{
  "id": "atmospheric-chemical-reaction-rates",
  "name": "Atmospheric Chemical Reaction Rates",
  "title": "Atmospheric Chemical Reaction Rates",
  "description": "Reaction rate data for 1,683 organic compounds in gas-phase atmospheric reactions, with compound name, molecular weight, formula, and reaction constants.",
  "category": "science",
  "source": "https://github.com/vincentarelbundock/Rdatasets",
  "source_url": "https://github.com/vincentarelbundock/Rdatasets",
  "updated": "2026-04",
  "record_count": 1683,
  "columns": [
    {
      "key": "cmpd_name",
      "label": "Cmpd Name",
      "type": "string"
    },
    {
      "key": "cmpd_mwt",
      "label": "Cmpd Mwt",
      "type": "number"
    },
    {
      "key": "cmpd_formula",
      "label": "Cmpd Formula",
      "type": "string"
    },
    {
      "key": "cmpd_type",
      "label": "Cmpd Type",
      "type": "string"
    },
    {
      "key": "cmpd_smiles",
      "label": "Cmpd Smiles",
      "type": "string"
    },
    {
      "key": "cmpd_inchi",
      "label": "Cmpd Inchi",
      "type": "string"
    },
    {
      "key": "cmpd_inchikey",
      "label": "Cmpd Inchikey",
      "type": "string"
    },
    {
      "key": "OH_k298",
      "label": "OH K298",
      "type": "string"
    },
    {
      "key": "OH_uncert",
      "label": "OH Uncert",
      "type": "number"
    },
    {
      "key": "OH_u_fac",
      "label": "OH U Fac",
      "type": "number"
    },
    {
      "key": "OH_A",
      "label": "OH A",
      "type": "string"
    },
    {
      "key": "OH_B",
      "label": "OH B",
      "type": "string"
    },
    {
      "key": "OH_n",
      "label": "OH N",
      "type": "string"
    },
    {
      "key": "OH_t_low",
      "label": "OH T Low",
      "type": "number"
    },
    {
      "key": "OH_t_high",
      "label": "OH T High",
      "type": "number"
    },
    {
      "key": "O3_k298",
      "label": "O3 K298",
      "type": "string"
    },
    {
      "key": "O3_uncert",
      "label": "O3 Uncert",
      "type": "number"
    },
    {
      "key": "O3_u_fac",
      "label": "O3 U Fac",
      "type": "number"
    },
    {
      "key": "O3_A",
      "label": "O3 A",
      "type": "string"
    },
    {
      "key": "O3_B",
      "label": "O3 B",
      "type": "number"
    },
    {
      "key": "O3_n",
      "label": "O3 N",
      "type": "string"
    },
    {
      "key": "O3_t_low",
      "label": "O3 T Low",
      "type": "number"
    },
    {
      "key": "O3_t_high",
      "label": "O3 T High",
      "type": "number"
    },
    {
      "key": "NO3_k298",
      "label": "NO3 K298",
      "type": "string"
    },
    {
      "key": "NO3_uncert",
      "label": "NO3 Uncert",
      "type": "number"
    },
    {
      "key": "NO3_u_fac",
      "label": "NO3 U Fac",
      "type": "number"
    },
    {
      "key": "NO3_A",
      "label": "NO3 A",
      "type": "string"
    },
    {
      "key": "NO3_B",
      "label": "NO3 B",
      "type": "number"
    },
    {
      "key": "NO3_n",
      "label": "NO3 N",
      "type": "string"
    },
    {
      "key": "NO3_t_low",
      "label": "NO3 T Low",
      "type": "number"
    },
    {
      "key": "NO3_t_high",
      "label": "NO3 T High",
      "type": "number"
    },
    {
      "key": "Cl_k298",
      "label": "Cl K298",
      "type": "string"
    },
    {
      "key": "Cl_uncert",
      "label": "Cl Uncert",
      "type": "number"
    },
    {
      "key": "Cl_u_fac",
      "label": "Cl U Fac",
      "type": "number"
    },
    {
      "key": "Cl_A",
      "label": "Cl A",
      "type": "string"
    },
    {
      "key": "Cl_B",
      "label": "Cl B",
      "type": "number"
    },
    {
      "key": "Cl_n",
      "label": "Cl N",
      "type": "number"
    },
    {
      "key": "Cl_t_low",
      "label": "Cl T Low",
      "type": "number"
    },
    {
      "key": "Cl_t_high",
      "label": "Cl T High",
      "type": "number"
    }
  ],
  "rows": [
    {
      "cmpd_name": "methane",
      "cmpd_mwt": "16.04",
      "cmpd_formula": "CH4",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "C",
      "cmpd_inchi": "InChI=1S/CH4/h1H4",
      "cmpd_inchikey": "VNWKTOKETHGBQD-UHFFFAOYSA-N",
      "OH_k298": "6.36e-15",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "3.62e-13",
      "OH_B": "1200.34866000493",
      "OH_n": "2.17993581535803",
      "OH_t_low": "200",
      "OH_t_high": "2025",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1e-13",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "6.6e-12",
      "Cl_B": "1240",
      "Cl_n": "",
      "Cl_t_low": "200",
      "Cl_t_high": "300"
    },
    {
      "cmpd_name": "formaldehyde",
      "cmpd_mwt": "30.03",
      "cmpd_formula": "CH2O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "C=O",
      "cmpd_inchi": "InChI=1S/CH2O/c1-2/h1H2",
      "cmpd_inchikey": "WSFSSNUMVMOOMR-UHFFFAOYSA-N",
      "OH_k298": "8.5e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "5.4e-12",
      "OH_B": "-135",
      "OH_n": "",
      "OH_t_low": "200",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.5e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "1.6",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.2e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "8.1e-11",
      "Cl_B": "34",
      "Cl_n": "",
      "Cl_t_low": "200",
      "Cl_t_high": "500"
    },
    {
      "cmpd_name": "methanol",
      "cmpd_mwt": "32.04",
      "cmpd_formula": "CH4O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CO",
      "cmpd_inchi": "InChI=1S/CH4O/c1-2/h2H,1H3",
      "cmpd_inchikey": "OKKJLVBELUTLKV-UHFFFAOYSA-N",
      "OH_k298": "8.78e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.32e-13",
      "OH_B": "-402",
      "OH_n": "2.72",
      "OH_t_low": "210",
      "OH_t_high": "1344",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.3e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "3",
      "NO3_A": "9.4e-13",
      "NO3_B": "2650",
      "NO3_n": "",
      "NO3_t_low": "250",
      "NO3_t_high": "370",
      "Cl_k298": "5.1e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "5.1e-11",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "225",
      "Cl_t_high": "950"
    },
    {
      "cmpd_name": "fluoromethane",
      "cmpd_mwt": "34.03",
      "cmpd_formula": "CH3F",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CF",
      "cmpd_inchi": "InChI=1S/CH3F/c1-2/h1H3",
      "cmpd_inchikey": "NBVXSUQYWXRMNV-UHFFFAOYSA-N",
      "OH_k298": "1.97e-14",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.99e-13",
      "OH_B": "685.420420882062",
      "OH_n": "2.04018150946468",
      "OH_t_low": "240",
      "OH_t_high": "1800",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.6e-13",
      "Cl_uncert": "",
      "Cl_u_fac": "1.4",
      "Cl_A": "4.9e-12",
      "Cl_B": "781",
      "Cl_n": "",
      "Cl_t_low": "200",
      "Cl_t_high": "300"
    },
    {
      "cmpd_name": "formic acid",
      "cmpd_mwt": "46.03",
      "cmpd_formula": "CH2O2",
      "cmpd_type": "carboxylic acid",
      "cmpd_smiles": "OC=O",
      "cmpd_inchi": "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)",
      "cmpd_inchikey": "BDAGIHXWWSANSR-UHFFFAOYSA-N",
      "OH_k298": "4.5e-13",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "4.5e-13",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "450",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.9e-13",
      "Cl_uncert": "",
      "Cl_u_fac": "1.4",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "formyl fluoride",
      "cmpd_mwt": "48.02",
      "cmpd_formula": "CHOF",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "FC=O",
      "cmpd_inchi": "InChI=1S/CHFO/c2-1-3/h1H",
      "cmpd_inchikey": "NHGVZTMBVDFPHJ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.9e-15",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl hydroperoxide",
      "cmpd_mwt": "48.04",
      "cmpd_formula": "CH4O2",
      "cmpd_type": "hydroperoxide",
      "cmpd_smiles": "COO",
      "cmpd_inchi": "InChI=1S/CH4O2/c1-3-2/h2H,1H3",
      "cmpd_inchikey": "MEUKEBNAABNAEX-UHFFFAOYSA-N",
      "OH_k298": "1e-11",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "5.3e-12",
      "OH_B": "-190",
      "OH_n": "",
      "OH_t_low": "220",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.9e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "3",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chloromethane",
      "cmpd_mwt": "50.49",
      "cmpd_formula": "CH3Cl",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCl",
      "cmpd_inchi": "InChI=1S/CH3Cl/c1-2/h1H3",
      "cmpd_inchikey": "NEHMKBQYUWJMIP-UHFFFAOYSA-N",
      "OH_k298": "3.6e-14",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.1e-12",
      "OH_B": "1210",
      "OH_n": "",
      "OH_t_low": "220",
      "OH_t_high": "330",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.89e-13",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "4.32e-12",
      "Cl_B": "646.4",
      "Cl_n": "1.3057",
      "Cl_t_low": "222",
      "Cl_t_high": "843"
    },
    {
      "cmpd_name": "difluoromethane",
      "cmpd_mwt": "52.02",
      "cmpd_formula": "CH2F2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FCF",
      "cmpd_inchi": "InChI=1S/CH2F2/c2-1-3/h1H2",
      "cmpd_inchikey": "RWRIWBAIICGTTQ-UHFFFAOYSA-N",
      "OH_k298": "1.05e-14",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.21e-13",
      "OH_B": "904.359277590058",
      "OH_n": "1.86009090193626",
      "OH_t_low": "220",
      "OH_t_high": "1800",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.3e-14",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "6.93e-12",
      "Cl_B": "1591",
      "Cl_n": "",
      "Cl_t_low": "250",
      "Cl_t_high": "300"
    },
    {
      "cmpd_name": "nitromethane",
      "cmpd_mwt": "61.04",
      "cmpd_formula": "CH3NO2",
      "cmpd_type": "nitro organic",
      "cmpd_smiles": "[O-][N+](=O)C",
      "cmpd_inchi": "InChI=1S/CH3NO2/c1-2(3)4/h1H3",
      "cmpd_inchikey": "LYGJENNIWJXYER-UHFFFAOYSA-N",
      "OH_k298": "1.4e-14",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "5.8e-13",
      "OH_B": "1102",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "671",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl nitrite",
      "cmpd_mwt": "61.04",
      "cmpd_formula": "CH3NO2",
      "cmpd_type": "nitrite",
      "cmpd_smiles": "CON=O",
      "cmpd_inchi": "InChI=1S/CH3NO2/c1-4-2-3/h1H3",
      "cmpd_inchikey": "BLLFVUPNHCTMSV-UHFFFAOYSA-N",
      "OH_k298": "2.7e-13",
      "OH_uncert": "0.33",
      "OH_u_fac": "",
      "OH_A": "1e-10",
      "OH_B": "1764",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "393",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-12",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "formyl chloride",
      "cmpd_mwt": "64.47",
      "cmpd_formula": "CHOCl",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "ClC=O",
      "cmpd_inchi": "InChI=1S/CHClO/c2-1-3/h1H",
      "cmpd_inchikey": "GFAUNYMRSKVDJL-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.5e-13",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "1.12e-11",
      "Cl_B": "805",
      "Cl_n": "",
      "Cl_t_low": "220",
      "Cl_t_high": "330"
    },
    {
      "cmpd_name": "chloro(fluoro)methane",
      "cmpd_mwt": "68.48",
      "cmpd_formula": "CH2FCl",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FCCl",
      "cmpd_inchi": "InChI=1S/CH2ClF/c2-1-3/h1H2",
      "cmpd_inchikey": "XWCDCDSDNJVCLO-UHFFFAOYSA-N",
      "OH_k298": "3.9e-14",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.6e-12",
      "OH_B": "1105",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-13",
      "Cl_uncert": "",
      "Cl_u_fac": "2",
      "Cl_A": "6.8e-12",
      "Cl_B": "1230",
      "Cl_n": "",
      "Cl_t_low": "270",
      "Cl_t_high": "370"
    },
    {
      "cmpd_name": "trifluoromethane",
      "cmpd_mwt": "70.01",
      "cmpd_formula": "CHF3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(F)F",
      "cmpd_inchi": "InChI=1S/CHF3/c2-1(3)4/h1H",
      "cmpd_inchikey": "XPDWGBQVDMORPB-UHFFFAOYSA-N",
      "OH_k298": "2.98e-16",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "7.62e-14",
      "OH_B": "1648.66677577402",
      "OH_n": "1.85025752070787",
      "OH_t_low": "250",
      "OH_t_high": "1800",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl nitrate",
      "cmpd_mwt": "77.04",
      "cmpd_formula": "CH3NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC",
      "cmpd_inchi": "InChI=1S/CH3NO3/c1-5-2(3)4/h1H3",
      "cmpd_inchikey": "LRMHVVPPGGOAJQ-UHFFFAOYSA-N",
      "OH_k298": "2.3e-14",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "4e-13",
      "OH_B": "845",
      "OH_n": "",
      "OH_t_low": "220",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.4e-13",
      "Cl_uncert": "",
      "Cl_u_fac": "1.4",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dichloromethane",
      "cmpd_mwt": "84.93",
      "cmpd_formula": "CH2Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClCCl",
      "cmpd_inchi": "InChI=1S/CH2Cl2/c2-1-3/h1H2",
      "cmpd_inchikey": "YMWUJEATGCHHMB-UHFFFAOYSA-N",
      "OH_k298": "1e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.8e-12",
      "OH_B": "860",
      "OH_n": "",
      "OH_t_low": "210",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.4e-13",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "5.9e-12",
      "Cl_B": "850",
      "Cl_n": "",
      "Cl_t_low": "220",
      "Cl_t_high": "300"
    },
    {
      "cmpd_name": "trifluoromethanol",
      "cmpd_mwt": "86.01",
      "cmpd_formula": "CHOF3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(F)(F)F",
      "cmpd_inchi": "InChI=1S/CHF3O/c2-1(3,4)5/h5H",
      "cmpd_inchikey": "WZCZNEGTXVXAAS-UHFFFAOYSA-N",
      "OH_k298": "2e-17",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chloro(difluoro)methane",
      "cmpd_mwt": "86.47",
      "cmpd_formula": "CHF2Cl",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(Cl)F",
      "cmpd_inchi": "InChI=1S/CHClF2/c2-1(3)4/h1H",
      "cmpd_inchikey": "VOPWNXZWBYDODV-UHFFFAOYSA-N",
      "OH_k298": "4.7e-15",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "7.9e-13",
      "OH_B": "1530",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.7e-15",
      "Cl_uncert": "",
      "Cl_u_fac": "1.4",
      "Cl_A": "4.2e-12",
      "Cl_B": "2345",
      "Cl_n": "",
      "Cl_t_low": "290",
      "Cl_t_high": "430"
    },
    {
      "cmpd_name": "tetrafluoromethane",
      "cmpd_mwt": "88",
      "cmpd_formula": "CF4",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(F)(F)F",
      "cmpd_inchi": "InChI=1S/CF4/c2-1(3,4)5",
      "cmpd_inchikey": "TXEYQDLBPFQVAA-UHFFFAOYSA-N",
      "OH_k298": "4e-16",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bromomethane",
      "cmpd_mwt": "94.94",
      "cmpd_formula": "CH3Br",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CBr",
      "cmpd_inchi": "InChI=1S/CH3Br/c1-2/h1H3",
      "cmpd_inchikey": "GZUXJHMPEANEGY-UHFFFAOYSA-N",
      "OH_k298": "2.9e-14",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.7e-12",
      "OH_B": "1215",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.45e-13",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "1.46e-11",
      "Cl_B": "1040",
      "Cl_n": "",
      "Cl_t_low": "210",
      "Cl_t_high": "700"
    },
    {
      "cmpd_name": "dichloro(fluoro)methane",
      "cmpd_mwt": "102.92",
      "cmpd_formula": "CHFCl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(Cl)Cl",
      "cmpd_inchi": "InChI=1S/CHCl2F/c2-1(3)4/h1H",
      "cmpd_inchikey": "UMNKXPULIDJLSU-UHFFFAOYSA-N",
      "OH_k298": "2.9e-14",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.04e-12",
      "OH_B": "1065",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2e-14",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "4.84e-12",
      "Cl_B": "1636",
      "Cl_n": "",
      "Cl_t_low": "290",
      "Cl_t_high": "680"
    },
    {
      "cmpd_name": "chloro(trifluoro)methane",
      "cmpd_mwt": "104.46",
      "cmpd_formula": "CF3Cl",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(Cl)(F)F",
      "cmpd_inchi": "InChI=1S/CClF3/c2-1(3,4)5",
      "cmpd_inchikey": "AFYPFACVUDMOHA-UHFFFAOYSA-N",
      "OH_k298": "7e-16",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trichloromethane",
      "cmpd_mwt": "119.38",
      "cmpd_formula": "CHCl3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClC(Cl)Cl",
      "cmpd_inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H",
      "cmpd_inchikey": "HEDRZPFGACZZDS-UHFFFAOYSA-N",
      "OH_k298": "1.05e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.8e-12",
      "OH_B": "850",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-13",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "2.14e-12",
      "Cl_B": "884",
      "Cl_n": "",
      "Cl_t_low": "220",
      "Cl_t_high": "400"
    },
    {
      "cmpd_name": "dichloro(difluoro)methane",
      "cmpd_mwt": "120.91",
      "cmpd_formula": "CF2Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(Cl)(Cl)F",
      "cmpd_inchi": "InChI=1S/CCl2F2/c2-1(3,4)5",
      "cmpd_inchikey": "PXBRQCKWGAHEHS-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bromo(chloro)methane",
      "cmpd_mwt": "129.38",
      "cmpd_formula": "CH2ClBr",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClCBr",
      "cmpd_inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2",
      "cmpd_inchikey": "JPOXNPPZZKNXOV-UHFFFAOYSA-N",
      "OH_k298": "1.1e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.1e-12",
      "OH_B": "880",
      "OH_n": "",
      "OH_t_low": "277",
      "OH_t_high": "376",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.19e-13",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "1.2e-11",
      "Cl_B": "1000",
      "Cl_n": "",
      "Cl_t_low": "217",
      "Cl_t_high": "296"
    },
    {
      "cmpd_name": "bromo(difluoro)methane",
      "cmpd_mwt": "130.92",
      "cmpd_formula": "CHF2Br",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(Br)F",
      "cmpd_inchi": "InChI=1S/CHBrF2/c2-1(3)4/h1H",
      "cmpd_inchikey": "GRCDJFHYVYUNHM-UHFFFAOYSA-N",
      "OH_k298": "1e-14",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "7.9e-13",
      "OH_B": "1300",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "360",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.94e-15",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "4.23e-12",
      "Cl_B": "1871",
      "Cl_n": "",
      "Cl_t_low": "295",
      "Cl_t_high": "368"
    },
    {
      "cmpd_name": "trichloro(fluoro)methane",
      "cmpd_mwt": "137.37",
      "cmpd_formula": "CFCl3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(Cl)(Cl)Cl",
      "cmpd_inchi": "InChI=1S/CCl3F/c2-1(3,4)5",
      "cmpd_inchikey": "CYRMSUTZVYGINF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "iodomethane",
      "cmpd_mwt": "141.94",
      "cmpd_formula": "CH3I",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CI",
      "cmpd_inchi": "InChI=1S/CH3I/c1-2/h1H3",
      "cmpd_inchikey": "INQOMBQAUSQDDS-UHFFFAOYSA-N",
      "OH_k298": "7.2e-14",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "2.9e-12",
      "OH_B": "1100",
      "OH_n": "",
      "OH_t_low": "271",
      "OH_t_high": "423",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.1e-13",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.07e-12",
      "Cl_uncert": "",
      "Cl_u_fac": "2",
      "Cl_A": "2.78e-11",
      "Cl_B": "970.69590284318",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "694"
    },
    {
      "cmpd_name": "bromo(trifluoro)methane",
      "cmpd_mwt": "148.91",
      "cmpd_formula": "CF3Br",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(Br)(F)F",
      "cmpd_inchi": "InChI=1S/CBrF3/c2-1(3,4)5",
      "cmpd_inchikey": "RJCQBQGAPKAMLL-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tetrachloromethane",
      "cmpd_mwt": "153.82",
      "cmpd_formula": "CCl4",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClC(Cl)(Cl)Cl",
      "cmpd_inchi": "InChI=1S/CCl4/c2-1(3,4)5",
      "cmpd_inchikey": "VZGDMQKNWNREIO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bromo(dichloro)methane",
      "cmpd_mwt": "163.83",
      "cmpd_formula": "CHCl2Br",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClC(Br)Cl",
      "cmpd_inchi": "InChI=1S/CHBrCl2/c2-1(3)4/h1H",
      "cmpd_inchikey": "FMWLUWPQPKEARP-UHFFFAOYSA-N",
      "OH_k298": "1.7e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "9.4e-13",
      "OH_B": "510",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "330",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.5e-13",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "2.61e-12",
      "Cl_B": "852",
      "Cl_n": "",
      "Cl_t_low": "217",
      "Cl_t_high": "296"
    },
    {
      "cmpd_name": "bromo(chloro)difluoromethane",
      "cmpd_mwt": "165.36",
      "cmpd_formula": "CF2ClBr",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(Br)(Cl)F",
      "cmpd_inchi": "InChI=1S/CBrClF2/c2-1(3,4)5",
      "cmpd_inchikey": "MEXUFEQDCXZEON-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dibromomethane",
      "cmpd_mwt": "173.83",
      "cmpd_formula": "CH2Br2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "BrCBr",
      "cmpd_inchi": "InChI=1S/CH2Br2/c2-1-3/h1H2",
      "cmpd_inchikey": "FJBFPHVGVWTDIP-UHFFFAOYSA-N",
      "OH_k298": "1.1e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.5e-12",
      "OH_B": "775",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.3e-13",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "6.3e-12",
      "Cl_B": "800",
      "Cl_n": "",
      "Cl_t_low": "222",
      "Cl_t_high": "395"
    },
    {
      "cmpd_name": "trifluoro(iodo)methane",
      "cmpd_mwt": "195.91",
      "cmpd_formula": "CF3I",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(I)(F)F",
      "cmpd_inchi": "InChI=1S/CF3I/c2-1(3,4)5",
      "cmpd_inchikey": "VPAYJEUHKVESSD-UHFFFAOYSA-N",
      "OH_k298": "2.6e-14",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "2.1e-11",
      "OH_B": "2000",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dibromo(chloro)methane",
      "cmpd_mwt": "208.28",
      "cmpd_formula": "CHClBr2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClC(Br)Br",
      "cmpd_inchi": "InChI=1S/CHBr2Cl/c2-1(3)4/h1H",
      "cmpd_inchikey": "GATVIKZLVQHOMN-UHFFFAOYSA-N",
      "OH_k298": "2.2e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "9e-13",
      "OH_B": "420",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "330",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.11e-13",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dibromo(difluoro)methane",
      "cmpd_mwt": "209.82",
      "cmpd_formula": "CF2Br2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(Br)(Br)F",
      "cmpd_inchi": "InChI=1S/CBr2F2/c2-1(3,4)5",
      "cmpd_inchikey": "AZSZCFSOHXEJQE-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tribromomethane",
      "cmpd_mwt": "252.73",
      "cmpd_formula": "CHBr3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "BrC(Br)Br",
      "cmpd_inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H",
      "cmpd_inchikey": "DIKBFYAXUHHXCS-UHFFFAOYSA-N",
      "OH_k298": "2.7e-13",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "1e-12",
      "OH_B": "388",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.8e-13",
      "Cl_uncert": "0.27",
      "Cl_u_fac": "",
      "Cl_A": "4.85e-12",
      "Cl_B": "850",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "acetylene",
      "cmpd_mwt": "26.04",
      "cmpd_formula": "C2H2",
      "cmpd_type": "alkyne",
      "cmpd_smiles": "C#C",
      "cmpd_inchi": "InChI=1S/C2H2/c1-2/h1-2H",
      "cmpd_inchikey": "HSFWRNGVRCDJHI-UHFFFAOYSA-N",
      "OH_k298": "7.5e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1e-20",
      "O3_uncert": "",
      "O3_u_fac": "3",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.2e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "2",
      "Cl_A": "5.2e-11",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "200",
      "Cl_t_high": "400"
    },
    {
      "cmpd_name": "ethene",
      "cmpd_mwt": "28.05",
      "cmpd_formula": "C2H4",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "C=C",
      "cmpd_inchi": "InChI=1S/C2H4/c1-2/h1-2H2",
      "cmpd_inchikey": "VGGSQFUCUMXWEO-UHFFFAOYSA-N",
      "OH_k298": "8.52e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.96e-12",
      "OH_B": "-438",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "425",
      "O3_k298": "1.55e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "6.82e-15",
      "O3_B": "2500",
      "O3_n": "",
      "O3_t_low": "180",
      "O3_t_high": "360",
      "NO3_k298": "2.1e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "1.6",
      "NO3_A": "3.3e-12",
      "NO3_B": "2880",
      "NO3_n": "",
      "NO3_t_low": "270",
      "NO3_t_high": "340",
      "Cl_k298": "1e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "2",
      "Cl_A": "1e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "250",
      "Cl_t_high": "300"
    },
    {
      "cmpd_name": "ethane",
      "cmpd_mwt": "30.07",
      "cmpd_formula": "C2H6",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CC",
      "cmpd_inchi": "InChI=1S/C2H6/c1-2/h1-2H3",
      "cmpd_inchikey": "OTMSDBZUPAUEDD-UHFFFAOYSA-N",
      "OH_k298": "2.49e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.51e-12",
      "OH_B": "533",
      "OH_n": "1.92",
      "OH_t_low": "178",
      "OH_t_high": "1790",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.8e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "7.05e-11",
      "Cl_B": "60",
      "Cl_n": "",
      "Cl_t_low": "220",
      "Cl_t_high": "600"
    },
    {
      "cmpd_name": "ketene",
      "cmpd_mwt": "42.04",
      "cmpd_formula": "C2H2O",
      "cmpd_type": "ketene",
      "cmpd_smiles": "C=C=O",
      "cmpd_inchi": "InChI=1S/C2H2O/c1-2-3/h1H2",
      "cmpd_inchikey": "CCGKOQOJPYTBIH-UHFFFAOYSA-N",
      "OH_k298": "1.4e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.8e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "2.8e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "215",
      "Cl_t_high": "314"
    },
    {
      "cmpd_name": "oxirane",
      "cmpd_mwt": "44.05",
      "cmpd_formula": "C2H4O",
      "cmpd_type": "ether",
      "cmpd_smiles": "O1CC1",
      "cmpd_inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2",
      "cmpd_inchikey": "IAYPIBMASNFSPL-UHFFFAOYSA-N",
      "OH_k298": "9.1e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.63e-12",
      "OH_B": "856",
      "OH_n": "2",
      "OH_t_low": "298",
      "OH_t_high": "435",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.9e-12",
      "Cl_uncert": "0.24",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "acetaldehyde",
      "cmpd_mwt": "44.05",
      "cmpd_formula": "C2H4O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CC=O",
      "cmpd_inchi": "InChI=1S/C2H4O/c1-2-3/h2H,1H3",
      "cmpd_inchikey": "IKHGUXGNUITLKF-UHFFFAOYSA-N",
      "OH_k298": "1.49e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.4e-12",
      "OH_B": "-546",
      "OH_n": "0.77",
      "OH_t_low": "202",
      "OH_t_high": "672",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.7e-15",
      "NO3_uncert": "",
      "NO3_u_fac": "1.4",
      "NO3_A": "1.4e-12",
      "NO3_B": "1860",
      "NO3_n": "",
      "NO3_t_low": "260",
      "NO3_t_high": "380",
      "Cl_k298": "8e-11",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "8e-11",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "210",
      "Cl_t_high": "340"
    },
    {
      "cmpd_name": "fluoroethene",
      "cmpd_mwt": "46.04",
      "cmpd_formula": "C2H3F",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "FC=C",
      "cmpd_inchi": "InChI=1S/C2H3F/c1-2-3/h2H,1H2",
      "cmpd_inchikey": "XUCNUKMRBVNAPB-UHFFFAOYSA-N",
      "OH_k298": "4.97e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.41e-12",
      "OH_B": "-375.540698835882",
      "OH_n": "",
      "OH_t_low": "299",
      "OH_t_high": "328",
      "O3_k298": "7.31e-19",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "1.52e-15",
      "O3_B": "2280",
      "O3_n": "",
      "O3_t_low": "236",
      "O3_t_high": "308",
      "NO3_k298": "1.9e-16",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.84e-10",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethanol",
      "cmpd_mwt": "46.07",
      "cmpd_formula": "C2H6O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCO",
      "cmpd_inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3",
      "cmpd_inchikey": "LFQSCWFLJHTTHZ-UHFFFAOYSA-N",
      "OH_k298": "3.33e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "4.42e-13",
      "OH_B": "-606",
      "OH_n": "2.29",
      "OH_t_low": "216",
      "OH_t_high": "1297",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "6e-11",
      "Cl_B": "-155",
      "Cl_n": "",
      "Cl_t_low": "260",
      "Cl_t_high": "400"
    },
    {
      "cmpd_name": "methoxymethane",
      "cmpd_mwt": "46.07",
      "cmpd_formula": "C2H6O",
      "cmpd_type": "ether",
      "cmpd_smiles": "COC",
      "cmpd_inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3",
      "cmpd_inchikey": "LCGLNKUTAGEVQW-UHFFFAOYSA-N",
      "OH_k298": "2.76e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.2",
      "OH_A": "7.97e-13",
      "OH_B": "-373.977797858064",
      "OH_n": "2.25518896839884",
      "OH_t_low": "195",
      "OH_t_high": "1470",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.87e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "1.6",
      "NO3_A": "8.99e-13",
      "NO3_B": "2526",
      "NO3_n": "",
      "NO3_t_low": "273",
      "NO3_t_high": "373",
      "Cl_k298": "1.8e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "1.8e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "200",
      "Cl_t_high": "500"
    },
    {
      "cmpd_name": "fluoroethane",
      "cmpd_mwt": "48.06",
      "cmpd_formula": "C2H5F",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCF",
      "cmpd_inchi": "InChI=1S/C2H5F/c1-2-3/h2H2,1H3",
      "cmpd_inchikey": "UHCBBWUQDAVSMS-UHFFFAOYSA-N",
      "OH_k298": "2.1e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.7e-12",
      "OH_B": "765",
      "OH_n": "",
      "OH_t_low": "210",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.47e-12",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "2.11e-11",
      "Cl_B": "317",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "529"
    },
    {
      "cmpd_name": "glyoxal",
      "cmpd_mwt": "58.04",
      "cmpd_formula": "C2H2O2",
      "cmpd_type": "alpha-dicarbonyl",
      "cmpd_smiles": "O=CC=O",
      "cmpd_inchi": "InChI=1S/C2H2O2/c3-1-2-4/h1-2H",
      "cmpd_inchikey": "LEQAOMBKQFMDFZ-UHFFFAOYSA-N",
      "OH_k298": "9.21e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.83e-12",
      "OH_B": "-483",
      "OH_n": "0.79",
      "OH_t_low": "209",
      "OH_t_high": "391",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "1.4",
      "NO3_A": "4e-16",
      "NO3_B": "0",
      "NO3_n": "",
      "NO3_t_low": "290",
      "NO3_t_high": "350",
      "Cl_k298": "3.6e-11",
      "Cl_uncert": "0.39",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-methylformamide",
      "cmpd_mwt": "59.07",
      "cmpd_formula": "C2H5NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "CNC=O",
      "cmpd_inchi": "InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)",
      "cmpd_inchikey": "ATHHXGZTWNVVOU-UHFFFAOYSA-N",
      "OH_k298": "8.54e-12",
      "OH_uncert": "0.22",
      "OH_u_fac": "",
      "OH_A": "1.92e-12",
      "OH_B": "-445",
      "OH_n": "",
      "OH_t_low": "260",
      "OH_t_high": "295",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.6e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "acetic acid",
      "cmpd_mwt": "60.05",
      "cmpd_formula": "C2H4O2",
      "cmpd_type": "carboxylic acid",
      "cmpd_smiles": "CC(=O)O",
      "cmpd_inchi": "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)",
      "cmpd_inchikey": "QTBSBXVTEAMEQO-UHFFFAOYSA-N",
      "OH_k298": "7.48e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "8.97e-15",
      "OH_B": "-1322",
      "OH_n": "2",
      "OH_t_low": "229",
      "OH_t_high": "550",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.65e-14",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl formate",
      "cmpd_mwt": "60.05",
      "cmpd_formula": "C2H4O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "COC=O",
      "cmpd_inchi": "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3",
      "cmpd_inchikey": "TZIHFWKZFHZASV-UHFFFAOYSA-N",
      "OH_k298": "1.76e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.68e-14",
      "OH_B": "-568",
      "OH_n": "3.76",
      "OH_t_low": "233",
      "OH_t_high": "1344",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-12",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "glycolaldehyde",
      "cmpd_mwt": "60.05",
      "cmpd_formula": "C2H4O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "OCC=O",
      "cmpd_inchi": "InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2",
      "cmpd_inchikey": "WGCNASOHLSPBMP-UHFFFAOYSA-N",
      "OH_k298": "1.1e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.1e-11",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "233",
      "OH_t_high": "362",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.3e-11",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl hydroperoxide",
      "cmpd_mwt": "62.07",
      "cmpd_formula": "C2H6O2",
      "cmpd_type": "hydroperoxide",
      "cmpd_smiles": "CCOO",
      "cmpd_inchi": "InChI=1S/C2H6O2/c1-2-4-3/h3H,2H2,1H3",
      "cmpd_inchikey": "ILHIHKRJJMKBEE-UHFFFAOYSA-N",
      "OH_k298": "6e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-ethanediol",
      "cmpd_mwt": "62.07",
      "cmpd_formula": "C2H6O2",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OCCO",
      "cmpd_inchi": "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2",
      "cmpd_inchikey": "LYCAIKOWRPUZTN-UHFFFAOYSA-N",
      "OH_k298": "1.45e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chloroethene",
      "cmpd_mwt": "62.5",
      "cmpd_formula": "C2H3Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClC=C",
      "cmpd_inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2",
      "cmpd_inchikey": "BZHJMEDXRYGGRV-UHFFFAOYSA-N",
      "OH_k298": "7.55e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.54e-12",
      "OH_B": "-325",
      "OH_n": "",
      "OH_t_low": "289",
      "OH_t_high": "600",
      "O3_k298": "2.45e-19",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.9e-16",
      "NO3_uncert": "0.26",
      "NO3_u_fac": "",
      "NO3_A": "1.4e-13",
      "NO3_B": "1740",
      "NO3_n": "",
      "NO3_t_low": "266",
      "NO3_t_high": "367",
      "Cl_k298": "1.27e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1-difluoroethene",
      "cmpd_mwt": "64.03",
      "cmpd_formula": "C2H2F2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "FC(=C)F",
      "cmpd_inchi": "InChI=1S/C2H2F2/c1-2(3)4/h1H2",
      "cmpd_inchikey": "BQCIDUSAKPWEOX-UHFFFAOYSA-N",
      "OH_k298": "2.68e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.44e-12",
      "OH_B": "-185.216012959221",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "6.230000000000001e-21",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "4.91e-16",
      "O3_B": "3360",
      "O3_n": "",
      "O3_t_low": "236",
      "O3_t_high": "308",
      "NO3_k298": "1.3e-16",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-fluoroethanol",
      "cmpd_mwt": "64.06",
      "cmpd_formula": "C2H5OF",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "OCCF",
      "cmpd_inchi": "InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2",
      "cmpd_inchikey": "GGDYAKVUZMZKRV-UHFFFAOYSA-N",
      "OH_k298": "1.5e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.57e-12",
      "OH_B": "330",
      "OH_n": "",
      "OH_t_low": "238",
      "OH_t_high": "355",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2e-11",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "6.59e-11",
      "Cl_B": "351",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "chloroethane",
      "cmpd_mwt": "64.51",
      "cmpd_formula": "C2H5Cl",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCCl",
      "cmpd_inchi": "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3",
      "cmpd_inchikey": "HRYZWHHZPQKTII-UHFFFAOYSA-N",
      "OH_k298": "3.7e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "4.25e-12",
      "OH_B": "727",
      "OH_n": "",
      "OH_t_low": "220",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.32e-12",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "2.41e-11",
      "Cl_B": "316",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "550"
    },
    {
      "cmpd_name": "1,1-difluoroethane",
      "cmpd_mwt": "66.05",
      "cmpd_formula": "C2H4F2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "CC(F)F",
      "cmpd_inchi": "InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3",
      "cmpd_inchikey": "NPNPZTNLOVBDOC-UHFFFAOYSA-N",
      "OH_k298": "3.6e-14",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.25e-12",
      "OH_B": "1070",
      "OH_n": "",
      "OH_t_low": "210",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.49e-13",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "6.74e-12",
      "Cl_B": "982",
      "Cl_n": "",
      "Cl_t_low": "280",
      "Cl_t_high": "360"
    },
    {
      "cmpd_name": "1,2-difluoroethane",
      "cmpd_mwt": "66.05",
      "cmpd_formula": "C2H4F2",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "FCCF",
      "cmpd_inchi": "InChI=1S/C2H4F2/c3-1-2-4/h1-2H2",
      "cmpd_inchikey": "AHFMSNDOYCFEPH-UHFFFAOYSA-N",
      "OH_k298": "1e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.5e-12",
      "OH_B": "800",
      "OH_n": "",
      "OH_t_low": "210",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7e-13",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "2.5e-11",
      "Cl_B": "1065",
      "Cl_n": "",
      "Cl_t_low": "280",
      "Cl_t_high": "360"
    },
    {
      "cmpd_name": "nitroethene",
      "cmpd_mwt": "73.05",
      "cmpd_formula": "C2H3NO2",
      "cmpd_type": "unsaturated nitro compound",
      "cmpd_smiles": "[O-][N+](=O)C=C",
      "cmpd_inchi": "InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2",
      "cmpd_inchikey": "RPMXALUWKZHYOV-UHFFFAOYSA-N",
      "OH_k298": "1.2e-12",
      "OH_uncert": "0.33",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-nitrosodimethylamine",
      "cmpd_mwt": "74.08",
      "cmpd_formula": "C2H6N2O",
      "cmpd_type": "amine",
      "cmpd_smiles": "O=NN(C)C",
      "cmpd_inchi": "InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3",
      "cmpd_inchikey": "UMFJAHHVKNCGLG-UHFFFAOYSA-N",
      "OH_k298": "2.3e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.47e-16",
      "NO3_uncert": "0.16",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "nitroethane",
      "cmpd_mwt": "75.07",
      "cmpd_formula": "C2H5NO2",
      "cmpd_type": "nitro organic",
      "cmpd_smiles": "[O-][N+](=O)CC",
      "cmpd_inchi": "InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3",
      "cmpd_inchikey": "MCSAJNNLRCFZED-UHFFFAOYSA-N",
      "OH_k298": "7.1e-14",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.7e-12",
      "OH_B": "934",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.9e-13",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl nitrite",
      "cmpd_mwt": "75.07",
      "cmpd_formula": "C2H5NO2",
      "cmpd_type": "nitrite",
      "cmpd_smiles": "CCON=O",
      "cmpd_inchi": "InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3",
      "cmpd_inchikey": "QQZWEECEMNQSTG-UHFFFAOYSA-N",
      "OH_k298": "6.7e-13",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "peracetic acid",
      "cmpd_mwt": "76.05",
      "cmpd_formula": "C2H4O3",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "CC(=O)OO",
      "cmpd_inchi": "InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3",
      "cmpd_inchikey": "KFSLWBXXFJQRDL-UHFFFAOYSA-N",
      "OH_k298": "3e-14",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl carbonofluoridate",
      "cmpd_mwt": "78.04",
      "cmpd_formula": "C2H3O2F",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "COC(=O)F",
      "cmpd_inchi": "InChI=1S/C2H3FO2/c1-5-2(3)4/h1H3",
      "cmpd_inchikey": "YGJMWVCEUNWDOU-UHFFFAOYSA-N",
      "OH_k298": "2.55e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "2.12e-13",
      "OH_B": "631",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloroacetaldehyde",
      "cmpd_mwt": "78.5",
      "cmpd_formula": "C2H3OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "ClCC=O",
      "cmpd_inchi": "InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2",
      "cmpd_inchikey": "QSKPIOLLBIHNAC-UHFFFAOYSA-N",
      "OH_k298": "3.1e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.31e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-difluoroacetaldehyde",
      "cmpd_mwt": "80.03",
      "cmpd_formula": "C2H2OF2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CC(F)F",
      "cmpd_inchi": "InChI=1S/C2H2F2O/c3-2(4)1-5/h1-2H",
      "cmpd_inchikey": "DKNMRIXYSHIIGC-UHFFFAOYSA-N",
      "OH_k298": "1.6e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.9e-17",
      "NO3_uncert": "0.29",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.6e-12",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloroethanol",
      "cmpd_mwt": "80.51",
      "cmpd_formula": "C2H5OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "OCCCl",
      "cmpd_inchi": "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2",
      "cmpd_inchikey": "SZIFAVKTNFCBPC-UHFFFAOYSA-N",
      "OH_k298": "1.28e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.1e-11",
      "Cl_uncert": "0.35",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trifluoroethene",
      "cmpd_mwt": "82.02",
      "cmpd_formula": "C2HF3",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "FC=C(F)F",
      "cmpd_inchi": "InChI=1S/C2HF3/c3-1-2(4)5/h1H",
      "cmpd_inchikey": "MIZLGWKEZAPEFJ-UHFFFAOYSA-N",
      "OH_k298": "8.13e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.89e-12",
      "OH_B": "-307.889129815142",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "9.76e-20",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "5.7e-16",
      "O3_B": "2580",
      "O3_n": "",
      "O3_t_low": "236",
      "O3_t_high": "308",
      "NO3_k298": "2e-16",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "difluoro(methoxy)methane",
      "cmpd_mwt": "82.05",
      "cmpd_formula": "C2H4OF2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(F)F",
      "cmpd_inchi": "InChI=1S/C2H4F2O/c1-5-2(3)4/h2H,1H3",
      "cmpd_inchikey": "CGZAMBNIGLUBRY-UHFFFAOYSA-N",
      "OH_k298": "3.5e-14",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "6e-12",
      "OH_B": "1530",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "460",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "fluoro(fluoromethoxy)methane",
      "cmpd_mwt": "82.05",
      "cmpd_formula": "C2H4OF2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FCOCF",
      "cmpd_inchi": "InChI=1S/C2H4F2O/c3-1-5-2-4/h1-2H2",
      "cmpd_inchikey": "SGAMQLNREKTWEK-UHFFFAOYSA-N",
      "OH_k298": "6e-14",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.6e-13",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-difluoroethanol",
      "cmpd_mwt": "82.05",
      "cmpd_formula": "C2H4OF2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCC(F)F",
      "cmpd_inchi": "InChI=1S/C2H4F2O/c3-2(4)1-5/h2,5H,1H2",
      "cmpd_inchikey": "VOGSDFLJZPNWHY-UHFFFAOYSA-N",
      "OH_k298": "2.7e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "3.98e-14",
      "OH_B": "-578",
      "OH_n": "4.25",
      "OH_t_low": "220",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.9e-12",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "2.53e-11",
      "Cl_B": "646",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "1,1,1-trifluoroethane",
      "cmpd_mwt": "84.04",
      "cmpd_formula": "C2H3F3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "CC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C2H3F3/c1-2(3,4)5/h1H3",
      "cmpd_inchikey": "UJPMYEOUBPIPHQ-UHFFFAOYSA-N",
      "OH_k298": "1.2e-15",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "9.2e-13",
      "OH_B": "1970",
      "OH_n": "",
      "OH_t_low": "220",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.2e-17",
      "Cl_uncert": "",
      "Cl_u_fac": "3",
      "Cl_A": "8.4e-12",
      "Cl_B": "3720",
      "Cl_n": "",
      "Cl_t_low": "280",
      "Cl_t_high": "370"
    },
    {
      "cmpd_name": "1,1,2-trifluoroethane",
      "cmpd_mwt": "84.04",
      "cmpd_formula": "C2H3F3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FCC(F)F",
      "cmpd_inchi": "InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2",
      "cmpd_inchikey": "WGZYQOSEVSXDNI-UHFFFAOYSA-N",
      "OH_k298": "1.5e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3.3e-12",
      "OH_B": "1610",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "330",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.99e-14",
      "Cl_uncert": "",
      "Cl_u_fac": "3",
      "Cl_A": "7.77e-12",
      "Cl_B": "1504",
      "Cl_n": "",
      "Cl_t_low": "280",
      "Cl_t_high": "370"
    },
    {
      "cmpd_name": "N,N-dimethylnitramide",
      "cmpd_mwt": "90.08",
      "cmpd_formula": "C2H6N2O2",
      "cmpd_type": "amine",
      "cmpd_smiles": "CN([N+](=O)[O-])C",
      "cmpd_inchi": "InChI=1S/C2H6N2O2/c1-3(2)4(5)6/h1-2H3",
      "cmpd_inchikey": "XRWKADIRZXTTLH-UHFFFAOYSA-N",
      "OH_k298": "3.5e-12",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.9e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "1.44e-10",
      "Cl_B": "603",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "353"
    },
    {
      "cmpd_name": "ethyl nitrate",
      "cmpd_mwt": "91.07",
      "cmpd_formula": "C2H5NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCC",
      "cmpd_inchi": "InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3",
      "cmpd_inchikey": "IDNUEBSJWINEMI-UHFFFAOYSA-N",
      "OH_k298": "1.8e-13",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "6.7e-13",
      "OH_B": "395",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.7e-12",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloro-2-fluoroacetaldehyde",
      "cmpd_mwt": "96.49",
      "cmpd_formula": "C2H2OFCl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C=O)Cl",
      "cmpd_inchi": "InChI=1S/C2H2ClFO/c3-2(4)1-5/h1-2H",
      "cmpd_inchikey": "AVAHZUUYBFUOPN-UHFFFAOYSA-N",
      "OH_k298": "2.1e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1,2-dichloroethene",
      "cmpd_mwt": "96.94",
      "cmpd_formula": "C2H2Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Cl/C=C\\Cl",
      "cmpd_inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-",
      "cmpd_inchikey": "KFUSEUYYWQURPO-UPHRSURJSA-N",
      "OH_k298": "2.26e-12",
      "OH_uncert": "0.22",
      "OH_u_fac": "",
      "OH_A": "1.78e-12",
      "OH_B": "-70",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "400",
      "O3_k298": "4.77e-21",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "1.19e-15",
      "O3_B": "3704",
      "O3_n": "",
      "O3_t_low": "315",
      "O3_t_high": "382",
      "NO3_k298": "1.5e-16",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.9e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "6.09e-12",
      "Cl_B": "-799",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "348"
    },
    {
      "cmpd_name": "(E)-1,2-Dichloroethene",
      "cmpd_mwt": "96.94",
      "cmpd_formula": "C2H2Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Cl/C=C/Cl",
      "cmpd_inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+",
      "cmpd_inchikey": "KFUSEUYYWQURPO-OWOJBTEDSA-N",
      "OH_k298": "2.16e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "9.96e-13",
      "OH_B": "-230",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "720",
      "O3_k298": "9.1e-20",
      "O3_uncert": "0.17",
      "O3_u_fac": "",
      "O3_A": "1.05e-15",
      "O3_B": "2788",
      "O3_n": "",
      "O3_t_low": "301",
      "O3_t_high": "394",
      "NO3_k298": "1.11e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "1.75",
      "NO3_A": "7.8e-13",
      "NO3_B": "2640",
      "NO3_n": "",
      "NO3_t_low": "293",
      "NO3_t_high": "373",
      "Cl_k298": "7.9e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "2.6e-12",
      "Cl_B": "-1018",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "348"
    },
    {
      "cmpd_name": "1,1-dichloroethene",
      "cmpd_mwt": "96.94",
      "cmpd_formula": "C2H2Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClC(=C)Cl",
      "cmpd_inchi": "InChI=1S/C2H2Cl2/c1-2(3)4/h1H2",
      "cmpd_inchikey": "LGXVIGDEPROXKC-UHFFFAOYSA-N",
      "OH_k298": "1.05e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.17e-12",
      "OH_B": "-470",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "750",
      "O3_k298": "4.9e-21",
      "O3_uncert": "0.41",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.53e-15",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.34e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "1.07e-11",
      "Cl_B": "-758",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "348"
    },
    {
      "cmpd_name": "2,2,2-trifluoroacetaldehyde",
      "cmpd_mwt": "98.02",
      "cmpd_formula": "C2HOF3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C2HF3O/c3-2(4,5)1-6/h1H",
      "cmpd_inchikey": "JVTSHOJDBRTPHD-UHFFFAOYSA-N",
      "OH_k298": "5.8e-13",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "2.05e-12",
      "OH_B": "378",
      "OH_n": "",
      "OH_t_low": "252",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-12",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1-dichloroethane",
      "cmpd_mwt": "98.96",
      "cmpd_formula": "C2H4Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "CC(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3",
      "cmpd_inchikey": "SCYULBFZEHDVBN-UHFFFAOYSA-N",
      "OH_k298": "2.7e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2e-12",
      "OH_B": "596",
      "OH_n": "",
      "OH_t_low": "294",
      "OH_t_high": "800",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.29e-12",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "3.7e-11",
      "Cl_B": "1001",
      "Cl_n": "",
      "Cl_t_low": "293",
      "Cl_t_high": "378"
    },
    {
      "cmpd_name": "1,2-dichloroethane",
      "cmpd_mwt": "98.96",
      "cmpd_formula": "C2H4Cl2",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "ClCCCl",
      "cmpd_inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2",
      "cmpd_inchikey": "WSLDOOZREJYCGB-UHFFFAOYSA-N",
      "OH_k298": "2.4e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "8.69e-12",
      "OH_B": "1070",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "360",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.45e-12",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "1.99e-11",
      "Cl_B": "777",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "529"
    },
    {
      "cmpd_name": "tetrafluoroethene",
      "cmpd_mwt": "100.02",
      "cmpd_formula": "C2F4",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "FC(=C(F)F)F",
      "cmpd_inchi": "InChI=1S/C2F4/c3-1(4)2(5)6",
      "cmpd_inchikey": "BFKJFAAPBSQJPD-UHFFFAOYSA-N",
      "OH_k298": "1.04e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "3.84e-12",
      "OH_B": "-297",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "500",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trifluoro(methoxy)methane",
      "cmpd_mwt": "100.04",
      "cmpd_formula": "C2H3OF3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3",
      "cmpd_inchikey": "JRHMNRMPVRXNOS-UHFFFAOYSA-N",
      "OH_k298": "1.2e-14",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.84e-12",
      "OH_B": "1500",
      "OH_n": "",
      "OH_t_low": "268",
      "OH_t_high": "381",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.3e-13",
      "Cl_uncert": "0.31",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,2-trifluoroethanol",
      "cmpd_mwt": "100.04",
      "cmpd_formula": "C2H3OF3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2",
      "cmpd_inchikey": "RHQDFWAXVIIEBN-UHFFFAOYSA-N",
      "OH_k298": "1.05e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2e-12",
      "OH_B": "875",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.3e-13",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "7.5e-12",
      "Cl_B": "739",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "1-chloro-1,1-difluoroethane",
      "cmpd_mwt": "100.5",
      "cmpd_formula": "C2H3F2Cl",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "CC(Cl)(F)F",
      "cmpd_inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3",
      "cmpd_inchikey": "BHNZEZWIUMJCGF-UHFFFAOYSA-N",
      "OH_k298": "3e-15",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "8.5e-13",
      "OH_B": "1685",
      "OH_n": "",
      "OH_t_low": "220",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.1e-16",
      "Cl_uncert": "",
      "Cl_u_fac": "1.4",
      "Cl_A": "1.4e-12",
      "Cl_B": "2420",
      "Cl_n": "",
      "Cl_t_low": "296",
      "Cl_t_high": "440"
    },
    {
      "cmpd_name": "1,1,2,2-tetrafluoroethane",
      "cmpd_mwt": "102.03",
      "cmpd_formula": "C2H2F4",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(F)F)F",
      "cmpd_inchi": "InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2H",
      "cmpd_inchikey": "WXGNWUVNYMJENI-UHFFFAOYSA-N",
      "OH_k298": "6.1e-15",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.4e-12",
      "OH_B": "1620",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "360",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.2e-15",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "7.9e-12",
      "Cl_B": "2440",
      "Cl_n": "",
      "Cl_t_low": "280",
      "Cl_t_high": "360"
    },
    {
      "cmpd_name": "1,1,1,2-tetrafluoroethane",
      "cmpd_mwt": "102.03",
      "cmpd_formula": "C2H2F4",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2",
      "cmpd_inchikey": "LVGUZGTVOIAKKC-UHFFFAOYSA-N",
      "OH_k298": "4.6e-15",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "4.9e-13",
      "OH_B": "1395",
      "OH_n": "",
      "OH_t_low": "220",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-15",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "1.17e-12",
      "Cl_B": "1996",
      "Cl_n": "",
      "Cl_t_low": "250",
      "Cl_t_high": "330"
    },
    {
      "cmpd_name": "bromoethane",
      "cmpd_mwt": "108.97",
      "cmpd_formula": "C2H5Br",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCBr",
      "cmpd_inchi": "InChI=1S/C2H5Br/c1-2-3/h2H2,1H3",
      "cmpd_inchikey": "RDHPKYGYEGBMSE-UHFFFAOYSA-N",
      "OH_k298": "3.3e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "2.25e-12",
      "OH_B": "576",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.79e-12",
      "Cl_uncert": "0.28",
      "Cl_u_fac": "",
      "Cl_A": "3.17e-11",
      "Cl_B": "382.819701660731",
      "Cl_n": "",
      "Cl_t_low": "221",
      "Cl_t_high": "527"
    },
    {
      "cmpd_name": "2,2-dichloroacetaldehyde",
      "cmpd_mwt": "112.94",
      "cmpd_formula": "C2H2OCl2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CC(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H",
      "cmpd_inchikey": "NWQWQKUXRJYXFH-UHFFFAOYSA-N",
      "OH_k298": "2.4e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.31e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trifluoromethyl formate",
      "cmpd_mwt": "114.02",
      "cmpd_formula": "C2HO2F3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=COC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C2HF3O2/c3-2(4,5)7-1-6/h1H",
      "cmpd_inchikey": "XZHNVYDCJNNJEQ-UHFFFAOYSA-N",
      "OH_k298": "1.63e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.17e-12",
      "OH_B": "1274",
      "OH_n": "",
      "OH_t_low": "242",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.8e-15",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trifluoroacetic acid",
      "cmpd_mwt": "114.02",
      "cmpd_formula": "C2HO2F3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(=O)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)",
      "cmpd_inchikey": "DTQVDTLACAAQTR-UHFFFAOYSA-N",
      "OH_k298": "1.24e-13",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "1.24e-13",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "283",
      "OH_t_high": "348",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloro-2,2-difluoroacetaldehyde",
      "cmpd_mwt": "114.48",
      "cmpd_formula": "C2HOF2Cl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CC(Cl)(F)F",
      "cmpd_inchi": "InChI=1S/C2HClF2O/c3-2(4,5)1-6/h1H",
      "cmpd_inchikey": "PRGCVNDIGVIGBQ-UHFFFAOYSA-N",
      "OH_k298": "8.2e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.4e-12",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,2-trifluoroethane-1,1-diol",
      "cmpd_mwt": "116.04",
      "cmpd_formula": "C2H3O2F3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(C(F)(F)F)O",
      "cmpd_inchi": "InChI=1S/C2H3F3O2/c3-2(4,5)1(6)7/h1,6-7H",
      "cmpd_inchikey": "VGJWVEYTYIBXIA-UHFFFAOYSA-N",
      "OH_k298": "1.2e-13",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.8e-13",
      "Cl_uncert": "0.34",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chloro-1,2,2-trifluoroethene",
      "cmpd_mwt": "116.47",
      "cmpd_formula": "C2F3Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "FC(=C(F)F)Cl",
      "cmpd_inchi": "InChI=1S/C2ClF3/c3-1(4)2(5)6",
      "cmpd_inchikey": "UUAGAQFQZIEFAH-UHFFFAOYSA-N",
      "OH_k298": "7.4e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.06e-12",
      "OH_B": "-580",
      "OH_n": "",
      "OH_t_low": "297",
      "OH_t_high": "364",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1-dichloro-1-fluoroethane",
      "cmpd_mwt": "116.95",
      "cmpd_formula": "C2H3FCl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "CC(Cl)(Cl)F",
      "cmpd_inchi": "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3",
      "cmpd_inchikey": "FRCHKSNAZZFGCA-UHFFFAOYSA-N",
      "OH_k298": "5.8e-15",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "8.1e-13",
      "OH_B": "1470",
      "OH_n": "",
      "OH_t_low": "220",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-15",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "1.7e-12",
      "Cl_B": "2000",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "376"
    },
    {
      "cmpd_name": "difluoromethoxy(difluoro)methane",
      "cmpd_mwt": "118.03",
      "cmpd_formula": "C2H2OF4",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(F)F)F",
      "cmpd_inchi": "InChI=1S/C2H2F4O/c3-1(4)7-2(5)6/h1-2H",
      "cmpd_inchikey": "IOCGMLSHRBHNCM-UHFFFAOYSA-N",
      "OH_k298": "2.4e-15",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.1e-12",
      "OH_B": "1830",
      "OH_n": "",
      "OH_t_low": "251",
      "OH_t_high": "314",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.91e-16",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloro-1,1,1-trifluoroethane",
      "cmpd_mwt": "118.49",
      "cmpd_formula": "C2H2F3Cl",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2",
      "cmpd_inchikey": "CYXIKYKBLDZZNW-UHFFFAOYSA-N",
      "OH_k298": "1.4e-14",
      "OH_uncert": "",
      "OH_u_fac": "1.8",
      "OH_A": "4.9e-13",
      "OH_B": "1065",
      "OH_n": "",
      "OH_t_low": "260",
      "OH_t_high": "380",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.5e-15",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "1.83e-12",
      "Cl_B": "1680",
      "Cl_n": "",
      "Cl_t_low": "296",
      "Cl_t_high": "500"
    },
    {
      "cmpd_name": "pentafluoroethane",
      "cmpd_mwt": "120.02",
      "cmpd_formula": "C2HF5",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C2HF5/c3-1(4)2(5,6)7/h1H",
      "cmpd_inchikey": "GTLACDSXYULKMZ-UHFFFAOYSA-N",
      "OH_k298": "1.9e-15",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.4e-13",
      "OH_B": "1630",
      "OH_n": "",
      "OH_t_low": "220",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.6e-16",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "peroxyacetyl nitrate",
      "cmpd_mwt": "121.05",
      "cmpd_formula": "C2H3NO5",
      "cmpd_type": "PAN compound",
      "cmpd_smiles": "[O-][N+](=O)OOC(=O)C",
      "cmpd_inchi": "InChI=1S/C2H3NO5/c1-2(4)7-8-3(5)6/h1H3",
      "cmpd_inchikey": "VGQXTTSVLMQFHM-UHFFFAOYSA-N",
      "OH_k298": "3e-14",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dichloro-2-fluoroacetaldehyde",
      "cmpd_mwt": "130.93",
      "cmpd_formula": "C2HOFCl2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CC(Cl)(Cl)F",
      "cmpd_inchi": "InChI=1S/C2HCl2FO/c3-2(4,5)1-6/h1H",
      "cmpd_inchikey": "LAVNLOJEYZYMFK-UHFFFAOYSA-N",
      "OH_k298": "1.2e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.9e-11",
      "Cl_uncert": "0.31",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trichloroethene",
      "cmpd_mwt": "131.39",
      "cmpd_formula": "C2HCl3",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClC=C(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2HCl3/c3-1-2(4)5/h1H",
      "cmpd_inchikey": "XSTXAVWGXDQKEL-UHFFFAOYSA-N",
      "OH_k298": "2e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "3e-13",
      "OH_B": "-565",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "1.6e-10",
      "O3_B": "7842",
      "O3_n": "",
      "O3_t_low": "334",
      "O3_t_high": "388",
      "NO3_k298": "3.7e-16",
      "NO3_uncert": "0.49",
      "NO3_u_fac": "",
      "NO3_A": "8.1e-13",
      "NO3_B": "2295",
      "NO3_n": "",
      "NO3_t_low": "278",
      "NO3_t_high": "367",
      "Cl_k298": "7.7e-11",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "4.6e-12",
      "Cl_B": "-846",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "348"
    },
    {
      "cmpd_name": "1,1,1-trichloroethane",
      "cmpd_mwt": "133.4",
      "cmpd_formula": "C2H3Cl3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "CC(Cl)(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3",
      "cmpd_inchikey": "UOCLXMDMGBRAIB-UHFFFAOYSA-N",
      "OH_k298": "9.5e-15",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.2e-12",
      "OH_B": "1440",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9e-15",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "1.09e-12",
      "Cl_B": "1430",
      "Cl_n": "",
      "Cl_t_low": "250",
      "Cl_t_high": "430"
    },
    {
      "cmpd_name": "1,1,2-trichloroethane",
      "cmpd_mwt": "133.4",
      "cmpd_formula": "C2H3Cl3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClCC(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2",
      "cmpd_inchikey": "UBOXGVDOUJQMTN-UHFFFAOYSA-N",
      "OH_k298": "1.9e-13",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "3.55e-12",
      "OH_B": "868",
      "OH_n": "",
      "OH_t_low": "277",
      "OH_t_high": "850",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.66e-14",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "1.32e-11",
      "Cl_B": "1498",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "368"
    },
    {
      "cmpd_name": "1,2-dichloro-1,1-difluoroethane",
      "cmpd_mwt": "134.94",
      "cmpd_formula": "C2H2F2Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClCC(Cl)(F)F",
      "cmpd_inchi": "InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2",
      "cmpd_inchikey": "SKDFWEPBABSFMG-UHFFFAOYSA-N",
      "OH_k298": "1.7e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3.5e-12",
      "OH_B": "1585",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "350",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1-dichloro-1,2-difluoroethane",
      "cmpd_mwt": "134.94",
      "cmpd_formula": "C2H2F2Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FCC(Cl)(Cl)F",
      "cmpd_inchi": "InChI=1S/C2H2Cl2F2/c3-2(4,6)1-5/h1H2",
      "cmpd_inchikey": "OIQOUHIUUREZOM-UHFFFAOYSA-N",
      "OH_k298": "1.23e-14",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "8.2e-13",
      "OH_B": "1250",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "difluoromethoxy(trifluoro)methane",
      "cmpd_mwt": "136.02",
      "cmpd_formula": "C2HOF5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H",
      "cmpd_inchikey": "ACYQYBAHTSKBLM-UHFFFAOYSA-N",
      "OH_k298": "4.9e-16",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.6e-13",
      "OH_B": "2040",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "393",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.9e-17",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloro-1,1,1,2-tetrafluoroethane",
      "cmpd_mwt": "136.48",
      "cmpd_formula": "C2HF4Cl",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(F)(F)F)Cl",
      "cmpd_inchi": "InChI=1S/C2HClF4/c3-1(4)2(5,6)7/h1H",
      "cmpd_inchikey": "BOUGCJDAQLKBQH-UHFFFAOYSA-N",
      "OH_k298": "8.7e-15",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "3.5e-13",
      "OH_B": "1105",
      "OH_n": "",
      "OH_t_low": "210",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.7e-15",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "1.1e-12",
      "Cl_B": "1800",
      "Cl_n": "",
      "Cl_t_low": "270",
      "Cl_t_high": "380"
    },
    {
      "cmpd_name": "hexafluoroethane",
      "cmpd_mwt": "138.01",
      "cmpd_formula": "C2F6",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8",
      "cmpd_inchikey": "WMIYKQLTONQJES-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-bromo-1,1-difluoroethene",
      "cmpd_mwt": "142.93",
      "cmpd_formula": "C2HF2Br",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "BrC=C(F)F",
      "cmpd_inchi": "InChI=1S/C2HBrF2/c3-1-2(4)5/h1H",
      "cmpd_inchikey": "QZGNGBWAMYFUST-UHFFFAOYSA-N",
      "OH_k298": "4.5e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.3e-12",
      "OH_B": "-370",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,2-trichloroacetaldehyde",
      "cmpd_mwt": "147.39",
      "cmpd_formula": "C2HOCl3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CC(Cl)(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H",
      "cmpd_inchikey": "HFFLGKNGCAIQMO-UHFFFAOYSA-N",
      "OH_k298": "8e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.8e-12",
      "OH_B": "240",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "420",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.4e-12",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,2-trichloroethanol",
      "cmpd_mwt": "149.4",
      "cmpd_formula": "C2H3OCl3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCC(Cl)(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2",
      "cmpd_inchikey": "KPWDGTGXUYRARH-UHFFFAOYSA-N",
      "OH_k298": "2.5e-13",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3e-12",
      "Cl_uncert": "0.33",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dichloro-1,1,2-trifluoroethane",
      "cmpd_mwt": "152.93",
      "cmpd_formula": "C2HF3Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(Cl)(F)F)Cl",
      "cmpd_inchi": "InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H",
      "cmpd_inchikey": "YMRMDGSNYHCUCL-UHFFFAOYSA-N",
      "OH_k298": "1.2e-14",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "8.4e-13",
      "OH_B": "1255",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "460",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.09e-15",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "1.4e-11",
      "Cl_B": "2360",
      "Cl_n": "",
      "Cl_t_low": "263",
      "Cl_t_high": "313"
    },
    {
      "cmpd_name": "2,2-dichloro-1,1,1-trifluoroethane",
      "cmpd_mwt": "152.93",
      "cmpd_formula": "C2HF3Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClC(C(F)(F)F)Cl",
      "cmpd_inchi": "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H",
      "cmpd_inchikey": "OHMHBGPWCHTMQE-UHFFFAOYSA-N",
      "OH_k298": "3.6e-14",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "6.6e-13",
      "OH_B": "870",
      "OH_n": "",
      "OH_t_low": "210",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.28e-14",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "4.4e-12",
      "Cl_B": "1740",
      "Cl_n": "",
      "Cl_t_low": "270",
      "Cl_t_high": "380"
    },
    {
      "cmpd_name": "1-chloro-1,1,2,2,2-pentafluoroethane",
      "cmpd_mwt": "154.47",
      "cmpd_formula": "C2F5Cl",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(F)(F)F)(Cl)F",
      "cmpd_inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8",
      "cmpd_inchikey": "RFCAUADVODFSLZ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "iodoethane",
      "cmpd_mwt": "155.97",
      "cmpd_formula": "C2H5I",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCI",
      "cmpd_inchi": "InChI=1S/C2H5I/c1-2-3/h2H2,1H3",
      "cmpd_inchikey": "HVTICUPFWKNHNG-UHFFFAOYSA-N",
      "OH_k298": "3.4e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "5.7e-12",
      "OH_B": "840",
      "OH_n": "",
      "OH_t_low": "297",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.4e-13",
      "NO3_uncert": "0.17",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.97e-11",
      "Cl_uncert": "0.38",
      "Cl_u_fac": "",
      "Cl_A": "6.65e-11",
      "Cl_B": "363",
      "Cl_n": "",
      "Cl_t_low": "370",
      "Cl_t_high": "450"
    },
    {
      "cmpd_name": "1-bromo-1,2,2-trifluoroethene",
      "cmpd_mwt": "160.92",
      "cmpd_formula": "C2F3Br",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "FC(=C(F)F)Br",
      "cmpd_inchi": "InChI=1S/C2BrF3/c3-1(4)2(5)6",
      "cmpd_inchikey": "AYCANDRGVPTASA-UHFFFAOYSA-N",
      "OH_k298": "7.6e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2e-12",
      "OH_B": "-400",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-bromo-1,1,1-trifluoroethane",
      "cmpd_mwt": "162.94",
      "cmpd_formula": "C2H2F3Br",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "BrCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C2H2BrF3/c3-1-2(4,5)6/h1H2",
      "cmpd_inchikey": "TZNJHEHAYZJBHR-UHFFFAOYSA-N",
      "OH_k298": "1.6e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.4e-12",
      "OH_B": "1340",
      "OH_n": "",
      "OH_t_low": "280",
      "OH_t_high": "460",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tetrachloroethene",
      "cmpd_mwt": "165.83",
      "cmpd_formula": "C2Cl4",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClC(=C(Cl)Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2Cl4/c3-1(4)2(5)6",
      "cmpd_inchikey": "CYTYCFOTNPOANT-UHFFFAOYSA-N",
      "OH_k298": "1.6e-13",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "3.5e-12",
      "OH_B": "920",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "420",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "6e-4",
      "O3_B": "14059.8430700212",
      "O3_n": "",
      "O3_t_low": "369",
      "O3_t_high": "409",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.6e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2,2-tetrachloroethane",
      "cmpd_mwt": "167.85",
      "cmpd_formula": "C2H2Cl4",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClC(C(Cl)Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H",
      "cmpd_inchikey": "QPFMBZIOSGYJDE-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.91e-13",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2-trichloro-1,2-difluoroethane",
      "cmpd_mwt": "169.39",
      "cmpd_formula": "C2HF2Cl3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(Cl)(Cl)F)Cl",
      "cmpd_inchi": "InChI=1S/C2HCl3F2/c3-1(6)2(4,5)7/h1H",
      "cmpd_inchikey": "BQNSLJQRJAJITR-UHFFFAOYSA-N",
      "OH_k298": "1.6e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "7.85e-13",
      "OH_B": "1155",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "340",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,2-trichloro-1,1-difluoroethane",
      "cmpd_mwt": "169.39",
      "cmpd_formula": "C2HF2Cl3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClC(C(Cl)(F)F)Cl",
      "cmpd_inchi": "InChI=1S/C2HCl3F2/c3-1(4)2(5,6)7/h1H",
      "cmpd_inchikey": "FQAMAOOEZDRHHB-UHFFFAOYSA-N",
      "OH_k298": "5.1e-14",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "8.1e-13",
      "OH_B": "825",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "340",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dichloro-1,1,2,2-tetrafluoroethane",
      "cmpd_mwt": "170.92",
      "cmpd_formula": "C2F4Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(Cl)(F)F)(Cl)F",
      "cmpd_inchi": "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8",
      "cmpd_inchikey": "DDMOUSALMHHKOS-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-bromo-1,1,1,2-tetrafluoroethane",
      "cmpd_mwt": "180.93",
      "cmpd_formula": "C2HF4Br",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(F)(F)F)Br",
      "cmpd_inchi": "InChI=1S/C2HBrF4/c3-1(4)2(5,6)7/h1H",
      "cmpd_inchikey": "RZXZIZDRFQFCTA-UHFFFAOYSA-N",
      "OH_k298": "1.7e-14",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "8.1e-13",
      "OH_B": "1155",
      "OH_n": "",
      "OH_t_low": "279",
      "OH_t_high": "460",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2-trichloro-1,2,2-trifluoroethane",
      "cmpd_mwt": "187.38",
      "cmpd_formula": "C2F3Cl3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(Cl)(F)F)(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8",
      "cmpd_inchikey": "AJDIZQLSFPQPEY-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dibromoethane",
      "cmpd_mwt": "187.86",
      "cmpd_formula": "C2H4Br2",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "BrCCBr",
      "cmpd_inchi": "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2",
      "cmpd_inchikey": "PAAZPARNPHGIKF-UHFFFAOYSA-N",
      "OH_k298": "2.2e-13",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "7.69e-12",
      "OH_B": "1056",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.34e-12",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "2.51e-12",
      "Cl_B": "184",
      "Cl_n": "2",
      "Cl_t_low": "244",
      "Cl_t_high": "569"
    },
    {
      "cmpd_name": "1-bromo-2-chloro-1,1,2-trifluoroethane",
      "cmpd_mwt": "197.38",
      "cmpd_formula": "C2HF3ClBr",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(Br)(F)F)Cl",
      "cmpd_inchi": "InChI=1S/C2HBrClF3/c3-2(6,7)1(4)5/h1H",
      "cmpd_inchikey": "KFTODZKBBUMDQB-UHFFFAOYSA-N",
      "OH_k298": "1.4e-14",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "8.4e-13",
      "OH_B": "1220",
      "OH_n": "",
      "OH_t_low": "315",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-bromo-2-chloro-1,1,1-trifluoroethane",
      "cmpd_mwt": "197.38",
      "cmpd_formula": "C2HF3ClBr",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClC(C(F)(F)F)Br",
      "cmpd_inchi": "InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H",
      "cmpd_inchikey": "BCQZXOMGPXTTIC-UHFFFAOYSA-N",
      "OH_k298": "4.6e-14",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "1.2e-12",
      "OH_B": "970",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "460",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.01e-14",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "pentachloroethane",
      "cmpd_mwt": "202.29",
      "cmpd_formula": "C2HCl5",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClC(C(Cl)(Cl)Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H",
      "cmpd_inchikey": "BNIXVQGCZULYKV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.2e-14",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2,2-tetrachloro-1,2-difluoroethane",
      "cmpd_mwt": "203.83",
      "cmpd_formula": "C2F2Cl4",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(Cl)(Cl)F)(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8",
      "cmpd_inchikey": "UGCSPKPEHQEOSR-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dibromo-1,1,2,2-tetrafluoroethane",
      "cmpd_mwt": "259.82",
      "cmpd_formula": "C2F4Br2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(Br)(F)F)(Br)F",
      "cmpd_inchi": "InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8",
      "cmpd_inchikey": "KVBKAPANDHPRDG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "allene",
      "cmpd_mwt": "40.06",
      "cmpd_formula": "C3H4",
      "cmpd_type": "allene",
      "cmpd_smiles": "C=C=C",
      "cmpd_inchi": "InChI=1S/C3H4/c1-3-2/h1-2H2",
      "cmpd_inchikey": "IYABWNGZIDDRAK-UHFFFAOYSA-N",
      "OH_k298": "9.82e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "7.66e-12",
      "OH_B": "-74",
      "OH_n": "",
      "OH_t_low": "295",
      "OH_t_high": "500",
      "O3_k298": "1.85e-19",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "1.54e-15",
      "O3_B": "2690",
      "O3_n": "",
      "O3_t_low": "231",
      "O3_t_high": "298",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.38e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propyne",
      "cmpd_mwt": "40.06",
      "cmpd_formula": "C3H4",
      "cmpd_type": "alkyne",
      "cmpd_smiles": "CC#C",
      "cmpd_inchi": "InChI=1S/C3H4/c1-3-2/h1H,2H3",
      "cmpd_inchikey": "MWWATHDPGQKSAR-UHFFFAOYSA-N",
      "OH_k298": "5.4e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.43e-20",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.1e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "1.25e-11",
      "NO3_B": "3284",
      "NO3_n": "",
      "NO3_t_low": "295",
      "NO3_t_high": "473",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclopropane",
      "cmpd_mwt": "42.08",
      "cmpd_formula": "C3H6",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CC1",
      "cmpd_inchi": "InChI=1S/C3H6/c1-2-3-1/h1-3H2",
      "cmpd_inchikey": "LVZWSLJZHVFIQJ-UHFFFAOYSA-N",
      "OH_k298": "7.6e-14",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "6e-12",
      "OH_B": "1300",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "492",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-13",
      "Cl_uncert": "0.29",
      "Cl_u_fac": "",
      "Cl_A": "1.4e-10",
      "Cl_B": "2074",
      "Cl_n": "",
      "Cl_t_low": "300",
      "Cl_t_high": "450"
    },
    {
      "cmpd_name": "propene",
      "cmpd_mwt": "42.08",
      "cmpd_formula": "C3H6",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CC=C",
      "cmpd_inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3",
      "cmpd_inchikey": "QQONPFPTGQHPMA-UHFFFAOYSA-N",
      "OH_k298": "2.44e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.2e-11",
      "OH_B": "-210",
      "OH_n": "-0.62",
      "OH_t_low": "165",
      "OH_t_high": "608",
      "O3_k298": "1.05e-17",
      "O3_uncert": "",
      "O3_u_fac": "1.4",
      "O3_A": "5.77e-15",
      "O3_B": "1880",
      "O3_n": "",
      "O3_t_low": "230",
      "O3_t_high": "370",
      "NO3_k298": "9.5e-15",
      "NO3_uncert": "",
      "NO3_u_fac": "1.6",
      "NO3_A": "4.6e-13",
      "NO3_B": "1155",
      "NO3_n": "",
      "NO3_t_low": "290",
      "NO3_t_high": "430",
      "Cl_k298": "2.7e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "2",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propane",
      "cmpd_mwt": "44.1",
      "cmpd_formula": "C3H8",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCC",
      "cmpd_inchi": "InChI=1S/C3H8/c1-3-2/h3H2,1-2H3",
      "cmpd_inchikey": "ATUOYWHBWRKTHZ-UHFFFAOYSA-N",
      "OH_k298": "1.11e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2e-12",
      "OH_B": "172",
      "OH_n": "1.76",
      "OH_t_low": "190",
      "OH_t_high": "1294",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.2e-18",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "1.4e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "200",
      "Cl_t_high": "700"
    },
    {
      "cmpd_name": "acrolein",
      "cmpd_mwt": "56.06",
      "cmpd_formula": "C3H4O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "C=CC=O",
      "cmpd_inchi": "InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2",
      "cmpd_inchikey": "HGINCPLSRVDWNT-UHFFFAOYSA-N",
      "OH_k298": "2.17e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "7.1e-12",
      "OH_B": "-333",
      "OH_n": "",
      "OH_t_low": "243",
      "OH_t_high": "373",
      "O3_k298": "2.8e-19",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.1e-15",
      "NO3_uncert": "0.36",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.23e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl ketene",
      "cmpd_mwt": "56.06",
      "cmpd_formula": "C3H4O",
      "cmpd_type": "ketene",
      "cmpd_smiles": "CC=C=O",
      "cmpd_inchi": "InChI=1S/C3H4O/c1-2-3-4/h2H,1H3",
      "cmpd_inchikey": "UYLUJGRCKKSWHS-UHFFFAOYSA-N",
      "OH_k298": "7.2e-11",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-propyn-1-ol",
      "cmpd_mwt": "56.06",
      "cmpd_formula": "C3H4O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "OCC#C",
      "cmpd_inchi": "InChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2",
      "cmpd_inchikey": "TVDSBUOJIPERQY-UHFFFAOYSA-N",
      "OH_k298": "2.05e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.49e-10",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "oxetane",
      "cmpd_mwt": "58.08",
      "cmpd_formula": "C3H6O",
      "cmpd_type": "ether",
      "cmpd_smiles": "C1CCO1",
      "cmpd_inchi": "InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2",
      "cmpd_inchikey": "AHHWIHXENZJRFG-UHFFFAOYSA-N",
      "OH_k298": "1.03e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "acetone",
      "cmpd_mwt": "58.08",
      "cmpd_formula": "C3H6O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CC(=O)C",
      "cmpd_inchi": "InChI=1S/C3H6O/c1-3(2)4/h1-2H3",
      "cmpd_inchikey": "CSCPPACGZOOCGX-UHFFFAOYSA-N",
      "OH_k298": "1.87e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.97e-14",
      "OH_B": "-678",
      "OH_n": "3.88",
      "OH_t_low": "199",
      "OH_t_high": "1355",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-12",
      "Cl_uncert": "",
      "Cl_u_fac": "1.4",
      "Cl_A": "1.5e-11",
      "Cl_B": "590",
      "Cl_n": "",
      "Cl_t_low": "215",
      "Cl_t_high": "300"
    },
    {
      "cmpd_name": "methyl oxirane",
      "cmpd_mwt": "58.08",
      "cmpd_formula": "C3H6O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC1CO1",
      "cmpd_inchi": "InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3",
      "cmpd_inchikey": "GOOHAUXETOMSMM-UHFFFAOYSA-N",
      "OH_k298": "4.67e-13",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "4.67e-13",
      "OH_B": "-4.1158458e-10",
      "OH_n": "",
      "OH_t_low": "261",
      "OH_t_high": "335",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propanal",
      "cmpd_mwt": "58.08",
      "cmpd_formula": "C3H6O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CCC=O",
      "cmpd_inchi": "InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3",
      "cmpd_inchikey": "NBBJYMSMWIIQGU-UHFFFAOYSA-N",
      "OH_k298": "1.99e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "6.63e-13",
      "OH_B": "-1018",
      "OH_n": "1.99",
      "OH_t_low": "240",
      "OH_t_high": "1288",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.3e-15",
      "NO3_uncert": "",
      "NO3_u_fac": "1.4",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.25e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "2.8e-11",
      "Cl_B": "-453",
      "Cl_n": "",
      "Cl_t_low": "265",
      "Cl_t_high": "381"
    },
    {
      "cmpd_name": "methoxyethene",
      "cmpd_mwt": "58.08",
      "cmpd_formula": "C3H6O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "COC=C",
      "cmpd_inchi": "InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3",
      "cmpd_inchikey": "XJRBAMWJDBPFIM-UHFFFAOYSA-N",
      "OH_k298": "3.4e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "6.1e-12",
      "OH_B": "-511",
      "OH_n": "",
      "OH_t_low": "299",
      "OH_t_high": "427",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "7.2e-13",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-propen-1-ol",
      "cmpd_mwt": "58.08",
      "cmpd_formula": "C3H6O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "OCC=C",
      "cmpd_inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2",
      "cmpd_inchikey": "XXROGKLTLUQVRX-UHFFFAOYSA-N",
      "OH_k298": "5e-11",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "5.7e-12",
      "OH_B": "-650",
      "OH_n": "",
      "OH_t_low": "231",
      "OH_t_high": "373",
      "O3_k298": "1.6e-17",
      "O3_uncert": "0.19",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.3e-14",
      "NO3_uncert": "0.31",
      "NO3_u_fac": "",
      "NO3_A": "4.8e-14",
      "NO3_B": "378",
      "NO3_n": "",
      "NO3_t_low": "273",
      "NO3_t_high": "363",
      "Cl_k298": "2.85e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-fluoropropene",
      "cmpd_mwt": "60.07",
      "cmpd_formula": "C3H5F",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "FCC=C",
      "cmpd_inchi": "InChI=1S/C3H5F/c1-2-3-4/h2H,1,3H2",
      "cmpd_inchikey": "QCMKXHXKNIOBBC-UHFFFAOYSA-N",
      "OH_k298": "1.44e-11",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "4.36e-12",
      "OH_B": "-355.044215040715",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.9e-15",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "7.17e-12",
      "NO3_B": "2248",
      "NO3_n": "",
      "NO3_t_low": "296",
      "NO3_t_high": "430",
      "Cl_k298": "4.92e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-propanol",
      "cmpd_mwt": "60.1",
      "cmpd_formula": "C3H8O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CC(O)C",
      "cmpd_inchi": "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3",
      "cmpd_inchikey": "KFZMGEQAYNKOFK-UHFFFAOYSA-N",
      "OH_k298": "5.24e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "7.21e-13",
      "OH_B": "-594",
      "OH_n": "1.41",
      "OH_t_low": "220",
      "OH_t_high": "587",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.4e-15",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.7e-11",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-propanol",
      "cmpd_mwt": "60.1",
      "cmpd_formula": "C3H8O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCO",
      "cmpd_inchi": "InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3",
      "cmpd_inchikey": "BDERNNFJNOPAEC-UHFFFAOYSA-N",
      "OH_k298": "5.86e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "9.98e-13",
      "OH_B": "-531",
      "OH_n": "1.86",
      "OH_t_low": "237",
      "OH_t_high": "753",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.6e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "1.4",
      "Cl_A": "2.7e-11",
      "Cl_B": "-525",
      "Cl_n": "",
      "Cl_t_low": "270",
      "Cl_t_high": "350"
    },
    {
      "cmpd_name": "methoxyethane",
      "cmpd_mwt": "60.1",
      "cmpd_formula": "C3H8O",
      "cmpd_type": "ether",
      "cmpd_smiles": "COCC",
      "cmpd_inchi": "InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3",
      "cmpd_inchikey": "XOBKSJJDNFUZPF-UHFFFAOYSA-N",
      "OH_k298": "6.56e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.7e-13",
      "OH_B": "-1095",
      "OH_n": "3.26",
      "OH_t_low": "276",
      "OH_t_high": "753",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "7.81e-16",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.92e-10",
      "Cl_uncert": "0.4",
      "Cl_u_fac": "",
      "Cl_A": "2.92e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "274",
      "Cl_t_high": "345"
    },
    {
      "cmpd_name": "2-fluoropropane",
      "cmpd_mwt": "62.09",
      "cmpd_formula": "C3H7F",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CC(F)C",
      "cmpd_inchi": "InChI=1S/C3H7F/c1-3(2)4/h3H,1-2H3",
      "cmpd_inchikey": "PRNZBCYBKGCOFI-UHFFFAOYSA-N",
      "OH_k298": "5.8e-13",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "3e-12",
      "OH_B": "480",
      "OH_n": "",
      "OH_t_low": "288",
      "OH_t_high": "394",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylglyoxal",
      "cmpd_mwt": "72.06",
      "cmpd_formula": "C3H4O2",
      "cmpd_type": "alpha-dicarbonyl",
      "cmpd_smiles": "O=CC(=O)C",
      "cmpd_inchi": "InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3",
      "cmpd_inchikey": "AIJULSRZWUXGPQ-UHFFFAOYSA-N",
      "OH_k298": "1.19e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.27e-13",
      "OH_B": "-1183",
      "OH_n": "2",
      "OH_t_low": "211",
      "OH_t_high": "500",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5e-11",
      "Cl_uncert": "0.4",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "glycidaldehyde",
      "cmpd_mwt": "72.06",
      "cmpd_formula": "C3H4O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "C1OC1C=O",
      "cmpd_inchi": "InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2",
      "cmpd_inchikey": "IWYRWIUNAVNFPE-UHFFFAOYSA-N",
      "OH_k298": "1.6e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "acrylic acid",
      "cmpd_mwt": "72.06",
      "cmpd_formula": "C3H4O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "OC(=O)C=C",
      "cmpd_inchi": "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)",
      "cmpd_inchikey": "NIXOWILDQLNWCW-UHFFFAOYSA-N",
      "OH_k298": "1.7e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "7.05e-19",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.7e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N,N-dimethylformamide",
      "cmpd_mwt": "73.09",
      "cmpd_formula": "C3H7NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "O=CN(C)C",
      "cmpd_inchi": "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3",
      "cmpd_inchikey": "ZMXDDKWLCZADIW-UHFFFAOYSA-N",
      "OH_k298": "1.13e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "7.83e-13",
      "OH_B": "-794",
      "OH_n": "",
      "OH_t_low": "260",
      "OH_t_high": "295",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.8e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "8.8e-12",
      "NO3_B": "1553",
      "NO3_n": "",
      "NO3_t_low": "273",
      "NO3_t_high": "353",
      "Cl_k298": "1.7e-10",
      "Cl_uncert": "0.29",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-methylacetamide",
      "cmpd_mwt": "73.09",
      "cmpd_formula": "C3H7NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "CNC(=O)C",
      "cmpd_inchi": "InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)",
      "cmpd_inchikey": "OHLUUHNLEMFGTQ-UHFFFAOYSA-N",
      "OH_k298": "5.29e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.02e-12",
      "OH_B": "-490",
      "OH_n": "",
      "OH_t_low": "300",
      "OH_t_high": "384",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9e-11",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3-dioxolane",
      "cmpd_mwt": "74.08",
      "cmpd_formula": "C3H6O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "C1OCCO1",
      "cmpd_inchi": "InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2",
      "cmpd_inchikey": "WNXJIVFYUVYPPR-UHFFFAOYSA-N",
      "OH_k298": "1e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.65e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hydroxyacetone",
      "cmpd_mwt": "74.08",
      "cmpd_formula": "C3H6O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CC(=O)CO",
      "cmpd_inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3",
      "cmpd_inchikey": "XLSMFKSTNGKWQX-UHFFFAOYSA-N",
      "OH_k298": "5.87e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.44e-13",
      "OH_B": "-1110",
      "OH_n": "2.63",
      "OH_t_low": "230",
      "OH_t_high": "830",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.76e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "1.6e-11",
      "Cl_B": "-381.5",
      "Cl_n": "",
      "Cl_t_low": "281",
      "Cl_t_high": "350"
    },
    {
      "cmpd_name": "2-hydroxypropanal",
      "cmpd_mwt": "74.08",
      "cmpd_formula": "C3H6O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "CC(C=O)O",
      "cmpd_inchi": "InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3",
      "cmpd_inchikey": "BSABBBMNWQWLLU-UHFFFAOYSA-N",
      "OH_k298": "1.7e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propanoic acid",
      "cmpd_mwt": "74.08",
      "cmpd_formula": "C3H6O2",
      "cmpd_type": "carboxylic acid",
      "cmpd_smiles": "CCC(=O)O",
      "cmpd_inchi": "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)",
      "cmpd_inchikey": "XBDQKXXYIPTUBI-UHFFFAOYSA-N",
      "OH_k298": "1.2e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "1.2e-12",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "450",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.7e-12",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl formate",
      "cmpd_mwt": "74.08",
      "cmpd_formula": "C3H6O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCOC=O",
      "cmpd_inchi": "InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3",
      "cmpd_inchikey": "WBJINCZRORDGAQ-UHFFFAOYSA-N",
      "OH_k298": "8.75e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "8.1e-14",
      "OH_B": "-713",
      "OH_n": "2",
      "OH_t_low": "243",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.02e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl acetate",
      "cmpd_mwt": "74.08",
      "cmpd_formula": "C3H6O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "COC(=O)C",
      "cmpd_inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3",
      "cmpd_inchikey": "KXKVLQRXCPHEJC-UHFFFAOYSA-N",
      "OH_k298": "3.35e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "6.05e-15",
      "OH_B": "-1205",
      "OH_n": "4.47",
      "OH_t_low": "240",
      "OH_t_high": "1371",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.6e-12",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "8.66e-12",
      "Cl_B": "359",
      "Cl_n": "",
      "Cl_t_low": "265",
      "Cl_t_high": "383"
    },
    {
      "cmpd_name": "3-hydroxypropanal",
      "cmpd_mwt": "74.08",
      "cmpd_formula": "C3H6O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "OCCC=O",
      "cmpd_inchi": "InChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2",
      "cmpd_inchikey": "AKXKFZDCRYJKTF-UHFFFAOYSA-N",
      "OH_k298": "1.99e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-fluoroacetone",
      "cmpd_mwt": "76.07",
      "cmpd_formula": "C3H5OF",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CC(=O)CF",
      "cmpd_inchi": "InChI=1S/C3H5FO/c1-3(5)2-4/h2H2,1H3",
      "cmpd_inchikey": "MSWVMWGCNZQPIA-UHFFFAOYSA-N",
      "OH_k298": "2.15e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.3e-13",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-propanediol",
      "cmpd_mwt": "76.09",
      "cmpd_formula": "C3H8O2",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OCC(O)C",
      "cmpd_inchi": "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3",
      "cmpd_inchikey": "DNIAPMSPPWPWGF-UHFFFAOYSA-N",
      "OH_k298": "2.1e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methoxyethanol",
      "cmpd_mwt": "76.09",
      "cmpd_formula": "C3H8O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "COCCO",
      "cmpd_inchi": "InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3",
      "cmpd_inchikey": "XNWFRZJHXBZDAG-UHFFFAOYSA-N",
      "OH_k298": "1.2e-11",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "5.4e-13",
      "OH_B": "-938",
      "OH_n": "2",
      "OH_t_low": "240",
      "OH_t_high": "440",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethoxymethane",
      "cmpd_mwt": "76.09",
      "cmpd_formula": "C3H8O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "COCOC",
      "cmpd_inchi": "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3",
      "cmpd_inchikey": "NKDDWNXOKDWJAK-UHFFFAOYSA-N",
      "OH_k298": "4.54e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.74e-14",
      "OH_B": "-1532",
      "OH_n": "4.62",
      "OH_t_low": "231",
      "OH_t_high": "617",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-10",
      "Cl_uncert": "0.29",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloro-1-propene",
      "cmpd_mwt": "76.52",
      "cmpd_formula": "C3H5Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "CC(=C)Cl",
      "cmpd_inchi": "InChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3",
      "cmpd_inchikey": "PNLQPWWBHXMFCA-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.11e-19",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "1.7e-14",
      "O3_B": "3548",
      "O3_n": "",
      "O3_t_low": "294",
      "O3_t_high": "393",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-chloro-1-propene",
      "cmpd_mwt": "76.52",
      "cmpd_formula": "C3H5Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClCC=C",
      "cmpd_inchi": "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2",
      "cmpd_inchikey": "OSDWBNJEKMUWAV-UHFFFAOYSA-N",
      "OH_k298": "1.69e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.82e-12",
      "OH_B": "-540",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "371",
      "O3_k298": "1.79e-18",
      "O3_uncert": "0.39",
      "O3_u_fac": "",
      "O3_A": "1e-15",
      "O3_B": "1885",
      "O3_n": "",
      "O3_t_low": "278",
      "O3_t_high": "353",
      "NO3_k298": "5.52e-16",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.7e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloropropane",
      "cmpd_mwt": "78.54",
      "cmpd_formula": "C3H7Cl",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CC(Cl)C",
      "cmpd_inchi": "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3",
      "cmpd_inchikey": "ULYZAYCEDJDHCC-UHFFFAOYSA-N",
      "OH_k298": "6.9e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.35e-12",
      "OH_B": "365",
      "OH_n": "",
      "OH_t_low": "295",
      "OH_t_high": "353",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.97e-11",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "3.52e-11",
      "Cl_B": "184",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "529"
    },
    {
      "cmpd_name": "1-chloropropane",
      "cmpd_mwt": "78.54",
      "cmpd_formula": "C3H7Cl",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCCCl",
      "cmpd_inchi": "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3",
      "cmpd_inchikey": "SNMVRZFUUCLYTO-UHFFFAOYSA-N",
      "OH_k298": "9.8e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "5.8e-12",
      "OH_B": "530",
      "OH_n": "",
      "OH_t_low": "295",
      "OH_t_high": "353",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.99e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "6.73e-12",
      "Cl_B": "-597",
      "Cl_n": "1.81",
      "Cl_t_low": "298",
      "Cl_t_high": "550"
    },
    {
      "cmpd_name": "3-nitropropene",
      "cmpd_mwt": "87.08",
      "cmpd_formula": "C3H5NO2",
      "cmpd_type": "unsaturated nitro compound",
      "cmpd_smiles": "[O-][N+](=O)CC=C",
      "cmpd_inchi": "InChI=1S/C3H5NO2/c1-2-3-4(5)6/h2H,1,3H2",
      "cmpd_inchikey": "VLISOFDTMSFZPP-UHFFFAOYSA-N",
      "OH_k298": "1.22e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "pyruvic acid",
      "cmpd_mwt": "88.06",
      "cmpd_formula": "C3H4O3",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "OC(=O)C(=O)C",
      "cmpd_inchi": "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)",
      "cmpd_inchikey": "LCTONWCANYUPML-UHFFFAOYSA-N",
      "OH_k298": "1.2e-13",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "4.9e-14",
      "OH_B": "-280",
      "OH_n": "",
      "OH_t_low": "260",
      "OH_t_high": "380",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-nitropropane",
      "cmpd_mwt": "89.09",
      "cmpd_formula": "C3H7NO2",
      "cmpd_type": "nitro organic",
      "cmpd_smiles": "CC([N+](=O)[O-])C",
      "cmpd_inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3",
      "cmpd_inchikey": "FGLBSLMDCBOPQK-UHFFFAOYSA-N",
      "OH_k298": "2.5e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "2.2e-12",
      "OH_B": "646",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nitropropane",
      "cmpd_mwt": "89.09",
      "cmpd_formula": "C3H7NO2",
      "cmpd_type": "nitro organic",
      "cmpd_smiles": "[O-][N+](=O)CCC",
      "cmpd_inchi": "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3",
      "cmpd_inchikey": "JSZOAYXJRCEYSX-UHFFFAOYSA-N",
      "OH_k298": "3.6e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "3.8e-12",
      "OH_B": "700",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.9e-12",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-propyl nitrite",
      "cmpd_mwt": "89.09",
      "cmpd_formula": "C3H7NO2",
      "cmpd_type": "nitrite",
      "cmpd_smiles": "CCCON=O",
      "cmpd_inchi": "InChI=1S/C3H7NO2/c1-2-3-6-4-5/h2-3H2,1H3",
      "cmpd_inchikey": "KAOQVXHBVNKNHA-UHFFFAOYSA-N",
      "OH_k298": "1.1e-12",
      "OH_uncert": "0.27",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3,5-trioxane",
      "cmpd_mwt": "90.08",
      "cmpd_formula": "C3H6O3",
      "cmpd_type": "ether",
      "cmpd_smiles": "O1COCOC1",
      "cmpd_inchi": "InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2",
      "cmpd_inchikey": "BGJSXRVXTHVRSN-UHFFFAOYSA-N",
      "OH_k298": "5.4e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.5e-11",
      "OH_B": "302",
      "OH_n": "",
      "OH_t_low": "292",
      "OH_t_high": "597",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.02e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethyl carbonate",
      "cmpd_mwt": "90.08",
      "cmpd_formula": "C3H6O3",
      "cmpd_type": "ester",
      "cmpd_smiles": "COC(=O)OC",
      "cmpd_inchi": "InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3",
      "cmpd_inchikey": "IEJIGPNLZYLLBP-UHFFFAOYSA-N",
      "OH_k298": "3.26e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "5.68e-14",
      "OH_B": "-525",
      "OH_n": "2",
      "OH_t_low": "252",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.3e-12",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methoxymethyl formate",
      "cmpd_mwt": "90.08",
      "cmpd_formula": "C3H6O3",
      "cmpd_type": "alcohol or glycol ether ester",
      "cmpd_smiles": "COCOC=O",
      "cmpd_inchi": "InChI=1S/C3H6O3/c1-5-3-6-2-4/h2H,3H2,1H3",
      "cmpd_inchikey": "VKWJMTLAAJULGF-UHFFFAOYSA-N",
      "OH_k298": "1.7e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.4e-12",
      "OH_B": "-56",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chloroacetone",
      "cmpd_mwt": "92.52",
      "cmpd_formula": "C3H5OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CC(=O)CCl",
      "cmpd_inchi": "InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3",
      "cmpd_inchikey": "BULLHNJGPPOUOX-UHFFFAOYSA-N",
      "OH_k298": "4.4e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.9e-12",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chloro-2-methoxyethane",
      "cmpd_mwt": "94.54",
      "cmpd_formula": "C3H7OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "COCCCl",
      "cmpd_inchi": "InChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3",
      "cmpd_inchikey": "XTIGGAHUZJWQMD-UHFFFAOYSA-N",
      "OH_k298": "4.75e-12",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.3e-10",
      "Cl_uncert": "0.23",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,3-trifluoropropene",
      "cmpd_mwt": "96.05",
      "cmpd_formula": "C3H3F3",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "C=CC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2",
      "cmpd_inchikey": "FDMFUZHCIRHGRG-UHFFFAOYSA-N",
      "OH_k298": "1.39e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "8.58e-13",
      "OH_B": "-143.752169614934",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "330",
      "O3_k298": "3.5e-19",
      "O3_uncert": "0.29",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.02e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1-trifluoropropane",
      "cmpd_mwt": "98.07",
      "cmpd_formula": "C3H5F3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "CCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H5F3/c1-2-3(4,5)6/h2H2,1H3",
      "cmpd_inchikey": "KDWQLICBSFIDRM-UHFFFAOYSA-N",
      "OH_k298": "4.9e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3.7e-12",
      "OH_B": "1290",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropyl nitrate",
      "cmpd_mwt": "105.09",
      "cmpd_formula": "C3H7NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CC(O[N+](=O)[O-])C",
      "cmpd_inchi": "InChI=1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3",
      "cmpd_inchikey": "GAPFWGOSHOCNBM-UHFFFAOYSA-N",
      "OH_k298": "2.9e-13",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "6.2e-13",
      "OH_B": "230",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.8e-12",
      "Cl_uncert": "",
      "Cl_u_fac": "2",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-propyl nitrate",
      "cmpd_mwt": "105.09",
      "cmpd_formula": "C3H7NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCCC",
      "cmpd_inchi": "InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3",
      "cmpd_inchikey": "JNTOKFNBDFMTIV-UHFFFAOYSA-N",
      "OH_k298": "5.8e-13",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.2e-12",
      "OH_B": "168",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "368",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.2e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl 2,2-difluoroacetate",
      "cmpd_mwt": "110.06",
      "cmpd_formula": "C3H4O2F2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(=O)C(F)F",
      "cmpd_inchi": "InChI=1S/C3H4F2O2/c1-7-3(6)2(4)5/h2H,1H3",
      "cmpd_inchikey": "CSSYKHYGURSRAZ-UHFFFAOYSA-N",
      "OH_k298": "1.33e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.05e-13",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "2.02e-11",
      "Cl_B": "1368",
      "Cl_n": "",
      "Cl_t_low": "287",
      "Cl_t_high": "313"
    },
    {
      "cmpd_name": "1,1-dichloropropene",
      "cmpd_mwt": "110.97",
      "cmpd_formula": "C3H4Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "CC=C(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3",
      "cmpd_inchikey": "ZAIDIVBQUMFXEC-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dichloropropene",
      "cmpd_mwt": "110.97",
      "cmpd_formula": "C3H4Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClCC(=C)Cl",
      "cmpd_inchi": "InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2",
      "cmpd_inchikey": "FALCMQXTWHPRIH-UHFFFAOYSA-N",
      "OH_k298": "1.37e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.7",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.62e-20",
      "O3_uncert": "0.31",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.45e-15",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.38e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1-trifluoroacetone",
      "cmpd_mwt": "112.05",
      "cmpd_formula": "C3H3OF3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CC(=O)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3",
      "cmpd_inchikey": "FHUDAMLDXFJHJE-UHFFFAOYSA-N",
      "OH_k298": "1.1e-14",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.2e-15",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,3-trifluoropropanal",
      "cmpd_mwt": "112.05",
      "cmpd_formula": "C3H3OF3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H3F3O/c4-3(5,6)1-2-7/h2H,1H2",
      "cmpd_inchikey": "UTMIEQASUFFADK-UHFFFAOYSA-N",
      "OH_k298": "2.7e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "8.34e-12",
      "OH_B": "334",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "371",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.8e-11",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3-dichloropropane",
      "cmpd_mwt": "112.99",
      "cmpd_formula": "C3H6Cl2",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "ClCCCCl",
      "cmpd_inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2",
      "cmpd_inchikey": "YHRUOJUYPBUZOS-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trans 1,3,3,3-tetrafluoropropene",
      "cmpd_mwt": "114.04",
      "cmpd_formula": "C3H2F4",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "F/C=C/C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1+",
      "cmpd_inchikey": "CDOOAUSHHFGWSA-OWOJBTEDSA-N",
      "OH_k298": "7.02e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "9.01e-13",
      "OH_B": "74.4191270027822",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "2.8100000000000003e-21",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.64e-11",
      "Cl_uncert": "0.13",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3,3,3-tetrafluoropropene",
      "cmpd_mwt": "114.04",
      "cmpd_formula": "C3H2F4",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC(=C)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H2F4/c1-2(4)3(5,6)7/h1H2",
      "cmpd_inchikey": "FXRLMCRCYDHQFW-UHFFFAOYSA-N",
      "OH_k298": "1.11e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.15e-12",
      "OH_B": "10",
      "OH_n": "",
      "OH_t_low": "200",
      "OH_t_high": "300",
      "O3_k298": "2.7700000000000004e-21",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.6e-17",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.37e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "1.15e-11",
      "Cl_B": "-554",
      "Cl_n": "",
      "Cl_t_low": "300",
      "Cl_t_high": "462"
    },
    {
      "cmpd_name": "trifluoromethoxyethane",
      "cmpd_mwt": "114.07",
      "cmpd_formula": "C3H5OF3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCOC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H5F3O/c1-2-7-3(4,5)6/h2H2,1H3",
      "cmpd_inchikey": "ZPVFXWAIPNKSLJ-UHFFFAOYSA-N",
      "OH_k298": "1.5e-13",
      "OH_uncert": "0.33",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.4e-12",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1-trifluoro-2-methoxyethane",
      "cmpd_mwt": "114.07",
      "cmpd_formula": "C3H5OF3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H5F3O/c1-7-2-3(4,5)6/h2H2,1H3",
      "cmpd_inchikey": "OHLVGBXMHDWRRX-UHFFFAOYSA-N",
      "OH_k298": "6.39e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "3.51e-12",
      "OH_B": "508",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "353",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.3e-18",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "1.5",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,3-trifluoro-1-propanol",
      "cmpd_mwt": "114.07",
      "cmpd_formula": "C3H5OF3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H5F3O/c4-3(5,6)1-2-7/h7H,1-2H2",
      "cmpd_inchikey": "HDBGBTNNPRCVND-UHFFFAOYSA-N",
      "OH_k298": "9.6e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.7e-12",
      "OH_B": "305",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.73e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "6.67e-11",
      "Cl_B": "403",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "acetonyl nitrate",
      "cmpd_mwt": "119.08",
      "cmpd_formula": "C3H5NO4",
      "cmpd_type": "oxygenate nitrate",
      "cmpd_smiles": "CC(=O)CO[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C3H5NO4/c1-3(5)2-8-4(6)7/h2H2,1H3",
      "cmpd_inchikey": "ISWXYJQANHQYSR-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-bromo-1-propene",
      "cmpd_mwt": "120.98",
      "cmpd_formula": "C3H5Br",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "BrCC=C",
      "cmpd_inchi": "InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2",
      "cmpd_inchikey": "BHELZAPQIKSEDF-UHFFFAOYSA-N",
      "OH_k298": "1.75e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "3.6e-12",
      "OH_B": "-455",
      "OH_n": "",
      "OH_t_low": "228",
      "OH_t_high": "388",
      "O3_k298": "1.9e-18",
      "O3_uncert": "0.37",
      "O3_u_fac": "",
      "O3_A": "3.47e-15",
      "O3_B": "2233",
      "O3_n": "",
      "O3_t_low": "288",
      "O3_t_high": "328",
      "NO3_k298": "3.5e-15",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "1.56e-12",
      "NO3_B": "1819",
      "NO3_n": "",
      "NO3_t_low": "296",
      "NO3_t_high": "428",
      "Cl_k298": "1.23e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-nitrooxy-1-propanol",
      "cmpd_mwt": "121.09",
      "cmpd_formula": "C3H7NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC(CO)C",
      "cmpd_inchi": "InChI=1S/C3H7NO4/c1-3(2-5)8-4(6)7/h3,5H,2H2,1H3",
      "cmpd_inchikey": "HGCMMKIIGJXXMW-UHFFFAOYSA-N",
      "OH_k298": "6.7e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.2e-11",
      "Cl_uncert": "0.31",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nitrooxy-2-propanol",
      "cmpd_mwt": "121.09",
      "cmpd_formula": "C3H7NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCC(O)C",
      "cmpd_inchi": "InChI=1S/C3H7NO4/c1-3(5)2-8-4(6)7/h3,5H,2H2,1H3",
      "cmpd_inchikey": "OMDFJTSKBNDDRM-UHFFFAOYSA-N",
      "OH_k298": "5.1e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.5e-11",
      "Cl_uncert": "0.31",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-bromopropane",
      "cmpd_mwt": "122.99",
      "cmpd_formula": "C3H7Br",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CC(Br)C",
      "cmpd_inchi": "InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3",
      "cmpd_inchikey": "NAMYKGVDVNBCFQ-UHFFFAOYSA-N",
      "OH_k298": "7.58e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.96e-12",
      "OH_B": "283",
      "OH_n": "",
      "OH_t_low": "210",
      "OH_t_high": "335",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.71e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-bromopropane",
      "cmpd_mwt": "122.99",
      "cmpd_formula": "C3H7Br",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCCBr",
      "cmpd_inchi": "InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3",
      "cmpd_inchikey": "CYNYIHKIEHGYOZ-UHFFFAOYSA-N",
      "OH_k298": "1e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "3.91e-12",
      "OH_B": "399",
      "OH_n": "",
      "OH_t_low": "210",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.81e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "5.41e-11",
      "Cl_B": "-21",
      "Cl_n": "",
      "Cl_t_low": "221",
      "Cl_t_high": "436"
    },
    {
      "cmpd_name": "1,1-dichloroacetone",
      "cmpd_mwt": "126.97",
      "cmpd_formula": "C3H4OCl2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "ClC(C(=O)C)Cl",
      "cmpd_inchi": "InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3",
      "cmpd_inchikey": "CSVFWMMPUJDVKH-UHFFFAOYSA-N",
      "OH_k298": "4e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.8e-13",
      "Cl_uncert": "0.28",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl 2,2,2-trifluoroacetate",
      "cmpd_mwt": "128.05",
      "cmpd_formula": "C3H3O2F3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(=O)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3",
      "cmpd_inchikey": "VMVNZNXAVJHNDJ-UHFFFAOYSA-N",
      "OH_k298": "4.98e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3.23e-13",
      "OH_B": "557",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "440",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.39e-14",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "4.37e-12",
      "Cl_B": "1216",
      "Cl_n": "",
      "Cl_t_low": "287",
      "Cl_t_high": "313"
    },
    {
      "cmpd_name": "1,1-dichloro-2-methoxyethane",
      "cmpd_mwt": "128.99",
      "cmpd_formula": "C3H6OCl2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COCC(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C3H6Cl2O/c1-6-2-3(4)5/h3H,2H2,1H3",
      "cmpd_inchikey": "QUCLHUUEEKVBGT-UHFFFAOYSA-N",
      "OH_k298": "2.1e-12",
      "OH_uncert": "0.33",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.8e-11",
      "Cl_uncert": "0.4",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1-chloro-3,3,3-trifluoroprop-1-ene",
      "cmpd_mwt": "130.5",
      "cmpd_formula": "C3H2F3Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "Cl/C=C/C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H/b2-1+",
      "cmpd_inchikey": "LDTMPQQAWUMPKS-OWOJBTEDSA-N",
      "OH_k298": "3.5e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "9e-13",
      "OH_B": "280",
      "OH_n": "",
      "OH_t_low": "213",
      "OH_t_high": "376",
      "O3_k298": "1.46e-21",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.22e-11",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1-chloro-3,3,3-trifluoroprop-1-ene",
      "cmpd_mwt": "130.5",
      "cmpd_formula": "C3H2F3Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "Cl/C=C\\C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H2ClF3/c4-2-1-3(5,6)7/h1-2H/b2-1-",
      "cmpd_inchikey": "LDTMPQQAWUMPKS-UPHRSURJSA-N",
      "OH_k298": "9.4e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "3.67e-13",
      "OH_B": "-280",
      "OH_n": "",
      "OH_t_low": "213",
      "OH_t_high": "376",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.26e-11",
      "Cl_uncert": "0.13",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1,2,3,3,3-pentafluoroprop-1-ene",
      "cmpd_mwt": "132.03",
      "cmpd_formula": "C3HF5",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "F/C=C(/C(F)(F)F)\\F",
      "cmpd_inchi": "InChI=1S/C3HF5/c4-1-2(5)3(6,7)8/h1H/b2-1-",
      "cmpd_inchikey": "DMUPYMORYHFFCT-UPHRSURJSA-N",
      "OH_k298": "1.3e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "7.5e-13",
      "OH_B": "-165",
      "OH_n": "",
      "OH_t_low": "207",
      "OH_t_high": "380",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.76e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1,2,3,3,3-pentafluoroprop-1-ene",
      "cmpd_mwt": "132.03",
      "cmpd_formula": "C3HF5",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "F/C=C(\\C(F)(F)F)/F",
      "cmpd_inchi": "InChI=1S/C3HF5/c4-1-2(5)3(6,7)8/h1H/b2-1+",
      "cmpd_inchikey": "DMUPYMORYHFFCT-OWOJBTEDSA-N",
      "OH_k298": "2.3e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.24e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2,2-tetrafluoro-1-methoxyethane",
      "cmpd_mwt": "132.06",
      "cmpd_formula": "C3H4OF4",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H4F4O/c1-8-3(6,7)2(4)5/h2H,1H3",
      "cmpd_inchikey": "YQQHEHMVPLLOKE-UHFFFAOYSA-N",
      "OH_k298": "2.2e-14",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.7e-12",
      "OH_B": "1300",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.47e-13",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "5.55e-12",
      "Cl_B": "928",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "1,1,1,2-tetrafluoro-2-methoxyethane",
      "cmpd_mwt": "132.06",
      "cmpd_formula": "C3H4OF4",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3H4F4O/c1-8-2(4)3(5,6)7/h2H,1H3",
      "cmpd_inchikey": "BEPCUGVFWAYLBF-UHFFFAOYSA-N",
      "OH_k298": "1.6e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.05e-12",
      "OH_B": "760",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3-tetrafluoro-1-propanol",
      "cmpd_mwt": "132.06",
      "cmpd_formula": "C3H4OF4",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCC(C(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2",
      "cmpd_inchikey": "NBUKAOOFKZFCGD-UHFFFAOYSA-N",
      "OH_k298": "1.85e-13",
      "OH_uncert": "0.38",
      "OH_u_fac": "",
      "OH_A": "1.31e-12",
      "OH_B": "605",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "358",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.3e-13",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "9.9e-12",
      "Cl_B": "823",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "1,1,1,2,2-pentafluoropropane",
      "cmpd_mwt": "134.05",
      "cmpd_formula": "C3H3F5",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(F)(F)C)(F)F",
      "cmpd_inchi": "InChI=1S/C3H3F5/c1-2(4,5)3(6,7)8/h1H3",
      "cmpd_inchikey": "FDOPVENYMZRARC-UHFFFAOYSA-N",
      "OH_k298": "1.5e-15",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "4.2e-13",
      "OH_B": "1680",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2,3,3-pentafluoropropane",
      "cmpd_mwt": "134.05",
      "cmpd_formula": "C3H3F5",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(F)F)C(F)F",
      "cmpd_inchi": "InChI=1S/C3H3F5/c4-1(2(5)6)3(7)8/h1-3H",
      "cmpd_inchikey": "MWDWMQNTNBHJEI-UHFFFAOYSA-N",
      "OH_k298": "1.8e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.8e-12",
      "OH_B": "1375",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "380",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,3,3-pentafluoropropane",
      "cmpd_mwt": "134.05",
      "cmpd_formula": "C3H3F5",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(CC(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3H3F5/c4-2(5)1-3(6,7)8/h2H,1H2",
      "cmpd_inchikey": "MSSNHSVIGIHOJA-UHFFFAOYSA-N",
      "OH_k298": "6.9e-15",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "6e-13",
      "OH_B": "1331",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.91e-15",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2,2,3-pentafluoropropane",
      "cmpd_mwt": "134.05",
      "cmpd_formula": "C3H3F5",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FCC(C(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H3F5/c4-1-3(7,8)2(5)6/h2H,1H2",
      "cmpd_inchikey": "AWTOFSDLNREIFS-UHFFFAOYSA-N",
      "OH_k298": "7.7e-15",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "2.2e-12",
      "OH_B": "1685",
      "OH_n": "",
      "OH_t_low": "285",
      "OH_t_high": "365",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,3-pentafluoropropane",
      "cmpd_mwt": "134.05",
      "cmpd_formula": "C3H3F5",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FCC(C(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3H3F5/c4-1-2(5)3(6,7)8/h2H,1H2",
      "cmpd_inchikey": "ZDCWZRQSHBQRGN-UHFFFAOYSA-N",
      "OH_k298": "1.6e-14",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.1e-12",
      "OH_B": "1250",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "380",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-bromo-2-methoxyethane",
      "cmpd_mwt": "138.99",
      "cmpd_formula": "C3H7OBr",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "COCCBr",
      "cmpd_inchi": "InChI=1S/C3H7BrO/c1-5-3-2-4/h2-3H2,1H3",
      "cmpd_inchikey": "YZUPZGFPHUVJKC-UHFFFAOYSA-N",
      "OH_k298": "6.3e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.79e-10",
      "Cl_uncert": "0.4",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,2,2-tetrafluoroethyl formate",
      "cmpd_mwt": "146.04",
      "cmpd_formula": "C3H2O2F4",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=COC(C(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3H2F4O2/c4-2(9-1-8)3(5,6)7/h1-2H",
      "cmpd_inchikey": "KZDGRPLANJMPEJ-UHFFFAOYSA-N",
      "OH_k298": "1.68e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "8.84e-13",
      "OH_B": "1181",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,4,4-pentafluorooxetane",
      "cmpd_mwt": "148.03",
      "cmpd_formula": "C3HOF5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC1C(F)(F)OC1(F)F",
      "cmpd_inchi": "InChI=1S/C3HF5O/c4-1-2(5,6)9-3(1,7)8/h1H",
      "cmpd_inchikey": "IELDRGPCKXVHLW-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,3-pentafluoropropanal",
      "cmpd_mwt": "148.03",
      "cmpd_formula": "C3HOF5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CC(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3HF5O/c4-2(5,1-9)3(6,7)8/h1H",
      "cmpd_inchikey": "IRPGOXJVTQTAAN-UHFFFAOYSA-N",
      "OH_k298": "5.8e-13",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "2.05e-12",
      "OH_B": "378",
      "OH_n": "",
      "OH_t_low": "252",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-12",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloro-1,1,2-trifluoro-1-methoxyethane",
      "cmpd_mwt": "148.51",
      "cmpd_formula": "C3H4OF3Cl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(Cl)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H4ClF3O/c1-8-3(6,7)2(4)5/h2H,1H3",
      "cmpd_inchikey": "KKXBMWAROXAWSZ-UHFFFAOYSA-N",
      "OH_k298": "3.8e-14",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "2.59e-12",
      "OH_B": "1260",
      "OH_n": "",
      "OH_t_low": "273",
      "OH_t_high": "363",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.1e-13",
      "Cl_uncert": "0.35",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "Hexafluoropropene",
      "cmpd_mwt": "150.02",
      "cmpd_formula": "C3F6",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC(=C(C(F)(F)F)F)F",
      "cmpd_inchi": "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9",
      "cmpd_inchikey": "HCDGVLDPFQMKDK-UHFFFAOYSA-N",
      "OH_k298": "2.15e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "5.34e-13",
      "OH_B": "-415",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "480",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.7e-11",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2-pentafluoro-2-methoxyethane",
      "cmpd_mwt": "150.05",
      "cmpd_formula": "C3H3OF5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H3F5O/c1-9-3(7,8)2(4,5)6/h1H3",
      "cmpd_inchikey": "GCDWNCOAODIANN-UHFFFAOYSA-N",
      "OH_k298": "1.19e-14",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.18e-12",
      "OH_B": "1370",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-13",
      "Cl_uncert": "0.36",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-(difluoromethoxy)-1,1,1-trifluoroethane",
      "cmpd_mwt": "150.05",
      "cmpd_formula": "C3H3OF5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OCC(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3H3F5O/c4-2(5)9-1-3(6,7)8/h2H,1H2",
      "cmpd_inchikey": "ZASBKNPRLPFSCA-UHFFFAOYSA-N",
      "OH_k298": "1.1e-14",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.9e-12",
      "OH_B": "1660",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "460",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-14",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "6.3e-12",
      "Cl_B": "1897",
      "Cl_n": "",
      "Cl_t_low": "294",
      "Cl_t_high": "398"
    },
    {
      "cmpd_name": "1-(difluoromethoxy)-1,1,2-trifluoroethane",
      "cmpd_mwt": "150.05",
      "cmpd_formula": "C3H3OF5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FCC(OC(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H3F5O/c4-1-3(7,8)9-2(5)6/h2H,1H2",
      "cmpd_inchikey": "MFNUKMQUVGMCEW-UHFFFAOYSA-N",
      "OH_k298": "5.4e-15",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.11e-12",
      "OH_B": "1588",
      "OH_n": "",
      "OH_t_low": "268",
      "OH_t_high": "308",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,3-pentafluoro-1-propanol",
      "cmpd_mwt": "150.05",
      "cmpd_formula": "C3H3OF5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCC(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2",
      "cmpd_inchikey": "PSQZJKGXDGNDFP-UHFFFAOYSA-N",
      "OH_k298": "1.04e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.28e-12",
      "OH_B": "748",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.3e-13",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "9.9e-12",
      "Cl_B": "823",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "1,1,1,3,3,3-hexafluoropropane",
      "cmpd_mwt": "152.04",
      "cmpd_formula": "C3H2F6",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(CC(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2",
      "cmpd_inchikey": "NSGXIBWMJZWTPY-UHFFFAOYSA-N",
      "OH_k298": "3.3e-16",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "1.3e-12",
      "OH_B": "2465",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "340",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,3,3-hexafluoropropane",
      "cmpd_mwt": "152.04",
      "cmpd_formula": "C3H2F6",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(C(F)(F)F)F)F",
      "cmpd_inchi": "InChI=1S/C3H2F6/c4-1(2(5)6)3(7,8)9/h1-2H",
      "cmpd_inchikey": "FYIRUPZTYPILDH-UHFFFAOYSA-N",
      "OH_k298": "5e-15",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "1.4e-12",
      "OH_B": "1680",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "380",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,3-hexafluoropropane",
      "cmpd_mwt": "152.04",
      "cmpd_formula": "C3H2F6",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FCC(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H2F6/c4-1-2(5,6)3(7,8)9/h1H2",
      "cmpd_inchikey": "SUAMPXQALWYDBK-UHFFFAOYSA-N",
      "OH_k298": "6.5e-15",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "2.6e-13",
      "OH_B": "1100",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "320",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.5e-15",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1-trichloroacetone",
      "cmpd_mwt": "161.41",
      "cmpd_formula": "C3H3OCl3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CC(=O)C(Cl)(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3",
      "cmpd_inchikey": "SMZHKGXSEAGRTI-UHFFFAOYSA-N",
      "OH_k298": "1.54e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2e-14",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2,2,2-pentafluoroethyl formate",
      "cmpd_mwt": "164.03",
      "cmpd_formula": "C3HO2F5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=COC(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3HF5O2/c4-2(5,6)3(7,8)10-1-9/h1H",
      "cmpd_inchikey": "GQOMQANCZLOHHV-UHFFFAOYSA-N",
      "OH_k298": "1.2e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.91e-12",
      "OH_B": "1511",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.3e-14",
      "Cl_uncert": "0.38",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,3-pentafluoropropanoic acid",
      "cmpd_mwt": "164.03",
      "cmpd_formula": "C3HO2F5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(=O)C(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)",
      "cmpd_inchikey": "LRMSQVBRUNSOJL-UHFFFAOYSA-N",
      "OH_k298": "1.55e-13",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2-trifluoro-2-(trifluoromethoxy)ethene",
      "cmpd_mwt": "166.02",
      "cmpd_formula": "C3OF6",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(=C(OC(F)(F)F)F)F",
      "cmpd_inchi": "InChI=1S/C3F6O/c4-1(5)2(6)10-3(7,8)9",
      "cmpd_inchikey": "BLTXWCKMNMYXEA-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dinitrooxypropane",
      "cmpd_mwt": "166.09",
      "cmpd_formula": "C3H6N2O6",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCC(O[N+](=O)[O-])C",
      "cmpd_inchi": "InChI=1S/C3H6N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3H,2H2,1H3",
      "cmpd_inchikey": "PSXCGTLGGVDWFU-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1-dichloro-1,2,2-trifluoropropane",
      "cmpd_mwt": "166.96",
      "cmpd_formula": "C3H3F3Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(F)(F)C)(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C3H3Cl2F3/c1-2(6,7)3(4,5)8/h1H3",
      "cmpd_inchikey": "VOOXKKSIKFHMTJ-UHFFFAOYSA-N",
      "OH_k298": "2.4e-15",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "7e-13",
      "OH_B": "1690",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-iodopropene",
      "cmpd_mwt": "167.98",
      "cmpd_formula": "C3H5I",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ICC=C",
      "cmpd_inchi": "InChI=1S/C3H5I/c1-2-3-4/h2H,1,3H2",
      "cmpd_inchikey": "HFEHLDPGIKPNKL-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.52e-18",
      "O3_uncert": "0.12",
      "O3_u_fac": "",
      "O3_A": "8.17e-14",
      "O3_B": "2991",
      "O3_n": "",
      "O3_t_low": "288",
      "O3_t_high": "328",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.29e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2-trifluoro-2-(trifluoromethoxy)ethane",
      "cmpd_mwt": "168.04",
      "cmpd_formula": "C3H2OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C(OC(F)(F)F)F)F",
      "cmpd_inchi": "InChI=1S/C3H2F6O/c4-1(5)2(6)10-3(7,8)9/h1-2H",
      "cmpd_inchikey": "NYIXJXBRWHOWFJ-UHFFFAOYSA-N",
      "OH_k298": "6.7e-15",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.3e-15",
      "Cl_uncert": "",
      "Cl_u_fac": "2",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-(difluoromethoxy)-1,1,2,2-tetrafluoroethane",
      "cmpd_mwt": "168.04",
      "cmpd_formula": "C3H2OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(C(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3H2F6O/c4-1(5)3(8,9)10-2(6)7/h1-2H",
      "cmpd_inchikey": "SLSZYCUCKFSOCN-UHFFFAOYSA-N",
      "OH_k298": "2.7e-15",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "5.8e-13",
      "OH_B": "1600",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "407",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "desflurane",
      "cmpd_mwt": "168.04",
      "cmpd_formula": "C3H2OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(C(F)(F)F)F)F",
      "cmpd_inchi": "InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H",
      "cmpd_inchikey": "DPYMFVXJLLWWEU-UHFFFAOYSA-N",
      "OH_k298": "4.2e-15",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "8.15e-13",
      "OH_B": "1570",
      "OH_n": "",
      "OH_t_low": "241",
      "OH_t_high": "298",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-15",
      "Cl_uncert": "0.36",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cf3ch(oh)cf3",
      "cmpd_mwt": "168.04",
      "cmpd_formula": "C3H2OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(C(F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H",
      "cmpd_inchikey": "BYEAHWXPCBROCE-UHFFFAOYSA-N",
      "OH_k298": "2.5e-14",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "6.9e-13",
      "OH_B": "987",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.94e-14",
      "Cl_uncert": "0.23",
      "Cl_u_fac": "",
      "Cl_A": "2.32e-13",
      "Cl_B": "740",
      "Cl_n": "",
      "Cl_t_low": "269",
      "Cl_t_high": "375"
    },
    {
      "cmpd_name": "2-iodopropane",
      "cmpd_mwt": "169.99",
      "cmpd_formula": "C3H7I",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CC(I)C",
      "cmpd_inchi": "InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3",
      "cmpd_inchikey": "FMKOJHQHASLBPH-UHFFFAOYSA-N",
      "OH_k298": "1.29e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "7.64e-12",
      "OH_B": "530",
      "OH_n": "",
      "OH_t_low": "299",
      "OH_t_high": "369",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.84e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-iodopropane",
      "cmpd_mwt": "169.99",
      "cmpd_formula": "C3H7I",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCCI",
      "cmpd_inchi": "InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3",
      "cmpd_inchikey": "PVWOIHVRPOBWPI-UHFFFAOYSA-N",
      "OH_k298": "1.36e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.86e-11",
      "OH_B": "780",
      "OH_n": "",
      "OH_t_low": "300",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.65e-11",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,3,3,3-heptafluoropropane",
      "cmpd_mwt": "170.03",
      "cmpd_formula": "C3HF7",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H",
      "cmpd_inchikey": "YFMFNYKEUDLDTL-UHFFFAOYSA-N",
      "OH_k298": "1.4e-15",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "5.3e-13",
      "OH_B": "1770",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "380",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-bromo-3,3,3-trifluoro-1-propene",
      "cmpd_mwt": "174.95",
      "cmpd_formula": "C3H2F3Br",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "BrC(=C)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H2BrF3/c1-2(4)3(5,6)7/h1H2",
      "cmpd_inchikey": "QKBKGNDTLQFSEU-UHFFFAOYSA-N",
      "OH_k298": "3.8e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.06e-12",
      "OH_B": "-380",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.67e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bis(difluoromethoxy)-difluoromethane",
      "cmpd_mwt": "184.04",
      "cmpd_formula": "C3H2O2F6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(OC(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3H2F6O2/c4-1(5)10-3(8,9)11-2(6)7/h1-2H",
      "cmpd_inchikey": "AENINUZHGRRKOE-UHFFFAOYSA-N",
      "OH_k298": "2.4e-15",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane",
      "cmpd_mwt": "184.49",
      "cmpd_formula": "C3H2OF5Cl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OCC(F)(F)F)(Cl)F",
      "cmpd_inchi": "InChI=1S/C3H2ClF5O/c4-3(8,9)10-1-2(5,6)7/h1H2",
      "cmpd_inchikey": "HPDPVPUXPBZBOJ-UHFFFAOYSA-N",
      "OH_k298": "4e-14",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.6e-12",
      "OH_B": "1100",
      "OH_n": "",
      "OH_t_low": "293",
      "OH_t_high": "410",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.7e-15",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "1.26e-11",
      "Cl_B": "2515",
      "Cl_n": "",
      "Cl_t_low": "295",
      "Cl_t_high": "402"
    },
    {
      "cmpd_name": "isoflurane",
      "cmpd_mwt": "184.49",
      "cmpd_formula": "C3H2OF5Cl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(C(F)(F)F)Cl)F",
      "cmpd_inchi": "InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H",
      "cmpd_inchikey": "PIWKPBJCKXDKJR-UHFFFAOYSA-N",
      "OH_k298": "1.5e-14",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.1e-12",
      "OH_B": "1275",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.3e-15",
      "Cl_uncert": "0.4",
      "Cl_u_fac": "",
      "Cl_A": "1.6e-11",
      "Cl_B": "2450",
      "Cl_n": "",
      "Cl_t_low": "295",
      "Cl_t_high": "399"
    },
    {
      "cmpd_name": "enflurane",
      "cmpd_mwt": "184.49",
      "cmpd_formula": "C3H2OF5Cl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(C(Cl)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H",
      "cmpd_inchikey": "JPGQOUSTVILISH-UHFFFAOYSA-N",
      "OH_k298": "1.2e-14",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "6.73e-13",
      "OH_B": "1200",
      "OH_n": "",
      "OH_t_low": "302",
      "OH_t_high": "422",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.2e-15",
      "Cl_uncert": "0.41",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1-dichloro-1,3,3,3-tetrafluoropropane",
      "cmpd_mwt": "184.95",
      "cmpd_formula": "C3H2F4Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(CC(Cl)(Cl)F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H2Cl2F4/c4-2(5,6)1-3(7,8)9/h1H2",
      "cmpd_inchikey": "JBSUEXFKGWKQFC-UHFFFAOYSA-N",
      "OH_k298": "8e-16",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.5e-17",
      "Cl_uncert": "0.5",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2,2-tetrafluoro-1-(trifluoromethoxy)ethane",
      "cmpd_mwt": "186.03",
      "cmpd_formula": "C3HOF7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C(OC(F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3HF7O/c4-1(5)2(6,7)11-3(8,9)10/h1H",
      "cmpd_inchikey": "MEVYDFZGEHEVSM-UHFFFAOYSA-N",
      "OH_k298": "2.1e-15",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "5.3e-13",
      "OH_B": "1655",
      "OH_n": "",
      "OH_t_low": "269",
      "OH_t_high": "403",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.5e-16",
      "Cl_uncert": "0.32",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2-tetrafluoro-2-(trifluoromethoxy)ethane",
      "cmpd_mwt": "186.03",
      "cmpd_formula": "C3HOF7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C(F)(F)F)OC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3HF7O/c4-1(2(5,6)7)11-3(8,9)10/h1H",
      "cmpd_inchikey": "UDKWMTKIRQSDHF-UHFFFAOYSA-N",
      "OH_k298": "1.15e-15",
      "OH_uncert": "0.19",
      "OH_u_fac": "",
      "OH_A": "3.1e-13",
      "OH_B": "1680",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5e-17",
      "Cl_uncert": "",
      "Cl_u_fac": "2",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3-dichloro-1,1,2,2,3-pentafluoropropane",
      "cmpd_mwt": "202.94",
      "cmpd_formula": "C3HF5Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(C(Cl)(F)F)(F)F)Cl",
      "cmpd_inchi": "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H",
      "cmpd_inchikey": "UJIGKESMIPTWJH-UHFFFAOYSA-N",
      "OH_k298": "8.9e-15",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "5.5e-13",
      "OH_B": "1230",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3-dichloro-1,1,1,2,2-pentafluoropropane",
      "cmpd_mwt": "202.94",
      "cmpd_formula": "C3HF5Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClC(C(C(F)(F)F)(F)F)Cl",
      "cmpd_inchi": "InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H",
      "cmpd_inchikey": "COAUHYBSXMIJDK-UHFFFAOYSA-N",
      "OH_k298": "2.5e-14",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "1.1e-12",
      "OH_B": "1130",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dibromo-3-chloropropane",
      "cmpd_mwt": "236.33",
      "cmpd_formula": "C3H5ClBr2",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "ClCC(CBr)Br",
      "cmpd_inchi": "InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2",
      "cmpd_inchikey": "WBEJYOJJBDISQU-UHFFFAOYSA-N",
      "OH_k298": "4.05e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylallene",
      "cmpd_mwt": "54.09",
      "cmpd_formula": "C4H6",
      "cmpd_type": "allene",
      "cmpd_smiles": "CC=C=C",
      "cmpd_inchi": "InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3",
      "cmpd_inchikey": "QNRMTGGDHLBXQZ-UHFFFAOYSA-N",
      "OH_k298": "2.6e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylenecyclopropane",
      "cmpd_mwt": "54.09",
      "cmpd_formula": "C4H6",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C=C1CC1",
      "cmpd_inchi": "InChI=1S/C4H6/c1-4-2-3-4/h1-3H2",
      "cmpd_inchikey": "XSGHLZBESSREDT-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.8e-18",
      "O3_uncert": "0.39",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.4e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3-butadiene",
      "cmpd_mwt": "54.09",
      "cmpd_formula": "C4H6",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "C=CC=C",
      "cmpd_inchi": "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2",
      "cmpd_inchikey": "KAKZBPTYRLMSJV-UHFFFAOYSA-N",
      "OH_k298": "6.63e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.12e-11",
      "OH_B": "-530",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "673",
      "O3_k298": "6.3e-18",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "1.34e-14",
      "O3_B": "2283",
      "O3_n": "",
      "O3_t_low": "231",
      "O3_t_high": "324",
      "NO3_k298": "1.1e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.4e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-butyne",
      "cmpd_mwt": "54.09",
      "cmpd_formula": "C4H6",
      "cmpd_type": "alkyne",
      "cmpd_smiles": "CC#CC",
      "cmpd_inchi": "InChI=1S/C4H6/c1-3-4-2/h1-2H3",
      "cmpd_inchikey": "XNMQEEKYCVKGBD-UHFFFAOYSA-N",
      "OH_k298": "2.7e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.9e-14",
      "NO3_uncert": "0.35",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-butyne",
      "cmpd_mwt": "54.09",
      "cmpd_formula": "C4H6",
      "cmpd_type": "alkyne",
      "cmpd_smiles": "CCC#C",
      "cmpd_inchi": "InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3",
      "cmpd_inchikey": "KDKYADYSIPSCCQ-UHFFFAOYSA-N",
      "OH_k298": "7.5e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.97e-20",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.7e-16",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "3.21e-11",
      "NO3_B": "3320",
      "NO3_n": "",
      "NO3_t_low": "295",
      "NO3_t_high": "473",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-2-butene",
      "cmpd_mwt": "56.11",
      "cmpd_formula": "C4H8",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "C/C=C\\C",
      "cmpd_inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3-",
      "cmpd_inchikey": "IAQRGUVFOMOMEM-ARJAWSKDSA-N",
      "OH_k298": "5.28e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "3.8e-12",
      "OH_B": "-784",
      "OH_n": "",
      "OH_t_low": "235",
      "OH_t_high": "750",
      "O3_k298": "1.3e-16",
      "O3_uncert": "0.12",
      "O3_u_fac": "",
      "O3_A": "3.37e-15",
      "O3_B": "970",
      "O3_n": "",
      "O3_t_low": "220",
      "O3_t_high": "370",
      "NO3_k298": "3.5e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.4",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.4e-10",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-butene",
      "cmpd_mwt": "56.11",
      "cmpd_formula": "C4H8",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "C/C=C/C",
      "cmpd_inchi": "InChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+",
      "cmpd_inchikey": "IAQRGUVFOMOMEM-ONEGZZNKSA-N",
      "OH_k298": "6.31e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "6.06e-12",
      "OH_B": "-698",
      "OH_n": "",
      "OH_t_low": "295",
      "OH_t_high": "800",
      "O3_k298": "2e-16",
      "O3_uncert": "0.26",
      "O3_u_fac": "",
      "O3_A": "7e-15",
      "O3_B": "1060",
      "O3_n": "",
      "O3_t_low": "220",
      "O3_t_high": "370",
      "NO3_k298": "3.9e-13",
      "NO3_uncert": "0.2",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.5e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclobutane",
      "cmpd_mwt": "56.11",
      "cmpd_formula": "C4H8",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CCC1",
      "cmpd_inchi": "InChI=1S/C4H8/c1-2-4-3-1/h1-4H2",
      "cmpd_inchikey": "PMPVIKIVABFJJI-UHFFFAOYSA-N",
      "OH_k298": "2e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.11e-11",
      "OH_B": "510",
      "OH_n": "",
      "OH_t_low": "272",
      "OH_t_high": "469",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.2e-10",
      "Cl_uncert": "0.32",
      "Cl_u_fac": "",
      "Cl_A": "1.8e-10",
      "Cl_B": "-56",
      "Cl_n": "",
      "Cl_t_low": "193",
      "Cl_t_high": "593"
    },
    {
      "cmpd_name": "2-methyl-1-propene",
      "cmpd_mwt": "56.11",
      "cmpd_formula": "C4H8",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CC(=C)C",
      "cmpd_inchi": "InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3",
      "cmpd_inchikey": "VQTUBCCKSQIDNK-UHFFFAOYSA-N",
      "OH_k298": "5.1e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "9.4e-12",
      "OH_B": "-505",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "430",
      "O3_k298": "1.15e-17",
      "O3_uncert": "0.12",
      "O3_u_fac": "",
      "O3_A": "2.92e-15",
      "O3_B": "1650",
      "O3_n": "",
      "O3_t_low": "220",
      "O3_t_high": "370",
      "NO3_k298": "3.4e-13",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.3e-10",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-butene",
      "cmpd_mwt": "56.11",
      "cmpd_formula": "C4H8",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCC=C",
      "cmpd_inchi": "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3",
      "cmpd_inchikey": "VXNZUUAINFGPBY-UHFFFAOYSA-N",
      "OH_k298": "3.1e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "6.6e-12",
      "OH_B": "-465",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "430",
      "O3_k298": "1e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "3.55e-15",
      "O3_B": "1750",
      "O3_n": "",
      "O3_t_low": "220",
      "O3_t_high": "370",
      "NO3_k298": "1.3e-14",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "3.2e-13",
      "NO3_B": "950",
      "NO3_n": "",
      "NO3_t_low": "230",
      "NO3_t_high": "480",
      "Cl_k298": "3e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylpropane",
      "cmpd_mwt": "58.12",
      "cmpd_formula": "C4H10",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CC(C)C",
      "cmpd_inchi": "InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3",
      "cmpd_inchikey": "NNPPMTNAJDCUHE-UHFFFAOYSA-N",
      "OH_k298": "2.11e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "6.2800000000000005e-13",
      "OH_B": "-366",
      "OH_n": "2.39",
      "OH_t_low": "213",
      "OH_t_high": "1221",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.04e-16",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "2.14e-12",
      "NO3_B": "2959",
      "NO3_n": "",
      "NO3_t_low": "298",
      "NO3_t_high": "430",
      "Cl_k298": "1.4e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "1.4e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "295",
      "Cl_t_high": "484"
    },
    {
      "cmpd_name": "n-butane",
      "cmpd_mwt": "58.12",
      "cmpd_formula": "C4H10",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCC",
      "cmpd_inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "IJDNQMDRQITEOD-UHFFFAOYSA-N",
      "OH_k298": "2.38e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.09e-12",
      "OH_B": "-42",
      "OH_n": "1.82",
      "OH_t_low": "231",
      "OH_t_high": "1236",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.5e-17",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.05e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "2.05e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "290",
      "Cl_t_high": "600"
    },
    {
      "cmpd_name": "pyrrole",
      "cmpd_mwt": "67.09",
      "cmpd_formula": "C4H5N",
      "cmpd_type": "amine",
      "cmpd_smiles": "c1ccc[nH]1",
      "cmpd_inchi": "InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H",
      "cmpd_inchikey": "KAESVJOAVNADME-UHFFFAOYSA-N",
      "OH_k298": "1.2e-10",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.78e-11",
      "NO3_uncert": "0.28",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "furan",
      "cmpd_mwt": "68.07",
      "cmpd_formula": "C4H4O",
      "cmpd_type": "furan",
      "cmpd_smiles": "c1ccco1",
      "cmpd_inchi": "InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H",
      "cmpd_inchikey": "YLQBMQCUIZJEEH-UHFFFAOYSA-N",
      "OH_k298": "3.83e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "9.67e-12",
      "OH_B": "-410.44509233678",
      "OH_n": "",
      "OH_t_low": "294",
      "OH_t_high": "595",
      "O3_k298": "2.4e-18",
      "O3_uncert": "0.33",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.35e-12",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "1.28e-13",
      "NO3_B": "-700",
      "NO3_n": "",
      "NO3_t_low": "263",
      "NO3_t_high": "335",
      "Cl_k298": "2e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-butenal",
      "cmpd_mwt": "70.09",
      "cmpd_formula": "C4H6O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "C/C=C/C=O",
      "cmpd_inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+",
      "cmpd_inchikey": "MLUCVPSAIODCQM-NSCUHMNNSA-N",
      "OH_k298": "3.6e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "6e-12",
      "OH_B": "-533",
      "OH_n": "",
      "OH_t_low": "243",
      "OH_t_high": "373",
      "O3_k298": "1.58e-18",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.62e-15",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.65e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "vinyloxirane",
      "cmpd_mwt": "70.09",
      "cmpd_formula": "C4H6O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "C=CC1CO1",
      "cmpd_inchi": "InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2",
      "cmpd_inchikey": "GXBYFVGCMPJVJX-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.6e-18",
      "O3_uncert": "0.38",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.15e-15",
      "NO3_uncert": "0.33",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,5-dihydrofuran",
      "cmpd_mwt": "70.09",
      "cmpd_formula": "C4H6O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "O1CC=CC1",
      "cmpd_inchi": "InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2",
      "cmpd_inchikey": "ARGCQEVBJHPOGB-UHFFFAOYSA-N",
      "OH_k298": "6.45e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.63e-17",
      "O3_uncert": "0.19",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.48e-10",
      "Cl_uncert": "0.13",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methacrolein",
      "cmpd_mwt": "70.09",
      "cmpd_formula": "C4H6O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "CC(=C)C=O",
      "cmpd_inchi": "InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3",
      "cmpd_inchikey": "STNJBCKSHOAVAJ-UHFFFAOYSA-N",
      "OH_k298": "2.9e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "8e-12",
      "OH_B": "-380",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "380",
      "O3_k298": "1.2e-18",
      "O3_uncert": "",
      "O3_u_fac": "1.6",
      "O3_A": "1.4e-15",
      "O3_B": "2100",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "330",
      "NO3_k298": "3.4e-15",
      "NO3_uncert": "0.2",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.2e-10",
      "Cl_uncert": "0.27",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl vinyl ketone",
      "cmpd_mwt": "70.09",
      "cmpd_formula": "C4H6O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC(=O)C=C",
      "cmpd_inchi": "InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3",
      "cmpd_inchikey": "FUSUHKVFWTUUBE-UHFFFAOYSA-N",
      "OH_k298": "2e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "2.6e-12",
      "OH_B": "-610",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "380",
      "O3_k298": "5.2e-18",
      "O3_uncert": "",
      "O3_u_fac": "1.6",
      "O3_A": "8.5e-16",
      "O3_B": "1520",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "330",
      "NO3_k298": "1.3e-16",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethyl ketene",
      "cmpd_mwt": "70.09",
      "cmpd_formula": "C4H6O",
      "cmpd_type": "ketene",
      "cmpd_smiles": "O=C=C(C)C",
      "cmpd_inchi": "InChI=1S/C4H6O/c1-4(2)3-5/h1-2H3",
      "cmpd_inchikey": "VDOKWPVSGXHSNP-UHFFFAOYSA-N",
      "OH_k298": "1.2e-10",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl ketene",
      "cmpd_mwt": "70.09",
      "cmpd_formula": "C4H6O",
      "cmpd_type": "ketene",
      "cmpd_smiles": "CCC=C=O",
      "cmpd_inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h3H,2H2,1H3",
      "cmpd_inchikey": "JSEMCPMTAXQTJN-UHFFFAOYSA-N",
      "OH_k298": "1.3e-10",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclobutanone",
      "cmpd_mwt": "70.09",
      "cmpd_formula": "C4H6O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "O=C1CCC1",
      "cmpd_inchi": "InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2",
      "cmpd_inchikey": "SHQSVMDWKBRBGB-UHFFFAOYSA-N",
      "OH_k298": "8.7e-13",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.01e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclopropanecarbaldehyde",
      "cmpd_mwt": "70.09",
      "cmpd_formula": "C4H6O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "O=CC1CC1",
      "cmpd_inchi": "InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2",
      "cmpd_inchikey": "JMYVMOUINOAAPA-UHFFFAOYSA-N",
      "OH_k298": "2.1e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.3e-15",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tetrahydrofuran",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "ether",
      "cmpd_smiles": "C1CCCO1",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2",
      "cmpd_inchikey": "WYURNTSHIVDZCO-UHFFFAOYSA-N",
      "OH_k298": "1.67e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.2",
      "OH_A": "4.77e-12",
      "OH_B": "-375.68642115528",
      "OH_n": "1.20454530691982",
      "OH_t_low": "260",
      "OH_t_high": "1338",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.1e-15",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "2e-9",
      "NO3_B": "3800",
      "NO3_n": "",
      "NO3_t_low": "287",
      "NO3_t_high": "340",
      "Cl_k298": "2.25e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "2.15e-10",
      "Cl_B": "-13.4298995017768",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "547"
    },
    {
      "cmpd_name": "2-methyl-2-propen-1-ol",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC(=C)CO",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3",
      "cmpd_inchikey": "BYDRTKVGBRTTIT-UHFFFAOYSA-N",
      "OH_k298": "9e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "8.1e-12",
      "OH_B": "-716",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.45e-10",
      "Cl_uncert": "0.4",
      "Cl_u_fac": "",
      "Cl_A": "2.45e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "255",
      "Cl_t_high": "298"
    },
    {
      "cmpd_name": "2-methylpropanal",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "O=CC(C)C",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3",
      "cmpd_inchikey": "AMIMRNSIRUDHCM-UHFFFAOYSA-N",
      "OH_k298": "2.57e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "6.7e-12",
      "OH_B": "-400",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "425",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.25e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "1.67e-12",
      "NO3_B": "1460",
      "NO3_n": "",
      "NO3_t_low": "260",
      "NO3_t_high": "420",
      "Cl_k298": "1.56e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-buten-2-ol",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC(C=C)O",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3",
      "cmpd_inchikey": "MKUWVMRNQOOSAT-UHFFFAOYSA-N",
      "OH_k298": "5.9e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.6e-17",
      "O3_uncert": "0.38",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.2e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3e-10",
      "Cl_uncert": "0.35",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-buten-1-ol",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC=CCO",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3",
      "cmpd_inchikey": "WCASXYBKJHWFMY-UHFFFAOYSA-N",
      "OH_k298": "8.7e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "7.4e-12",
      "OH_B": "-734",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "370",
      "O3_k298": "2.5e-16",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.9e-13",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.97e-10",
      "Cl_uncert": "0.23",
      "Cl_u_fac": "",
      "Cl_A": "9.7e-10",
      "Cl_B": "266",
      "Cl_n": "",
      "Cl_t_low": "263",
      "Cl_t_high": "370"
    },
    {
      "cmpd_name": "methyl ethyl ketone",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CCC(=O)C",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3",
      "cmpd_inchikey": "ZWEHNKRNPOVVGH-UHFFFAOYSA-N",
      "OH_k298": "1.05e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "5.42e-14",
      "OH_B": "-889",
      "OH_n": "3.57",
      "OH_t_low": "213",
      "OH_t_high": "1364",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "1.4",
      "Cl_A": "3.05e-11",
      "Cl_B": "-80",
      "Cl_n": "",
      "Cl_t_low": "200",
      "Cl_t_high": "450"
    },
    {
      "cmpd_name": "ethyl oxirane",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCC1CO1",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3",
      "cmpd_inchikey": "RBACIKXCRWGCBB-UHFFFAOYSA-N",
      "OH_k298": "1.92e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.71e-14",
      "OH_B": "-1407",
      "OH_n": "4.8",
      "OH_t_low": "220",
      "OH_t_high": "950",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.1e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-butanal",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CCCC=O",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3",
      "cmpd_inchikey": "ZTQSAGDEMFDKMZ-UHFFFAOYSA-N",
      "OH_k298": "2.37e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.75e-13",
      "OH_B": "-1333",
      "OH_n": "2.65",
      "OH_t_low": "258",
      "OH_t_high": "1315",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.1e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.4",
      "NO3_A": "1.7e-12",
      "NO3_B": "1500",
      "NO3_n": "",
      "NO3_t_low": "260",
      "NO3_t_high": "340",
      "Cl_k298": "1.66e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "3.8e-11",
      "Cl_B": "-446",
      "Cl_n": "",
      "Cl_t_low": "265",
      "Cl_t_high": "381"
    },
    {
      "cmpd_name": "vinyloxyethane",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "CCOC=C",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3",
      "cmpd_inchikey": "FJKIXWOMBXYWOQ-UHFFFAOYSA-N",
      "OH_k298": "7.3e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.64e-11",
      "OH_B": "-445",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "372",
      "O3_k298": "1.78e-16",
      "O3_uncert": "0.17",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.5e-12",
      "NO3_uncert": "0.29",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.43e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "8e-10",
      "Cl_B": "349",
      "Cl_n": "",
      "Cl_t_low": "253",
      "Cl_t_high": "298"
    },
    {
      "cmpd_name": "2-methoxy-1-propene",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "COC(=C)C",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3",
      "cmpd_inchikey": "YOWQWFMSQCOSBA-UHFFFAOYSA-N",
      "OH_k298": "1.14e-10",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.2e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.41e-11",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.03e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-buten-1-ol",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "OCCC=C",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2",
      "cmpd_inchikey": "ZSPTYLOMNJNZNG-UHFFFAOYSA-N",
      "OH_k298": "5.5e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "3.8e-12",
      "OH_B": "-797",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "371",
      "O3_k298": "5.55e-18",
      "O3_uncert": "0.17",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.8e-10",
      "Cl_uncert": "0.45",
      "Cl_u_fac": "",
      "Cl_A": "1.66e-9",
      "Cl_B": "530",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "2-methylpropan-2-ol",
      "cmpd_mwt": "74.12",
      "cmpd_formula": "C4H10O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CC(O)(C)C",
      "cmpd_inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3",
      "cmpd_inchikey": "DKGAVHZHDRPRBM-UHFFFAOYSA-N",
      "OH_k298": "1.07e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "6.74e-14",
      "OH_B": "-832",
      "OH_n": "3.46",
      "OH_t_low": "221",
      "OH_t_high": "1208",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.5e-11",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylpropan-1-ol",
      "cmpd_mwt": "74.12",
      "cmpd_formula": "C4H10O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OCC(C)C",
      "cmpd_inchi": "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3",
      "cmpd_inchikey": "ZXEKIIBDNHEJCQ-UHFFFAOYSA-N",
      "OH_k298": "9.68e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.72e-13",
      "OH_B": "-1207",
      "OH_n": "3",
      "OH_t_low": "224",
      "OH_t_high": "1147",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-10",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-butanol",
      "cmpd_mwt": "74.12",
      "cmpd_formula": "C4H10O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCC(O)C",
      "cmpd_inchi": "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3",
      "cmpd_inchikey": "BTANRVKWQNVYAZ-UHFFFAOYSA-N",
      "OH_k298": "8.69e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "3.88e-13",
      "OH_B": "-931",
      "OH_n": "2.25",
      "OH_t_low": "223",
      "OH_t_high": "1178",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2e-15",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "6.1e-11",
      "Cl_B": "-179",
      "Cl_n": "",
      "Cl_t_low": "267",
      "Cl_t_high": "384"
    },
    {
      "cmpd_name": "1-butanol",
      "cmpd_mwt": "74.12",
      "cmpd_formula": "C4H10O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCCO",
      "cmpd_inchi": "InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3",
      "cmpd_inchikey": "LRHPLDYGYMQRHN-UHFFFAOYSA-N",
      "OH_k298": "9.14e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.94e-13",
      "OH_B": "-1029.5",
      "OH_n": "2.8846",
      "OH_t_low": "298",
      "OH_t_high": "494",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.87e-15",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.2e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "3.45e-11",
      "Cl_B": "-550",
      "Cl_n": "",
      "Cl_t_low": "260",
      "Cl_t_high": "390"
    },
    {
      "cmpd_name": "ethoxyethane",
      "cmpd_mwt": "74.12",
      "cmpd_formula": "C4H10O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCOCC",
      "cmpd_inchi": "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "RTZKZFJDLAIYFH-UHFFFAOYSA-N",
      "OH_k298": "1.25e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.15",
      "OH_A": "4.21e-13",
      "OH_B": "-1014.85717959834",
      "OH_n": "2.67367443602474",
      "OH_t_low": "230",
      "OH_t_high": "1351",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.2e-15",
      "NO3_uncert": "0.35",
      "NO3_u_fac": "",
      "NO3_A": "4.95e-12",
      "NO3_B": "2186",
      "NO3_n": "",
      "NO3_t_low": "258",
      "NO3_t_high": "373",
      "Cl_k298": "2.8e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-butenedial",
      "cmpd_mwt": "84.07",
      "cmpd_formula": "C4H4O2",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=C/C=C/C=O",
      "cmpd_inchi": "InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1+",
      "cmpd_inchikey": "JGEMYUOFGVHXKV-OWOJBTEDSA-N",
      "OH_k298": "3.45e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.7e-15",
      "NO3_uncert": "0.49",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.35e-10",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-2-butenedial",
      "cmpd_mwt": "84.07",
      "cmpd_formula": "C4H4O2",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=C/C=C\\C=O",
      "cmpd_inchi": "InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1-",
      "cmpd_inchikey": "JGEMYUOFGVHXKV-UPHRSURJSA-N",
      "OH_k298": "5.8e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3H-furan-2-one",
      "cmpd_mwt": "84.07",
      "cmpd_formula": "C4H4O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "O=C1CC=CO1",
      "cmpd_inchi": "InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1,3H,2H2",
      "cmpd_inchikey": "RHDGNLCLDBVESU-UHFFFAOYSA-N",
      "OH_k298": "4.9e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.76e-13",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methacrylic acid",
      "cmpd_mwt": "86.09",
      "cmpd_formula": "C4H6O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "CC(=C)C(=O)O",
      "cmpd_inchi": "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)",
      "cmpd_inchikey": "CERQOIWHTDAKMF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3e-18",
      "O3_uncert": "",
      "O3_u_fac": "1.5",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "biacetyl",
      "cmpd_mwt": "86.09",
      "cmpd_formula": "C4H6O2",
      "cmpd_type": "alpha-dicarbonyl",
      "cmpd_smiles": "CC(=O)C(=O)C",
      "cmpd_inchi": "InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3",
      "cmpd_inchikey": "QSJXEFYPDANLFS-UHFFFAOYSA-N",
      "OH_k298": "2.36e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.23e-13",
      "OH_B": "-198",
      "OH_n": "2",
      "OH_t_low": "240",
      "OH_t_high": "440",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.5e-13",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "vinyl acetate",
      "cmpd_mwt": "86.09",
      "cmpd_formula": "C4H6O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CC(=O)OC=C",
      "cmpd_inchi": "InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3",
      "cmpd_inchikey": "XTXRWKRVRITETP-UHFFFAOYSA-N",
      "OH_k298": "2.49e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.77e-12",
      "OH_B": "-493",
      "OH_n": "",
      "OH_t_low": "287",
      "OH_t_high": "313",
      "O3_k298": "2.75e-18",
      "O3_uncert": "0.23",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9e-15",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.68e-10",
      "Cl_uncert": "0.34",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl acrylate",
      "cmpd_mwt": "86.09",
      "cmpd_formula": "C4H6O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "COC(=O)C=C",
      "cmpd_inchi": "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3",
      "cmpd_inchikey": "BAPJBEWLBFYGME-UHFFFAOYSA-N",
      "OH_k298": "1.29e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2e-12",
      "OH_B": "-556",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "366",
      "O3_k298": "1.08e-18",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.1e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "1.6",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.87e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-methylpropanamide",
      "cmpd_mwt": "87.12",
      "cmpd_formula": "C4H9NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCC(=O)NC",
      "cmpd_inchi": "InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)",
      "cmpd_inchikey": "QJQAMHYHNCADNR-UHFFFAOYSA-N",
      "OH_k298": "7.67e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2e-12",
      "OH_B": "-400",
      "OH_n": "",
      "OH_t_low": "300",
      "OH_t_high": "384",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N,N-dimethylacetamide",
      "cmpd_mwt": "87.12",
      "cmpd_formula": "C4H9NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "CC(=O)N(C)C",
      "cmpd_inchi": "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3",
      "cmpd_inchikey": "FXHOOIRPVKKKFG-UHFFFAOYSA-N",
      "OH_k298": "1.6e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.2e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "2.7e-11",
      "NO3_B": "1925",
      "NO3_n": "",
      "NO3_t_low": "273",
      "NO3_t_high": "353",
      "Cl_k298": "2.3e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-dioxane",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "O1CCOCC1",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2",
      "cmpd_inchikey": "RYHBNJHYFVUHQT-UHFFFAOYSA-N",
      "OH_k298": "1.15e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "6.8e-12",
      "OH_B": "-159",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "440",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.74e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "8.4e-10",
      "Cl_B": "470",
      "Cl_n": "",
      "Cl_t_low": "292",
      "Cl_t_high": "360"
    },
    {
      "cmpd_name": "1,3-dioxane",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "C1CCOCO1",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2",
      "cmpd_inchikey": "VDFVNEFVBPFDSB-UHFFFAOYSA-N",
      "OH_k298": "1e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "8.6e-12",
      "OH_B": "-45",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "440",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-hydroxy-2-butanone",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CC(=O)CCO",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3",
      "cmpd_inchikey": "LVSQXDHWDCMMRJ-UHFFFAOYSA-N",
      "OH_k298": "9.1e-12",
      "OH_uncert": "0.46",
      "OH_u_fac": "",
      "OH_A": "3.81e-12",
      "OH_B": "-259.450058257228",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "363",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.45e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-hydroxy-2-methylpropanal",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "O=CC(O)(C)C",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3",
      "cmpd_inchikey": "HNVAGBIANFAIIL-UHFFFAOYSA-N",
      "OH_k298": "1.4e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylpropanoic acid",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "carboxylic acid",
      "cmpd_smiles": "CC(C(=O)O)C",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)",
      "cmpd_inchikey": "KQNPFQTWMSNSAP-UHFFFAOYSA-N",
      "OH_k298": "2.1e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.1e-12",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "450",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropyl formate",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "O=COC(C)C",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3",
      "cmpd_inchikey": "RMOUBSOVHSONPZ-UHFFFAOYSA-N",
      "OH_k298": "2.13e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "3.13e-13",
      "OH_B": "-571",
      "OH_n": "",
      "OH_t_low": "243",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.58e-11",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-hydroxy-2-butanone",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CC(=O)C(O)C",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3",
      "cmpd_inchikey": "ROWKJAVDOGWPAT-UHFFFAOYSA-N",
      "OH_k298": "9.7e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "1.24e-12",
      "OH_B": "-612",
      "OH_n": "",
      "OH_t_low": "280",
      "OH_t_high": "350",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.5e-16",
      "NO3_uncert": "0.26",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.9e-11",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-hydroxybutanal",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "CC(CC=O)O",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3",
      "cmpd_inchikey": "HSJKGGMUJITCBW-UHFFFAOYSA-N",
      "OH_k298": "2.95e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-hydroxy-2-butanone",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CCC(=O)CO",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3",
      "cmpd_inchikey": "GFAZHVHNLUBROE-UHFFFAOYSA-N",
      "OH_k298": "7.6e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl propanoate",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCC(=O)OC",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3",
      "cmpd_inchikey": "RJUFJBKOKNCXHH-UHFFFAOYSA-N",
      "OH_k298": "9.43e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "4.29e-14",
      "OH_B": "-928",
      "OH_n": "3.58",
      "OH_t_low": "253",
      "OH_t_high": "1341",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.42e-11",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "2.93e-11",
      "Cl_B": "33",
      "Cl_n": "2",
      "Cl_t_low": "263",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "2-hydroxybutanal",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "CCC(C=O)O",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-2-4(6)3-5/h3-4,6H,2H2,1H3",
      "cmpd_inchikey": "UIKQNMXWCYQNCS-UHFFFAOYSA-N",
      "OH_k298": "2.4e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "butanoic acid",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "carboxylic acid",
      "cmpd_smiles": "CCCC(=O)O",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)",
      "cmpd_inchikey": "FERIUCNNQQJTOY-UHFFFAOYSA-N",
      "OH_k298": "1.8e-12",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propyl formate",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCOC=O",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3",
      "cmpd_inchikey": "KFNNIILCVOLYIR-UHFFFAOYSA-N",
      "OH_k298": "1.85e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "2.17e-13",
      "OH_B": "-643",
      "OH_n": "2",
      "OH_t_low": "253",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.6e-11",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl acetate",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCOC(=O)C",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",
      "cmpd_inchikey": "XEKOWRVHYACXOJ-UHFFFAOYSA-N",
      "OH_k298": "1.6e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.69e-13",
      "OH_B": "-683",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.78e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1-dimethoxyethene",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "COC(=C)OC",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-4(5-2)6-3/h1H2,2-3H3",
      "cmpd_inchikey": "FJTRNRFAIZEJJJ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.8e-16",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-oxolanol",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "OC1CCCO1",
      "cmpd_inchi": "InChI=1S/C4H8O2/c5-4-2-1-3-6-4/h4-5H,1-3H2",
      "cmpd_inchikey": "JNODDICFTDYODH-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.5e-18",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-vinyloxyethanol",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "OCCOC=C",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2",
      "cmpd_inchikey": "VUIWJRYTWUGOOF-UHFFFAOYSA-N",
      "OH_k298": "1.04e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2e-16",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2e-12",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-amino-2-methyl-1-propanol",
      "cmpd_mwt": "89.14",
      "cmpd_formula": "C4H11NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "OCC(N)(C)C",
      "cmpd_inchi": "InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3",
      "cmpd_inchikey": "CBTVGIZVANVGBH-UHFFFAOYSA-N",
      "OH_k298": "2.8e-11",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N,N-dimethylethanolamine",
      "cmpd_mwt": "89.14",
      "cmpd_formula": "C4H11NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "OCCN(C)C",
      "cmpd_inchi": "InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3",
      "cmpd_inchikey": "UEEJHVSXFDXPFK-UHFFFAOYSA-N",
      "OH_k298": "7e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "7e-11",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "234",
      "OH_t_high": "364",
      "O3_k298": "6.8e-18",
      "O3_uncert": "0.29",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "t-butyl hydroperoxide",
      "cmpd_mwt": "90.12",
      "cmpd_formula": "C4H10O2",
      "cmpd_type": "hydroperoxide",
      "cmpd_smiles": "OOC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3",
      "cmpd_inchikey": "CIHOLLKRGTVIJN-UHFFFAOYSA-N",
      "OH_k298": "3.56e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "7e-13",
      "OH_B": "-485",
      "OH_n": "",
      "OH_t_low": "206",
      "OH_t_high": "375",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-butanediol",
      "cmpd_mwt": "90.12",
      "cmpd_formula": "C4H10O2",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CC(C(O)C)O",
      "cmpd_inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3",
      "cmpd_inchikey": "OWBTYPJTUOEWEK-UHFFFAOYSA-N",
      "OH_k298": "2.12e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3-butanediol",
      "cmpd_mwt": "90.12",
      "cmpd_formula": "C4H10O2",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OCCC(O)C",
      "cmpd_inchi": "InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3",
      "cmpd_inchikey": "PUPZLCDOIYMWBV-UHFFFAOYSA-N",
      "OH_k298": "2.99e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-butanediol",
      "cmpd_mwt": "90.12",
      "cmpd_formula": "C4H10O2",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCC(CO)O",
      "cmpd_inchi": "InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3",
      "cmpd_inchikey": "BMRWNKZVCUKKSR-UHFFFAOYSA-N",
      "OH_k298": "2.43e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethoxyethanol",
      "cmpd_mwt": "90.12",
      "cmpd_formula": "C4H10O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "OCCOCC",
      "cmpd_inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3",
      "cmpd_inchikey": "ZNQVEEAIQZEUHB-UHFFFAOYSA-N",
      "OH_k298": "1.95e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.16e-15",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.95e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1-dimethoxyethane",
      "cmpd_mwt": "90.12",
      "cmpd_formula": "C4H10O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "COC(OC)C",
      "cmpd_inchi": "InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3",
      "cmpd_inchikey": "SPEUIVXLLWOEMJ-UHFFFAOYSA-N",
      "OH_k298": "8.9e-12",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methoxy-2-propanol",
      "cmpd_mwt": "90.12",
      "cmpd_formula": "C4H10O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "COCC(O)C",
      "cmpd_inchi": "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3",
      "cmpd_inchikey": "ARXJGSRGQADJSQ-UHFFFAOYSA-N",
      "OH_k298": "2e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.6e-15",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.28e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dimethoxyethane",
      "cmpd_mwt": "90.12",
      "cmpd_formula": "C4H10O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "COCCOC",
      "cmpd_inchi": "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "XTHFKEDIFFGKHM-UHFFFAOYSA-N",
      "OH_k298": "2.8e-11",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "4.77e-13",
      "OH_B": "-1220",
      "OH_n": "2",
      "OH_t_low": "234",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-butanediol",
      "cmpd_mwt": "90.12",
      "cmpd_formula": "C4H10O2",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OCCCCO",
      "cmpd_inchi": "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2",
      "cmpd_inchikey": "WERYXYBDKMZEQL-UHFFFAOYSA-N",
      "OH_k298": "3.67e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-chloro-2-methyl-1-propene",
      "cmpd_mwt": "90.55",
      "cmpd_formula": "C4H7Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "CC(=C)CCl",
      "cmpd_inchi": "InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3",
      "cmpd_inchikey": "OHXAOPZTJOUYKM-UHFFFAOYSA-N",
      "OH_k298": "3.4e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.37e-18",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.25e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "1.55e-12",
      "NO3_B": "1262.86015598993",
      "NO3_n": "",
      "NO3_t_low": "298",
      "NO3_t_high": "473",
      "Cl_k298": "2.25e-10",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chloro-2-methyl-1-propene",
      "cmpd_mwt": "90.55",
      "cmpd_formula": "C4H7Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClC=C(C)C",
      "cmpd_inchi": "InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3",
      "cmpd_inchikey": "KWISWUFGPUHDRY-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-chloro-1-butene",
      "cmpd_mwt": "90.55",
      "cmpd_formula": "C4H7Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "CC(C=C)Cl",
      "cmpd_inchi": "InChI=1S/C4H7Cl/c1-3-4(2)5/h3-4H,1H2,2H3",
      "cmpd_inchikey": "VZGLVCFVUREVDP-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.3e-18",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "4.2e-15",
      "O3_B": "2245",
      "O3_n": "",
      "O3_t_low": "292",
      "O3_t_high": "335",
      "NO3_k298": "3e-15",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "2.4e-12",
      "NO3_B": "1992",
      "NO3_n": "",
      "NO3_t_low": "298",
      "NO3_t_high": "473",
      "Cl_k298": "2.1e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloro-2-butene",
      "cmpd_mwt": "90.55",
      "cmpd_formula": "C4H7Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "CC=C(Cl)C",
      "cmpd_inchi": "InChI=1S/C4H7Cl/c1-3-4(2)5/h3H,1-2H3",
      "cmpd_inchikey": "DSDHFHLZEFQSFM-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.1e-13",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chloro-2-butene",
      "cmpd_mwt": "90.55",
      "cmpd_formula": "C4H7Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "CC=CCCl",
      "cmpd_inchi": "InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3",
      "cmpd_inchikey": "YTKRILODNOEEPX-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.3e-17",
      "O3_uncert": "0.39",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "6e-13",
      "NO3_B": "981",
      "NO3_n": "",
      "NO3_t_low": "298",
      "NO3_t_high": "473",
      "Cl_k298": "2.2e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloro-1-butene",
      "cmpd_mwt": "90.55",
      "cmpd_formula": "C4H7Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "CCC(=C)Cl",
      "cmpd_inchi": "InChI=1S/C4H7Cl/c1-3-4(2)5/h2-3H2,1H3",
      "cmpd_inchikey": "HSEFPJMMKNHABB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.7e-14",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloro-2-methylpropane",
      "cmpd_mwt": "92.57",
      "cmpd_formula": "C4H9Cl",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CC(Cl)(C)C",
      "cmpd_inchi": "InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3",
      "cmpd_inchikey": "NBRKLOOSMBRFMH-UHFFFAOYSA-N",
      "OH_k298": "4.5e-13",
      "OH_uncert": "0.22",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.29e-11",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chlorobutane",
      "cmpd_mwt": "92.57",
      "cmpd_formula": "C4H9Cl",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCCCCl",
      "cmpd_inchi": "InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3",
      "cmpd_inchikey": "VFWCMGCRMGJXDK-UHFFFAOYSA-N",
      "OH_k298": "1.89e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.45e-11",
      "OH_B": "941",
      "OH_n": "",
      "OH_t_low": "295",
      "OH_t_high": "353",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.11e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tert-butyl nitrite",
      "cmpd_mwt": "103.12",
      "cmpd_formula": "C4H9NO2",
      "cmpd_type": "nitrite",
      "cmpd_smiles": "O=NOC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C4H9NO2/c1-4(2,3)7-5-6/h1-3H3",
      "cmpd_inchikey": "IOGXOCVLYRDXLW-UHFFFAOYSA-N",
      "OH_k298": "1.3e-12",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylpropyl nitrite",
      "cmpd_mwt": "103.12",
      "cmpd_formula": "C4H9NO2",
      "cmpd_type": "nitrite",
      "cmpd_smiles": "CC(CON=O)C",
      "cmpd_inchi": "InChI=1S/C4H9NO2/c1-4(2)3-7-5-6/h4H,3H2,1-2H3",
      "cmpd_inchikey": "APNSGVMLAYLYCT-UHFFFAOYSA-N",
      "OH_k298": "5e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-butyl nitrite",
      "cmpd_mwt": "103.12",
      "cmpd_formula": "C4H9NO2",
      "cmpd_type": "nitrite",
      "cmpd_smiles": "CC(ON=O)CC",
      "cmpd_inchi": "InChI=1S/C4H9NO2/c1-3-4(2)7-5-6/h4H,3H2,1-2H3",
      "cmpd_inchikey": "NFGNZNFBQAGBJA-UHFFFAOYSA-N",
      "OH_k298": "5.6e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nitrobutane",
      "cmpd_mwt": "103.12",
      "cmpd_formula": "C4H9NO2",
      "cmpd_type": "nitro organic",
      "cmpd_smiles": "CCCC[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C4H9NO2/c1-2-3-4-5(6)7/h2-4H2,1H3",
      "cmpd_inchikey": "NALZTFARIYUCBY-UHFFFAOYSA-N",
      "OH_k298": "6.6e-13",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "5.8e-12",
      "OH_B": "646",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.5e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-butyl nitrite",
      "cmpd_mwt": "103.12",
      "cmpd_formula": "C4H9NO2",
      "cmpd_type": "nitrite",
      "cmpd_smiles": "CCCCON=O",
      "cmpd_inchi": "InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3",
      "cmpd_inchikey": "JQJPBYFTQAANLE-UHFFFAOYSA-N",
      "OH_k298": "2.4e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4-dihydroxy-2-butanone",
      "cmpd_mwt": "104.1",
      "cmpd_formula": "C4H8O3",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CC(=O)C(CO)O",
      "cmpd_inchi": "InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h4-5,7H,2H2,1H3",
      "cmpd_inchikey": "SEYLPRWNVFCVRQ-UHFFFAOYSA-N",
      "OH_k298": "1.2e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dihydroxy-2-methylpropanal",
      "cmpd_mwt": "104.1",
      "cmpd_formula": "C4H8O3",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "CC(C=O)(CO)O",
      "cmpd_inchi": "InChI=1S/C4H8O3/c1-4(7,2-5)3-6/h2,6-7H,3H2,1H3",
      "cmpd_inchikey": "JBCPUXACCOWZEB-UHFFFAOYSA-N",
      "OH_k298": "3.3e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dihydroxybutanal",
      "cmpd_mwt": "104.1",
      "cmpd_formula": "C4H8O3",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "CC(C(C=O)O)O",
      "cmpd_inchi": "InChI=1S/C4H8O3/c1-3(6)4(7)2-5/h2-4,6-7H,1H3",
      "cmpd_inchikey": "DFFAMJFPVBTTBX-UHFFFAOYSA-N",
      "OH_k298": "4.1e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethoxymethyl formate",
      "cmpd_mwt": "104.1",
      "cmpd_formula": "C4H8O3",
      "cmpd_type": "alcohol or glycol ether ester",
      "cmpd_smiles": "CCOCOC=O",
      "cmpd_inchi": "InChI=1S/C4H8O3/c1-2-6-4-7-3-5/h3H,2,4H2,1H3",
      "cmpd_inchikey": "PSMNQBXDJUFDBY-UHFFFAOYSA-N",
      "OH_k298": "4.6e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.6e-12",
      "OH_B": "-317",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl lactate",
      "cmpd_mwt": "104.1",
      "cmpd_formula": "C4H8O3",
      "cmpd_type": "alcohol or glycolester",
      "cmpd_smiles": "COC(=O)C(O)C",
      "cmpd_inchi": "InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3",
      "cmpd_inchikey": "LPEKGGXMPWTOCB-UHFFFAOYSA-N",
      "OH_k298": "2.48e-12",
      "OH_uncert": "0.29",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methoxyethyl formate",
      "cmpd_mwt": "104.1",
      "cmpd_formula": "C4H8O3",
      "cmpd_type": "alcohol or glycol ether ester",
      "cmpd_smiles": "COCCOC=O",
      "cmpd_inchi": "InChI=1S/C4H8O3/c1-6-2-3-7-4-5/h4H,2-3H2,1H3",
      "cmpd_inchikey": "HVSACIINGLQLCS-UHFFFAOYSA-N",
      "OH_k298": "6.5e-12",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "2.2e-12",
      "OH_B": "-324",
      "OH_n": "",
      "OH_t_low": "273",
      "OH_t_high": "368",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methoxymethyl acetate",
      "cmpd_mwt": "104.1",
      "cmpd_formula": "C4H8O3",
      "cmpd_type": "alcohol or glycol ether ester",
      "cmpd_smiles": "COCOC(=O)C",
      "cmpd_inchi": "InChI=1S/C4H8O3/c1-4(5)7-3-6-2/h3H2,1-2H3",
      "cmpd_inchikey": "MDEDOIDXVJXDBW-UHFFFAOYSA-N",
      "OH_k298": "2.8e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.8e-12",
      "OH_B": "-134",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chloro-3-buten-2-one",
      "cmpd_mwt": "104.53",
      "cmpd_formula": "C4H5OCl",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "ClCC(=O)C=C",
      "cmpd_inchi": "InChI=1S/C4H5ClO/c1-2-4(6)3-5/h2H,1,3H2",
      "cmpd_inchikey": "SEVIEHFDUHCSCV-UHFFFAOYSA-N",
      "OH_k298": "1.9e-10",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trimethoxymethane",
      "cmpd_mwt": "106.12",
      "cmpd_formula": "C4H10O3",
      "cmpd_type": "ether",
      "cmpd_smiles": "COC(OC)OC",
      "cmpd_inchi": "InChI=1S/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3",
      "cmpd_inchikey": "PYOKUURKVVELLB-UHFFFAOYSA-N",
      "OH_k298": "5e-12",
      "OH_uncert": "0.28",
      "OH_u_fac": "",
      "OH_A": "4.43e-14",
      "OH_B": "-1408.3",
      "OH_n": "4.454",
      "OH_t_low": "298",
      "OH_t_high": "744",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.6e-10",
      "Cl_uncert": "0.38",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-formyloxyethyl formate",
      "cmpd_mwt": "118.09",
      "cmpd_formula": "C4H6O4",
      "cmpd_type": "ester",
      "cmpd_smiles": "O=COCCOC=O",
      "cmpd_inchi": "InChI=1S/C4H6O4/c5-3-7-1-2-8-4-6/h3-4H,1-2H2",
      "cmpd_inchikey": "IKCQWKJZLSDDSS-UHFFFAOYSA-N",
      "OH_k298": "4.84e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.2e-12",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylpropyl nitrate",
      "cmpd_mwt": "119.12",
      "cmpd_formula": "C4H9NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CC(CO[N+](=O)[O-])C",
      "cmpd_inchi": "InChI=1S/C4H9NO3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3",
      "cmpd_inchikey": "LNNXFUZKZLXPOF-UHFFFAOYSA-N",
      "OH_k298": "1.38e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-butyl nitrate",
      "cmpd_mwt": "119.12",
      "cmpd_formula": "C4H9NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC(CC)C",
      "cmpd_inchi": "InChI=1S/C4H9NO3/c1-3-4(2)8-5(6)7/h4H,3H2,1-2H3",
      "cmpd_inchikey": "DYONNFFVDNILGI-UHFFFAOYSA-N",
      "OH_k298": "8.6e-13",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-butyl nitrate",
      "cmpd_mwt": "119.12",
      "cmpd_formula": "C4H9NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCCCC",
      "cmpd_inchi": "InChI=1S/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3",
      "cmpd_inchikey": "QQHZPQUHCAKSOL-UHFFFAOYSA-N",
      "OH_k298": "1.6e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.5e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "2",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-nitrooxy-2-butanone",
      "cmpd_mwt": "133.1",
      "cmpd_formula": "C4H7NO4",
      "cmpd_type": "oxygenate nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC(C(=O)C)C",
      "cmpd_inchi": "InChI=1S/C4H7NO4/c1-3(6)4(2)9-5(7)8/h4H,1-2H3",
      "cmpd_inchikey": "KFRUNLQRYXGRRS-UHFFFAOYSA-N",
      "OH_k298": "1.2e-12",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nitrooxy-2-butanone",
      "cmpd_mwt": "133.1",
      "cmpd_formula": "C4H7NO4",
      "cmpd_type": "oxygenate nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCC(=O)CC",
      "cmpd_inchi": "InChI=1S/C4H7NO4/c1-2-4(6)3-9-5(7)8/h2-3H2,1H3",
      "cmpd_inchikey": "OVISQPFXRZOZFI-UHFFFAOYSA-N",
      "OH_k298": "8.4e-13",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nitrooxy-2-butanol-3-ene",
      "cmpd_mwt": "133.1",
      "cmpd_formula": "C4H7NO4",
      "cmpd_type": "unsaturated hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCC(C=C)O",
      "cmpd_inchi": "InChI=1S/C4H7NO4/c1-2-4(6)3-9-5(7)8/h2,4,6H,1,3H2",
      "cmpd_inchikey": "ZANUSWCYRLKDAN-UHFFFAOYSA-N",
      "OH_k298": "3.62e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-nitrooxy-1-butanol-2-ene",
      "cmpd_mwt": "133.1",
      "cmpd_formula": "C4H7NO4",
      "cmpd_type": "unsaturated hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCC=CCO",
      "cmpd_inchi": "InChI=1S/C4H7NO4/c6-3-1-2-4-9-5(7)8/h1-2,6H,3-4H2",
      "cmpd_inchikey": "JVISETCEJQRRQM-UHFFFAOYSA-N",
      "OH_k298": "2.2e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-bromo-1-butene",
      "cmpd_mwt": "135",
      "cmpd_formula": "C4H7Br",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "BrCCC=C",
      "cmpd_inchi": "InChI=1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2",
      "cmpd_inchikey": "DMAYBPBPEUFIHJ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5e-15",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-bromo-1-butene",
      "cmpd_mwt": "135",
      "cmpd_formula": "C4H7Br",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "CC(C=C)Br",
      "cmpd_inchi": "InChI=1S/C4H7Br/c1-3-4(2)5/h3-4H,1H2,2H3",
      "cmpd_inchikey": "XOTGLEGIDHZTIM-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4e-15",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-bromo-2-butene",
      "cmpd_mwt": "135",
      "cmpd_formula": "C4H7Br",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "CC=C(Br)C",
      "cmpd_inchi": "InChI=1S/C4H7Br/c1-3-4(2)5/h3H,1-2H3",
      "cmpd_inchikey": "UILZQFGKPHAAOU-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.3e-13",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-nitrooxy-1-butanol",
      "cmpd_mwt": "135.12",
      "cmpd_formula": "C4H9NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC(CCO)C",
      "cmpd_inchi": "InChI=1S/C4H9NO4/c1-4(2-3-6)9-5(7)8/h4,6H,2-3H2,1H3",
      "cmpd_inchikey": "FOHXKGXDMSQVTH-UHFFFAOYSA-N",
      "OH_k298": "1.19e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.39e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-nitrooxy-2-butanol",
      "cmpd_mwt": "135.12",
      "cmpd_formula": "C4H9NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCCC(O)C",
      "cmpd_inchi": "InChI=1S/C4H9NO4/c1-4(6)2-3-9-5(7)8/h4,6H,2-3H2,1H3",
      "cmpd_inchikey": "WUKDMTQXKGFHBU-UHFFFAOYSA-N",
      "OH_k298": "1.04e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-11",
      "Cl_uncert": "0.29",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-nitrooxy-1-butanol",
      "cmpd_mwt": "135.12",
      "cmpd_formula": "C4H9NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "CCC(O[N+](=O)[O-])CO",
      "cmpd_inchi": "InChI=1S/C4H9NO4/c1-2-4(3-6)9-5(7)8/h4,6H,2-3H2,1H3",
      "cmpd_inchikey": "YXMNEYKMHSBVTD-UHFFFAOYSA-N",
      "OH_k298": "7.4e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.8e-12",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nitrooxy-2-butanol",
      "cmpd_mwt": "135.12",
      "cmpd_formula": "C4H9NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCC(CC)O",
      "cmpd_inchi": "InChI=1S/C4H9NO4/c1-2-4(6)3-9-5(7)8/h4,6H,2-3H2,1H3",
      "cmpd_inchikey": "KNUQGVIXAYDSOX-UHFFFAOYSA-N",
      "OH_k298": "7e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.7e-12",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-nitrooxy-1-butanol",
      "cmpd_mwt": "135.12",
      "cmpd_formula": "C4H9NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "OCCCCO[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C4H9NO4/c6-3-1-2-4-9-5(7)8/h6H,1-4H2",
      "cmpd_inchikey": "FBOGSWRRYABFKU-UHFFFAOYSA-N",
      "OH_k298": "1.26e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.82e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-bromobutane",
      "cmpd_mwt": "137.02",
      "cmpd_formula": "C4H9Br",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCCCBr",
      "cmpd_inchi": "InChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3",
      "cmpd_inchikey": "MPPPKRYCTPRNTB-UHFFFAOYSA-N",
      "OH_k298": "2.3e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl 2,2,2-trifluoroacetate",
      "cmpd_mwt": "142.08",
      "cmpd_formula": "C4H5O2F3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCOC(=O)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3",
      "cmpd_inchikey": "STSCVKRWJPWALQ-UHFFFAOYSA-N",
      "OH_k298": "2.36e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.98e-12",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "4.82e-10",
      "Cl_B": "1637",
      "Cl_n": "",
      "Cl_t_low": "287",
      "Cl_t_high": "313"
    },
    {
      "cmpd_name": "3,3,4,4,4-pentafluoro-1-butene",
      "cmpd_mwt": "146.06",
      "cmpd_formula": "C4H3F5",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "C=CC(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H3F5/c1-2-3(5,6)4(7,8)9/h2H,1H2",
      "cmpd_inchikey": "IZHPSCJEIFFRLN-UHFFFAOYSA-N",
      "OH_k298": "1.4e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "7.9e-13",
      "OH_B": "-170",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "358",
      "O3_k298": "2e-19",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.03e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-ethoxy-1,1,2,2-tetrafluoroethane",
      "cmpd_mwt": "146.08",
      "cmpd_formula": "C4H6OF4",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCOC(C(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H6F4O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3",
      "cmpd_inchikey": "HBRLMDFVVMYNFH-UHFFFAOYSA-N",
      "OH_k298": "2.2e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.1e-12",
      "OH_B": "670",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.8e-12",
      "Cl_uncert": "0.33",
      "Cl_u_fac": "",
      "Cl_A": "1.8e-12",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "1,1,2,2-tetrafluoro-3-methoxypropane",
      "cmpd_mwt": "146.08",
      "cmpd_formula": "C4H6OF4",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COCC(C(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H6F4O/c1-9-2-4(7,8)3(5)6/h3H,2H2,1H3",
      "cmpd_inchikey": "CTXZHYNQHNBVKL-UHFFFAOYSA-N",
      "OH_k298": "9.61e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.74e-12",
      "OH_B": "312",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "353",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.4e-11",
      "Cl_uncert": "0.5",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "peroxymethacryloyl nitrate",
      "cmpd_mwt": "147.09",
      "cmpd_formula": "C4H5NO5",
      "cmpd_type": "unsaturated PAN compound",
      "cmpd_smiles": "[O-][N+](=O)OOC(=O)C(=C)C",
      "cmpd_inchi": "InChI=1S/C4H5NO5/c1-3(2)4(6)9-10-5(7)8/h1H2,2H3",
      "cmpd_inchikey": "LLZWPQFQEBKRLX-UHFFFAOYSA-N",
      "OH_k298": "2.9e-11",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "8.2e-18",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.6e-16",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,3,3-pentafluorobutane",
      "cmpd_mwt": "148.07",
      "cmpd_formula": "C4H5F5",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "CC(CC(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3",
      "cmpd_inchikey": "WZLFPVPRZGTCKP-UHFFFAOYSA-N",
      "OH_k298": "7.1e-15",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.6e-12",
      "OH_B": "1620",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "380",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.05e-15",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hexafluoro-1,3-butadiene",
      "cmpd_mwt": "162.03",
      "cmpd_formula": "C4F6",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "FC(=C(F)F)C(=C(F)F)F",
      "cmpd_inchi": "InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10",
      "cmpd_inchikey": "LGPPATCNSOSOQH-UHFFFAOYSA-N",
      "OH_k298": "1.1e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "9.47e-21",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "1.14e-16",
      "O3_B": "2800",
      "O3_n": "",
      "O3_t_low": "225",
      "O3_t_high": "308",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloro-2-ethoxy-1,1,1-trifluoroethane",
      "cmpd_mwt": "162.54",
      "cmpd_formula": "C4H6OF3Cl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCOC(C(F)(F)F)Cl",
      "cmpd_inchi": "InChI=1S/C4H6ClF3O/c1-2-9-3(5)4(6,7)8/h3H,2H2,1H3",
      "cmpd_inchikey": "ZGDQTIIOCXICHO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3e-12",
      "Cl_uncert": "0.4",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1,1,1,4,4,4-hexafluorobut-2-ene",
      "cmpd_mwt": "164.05",
      "cmpd_formula": "C4H2F6",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC(/C=C\\C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1-",
      "cmpd_inchikey": "NLOLSXYRJFEOTA-UPHRSURJSA-N",
      "OH_k298": "4.8e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.46e-13",
      "OH_B": "-200",
      "OH_n": "",
      "OH_t_low": "212",
      "OH_t_high": "374",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.59e-11",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2-pentafluoro-3-methoxypropane",
      "cmpd_mwt": "164.07",
      "cmpd_formula": "C4H5OF5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COCC(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H5F5O/c1-10-2-3(5,6)4(7,8)9/h2H2,1H3",
      "cmpd_inchikey": "ZYAMKYAPIQPWQR-UHFFFAOYSA-N",
      "OH_k298": "7.84e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.29e-12",
      "OH_B": "319",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "353",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.2e-11",
      "Cl_uncert": "0.5",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,4,4,4-hexafluorobutane",
      "cmpd_mwt": "166.06",
      "cmpd_formula": "C4H4F6",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(CCC(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H4F6/c5-3(6,7)1-2-4(8,9)10/h1-2H2",
      "cmpd_inchikey": "CXIGIYYQHHRBJC-UHFFFAOYSA-N",
      "OH_k298": "7.8e-15",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.6e-12",
      "OH_B": "1734",
      "OH_n": "",
      "OH_t_low": "260",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,4-hexafluorobutane",
      "cmpd_mwt": "166.06",
      "cmpd_formula": "C4H4F6",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FCCC(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H4F6/c5-2-1-3(6,7)4(8,9)10/h1-2H2",
      "cmpd_inchikey": "KSUHRWWSNHJRMY-UHFFFAOYSA-N",
      "OH_k298": "4.2e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.7e-12",
      "OH_B": "1108",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4-dinitrooxy-1-butene",
      "cmpd_mwt": "178.1",
      "cmpd_formula": "C4H6N2O6",
      "cmpd_type": "unsaturated nitrate",
      "cmpd_smiles": "C=CC(O[N+](=O)[O-])CO[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C4H6N2O6/c1-2-4(12-6(9)10)3-11-5(7)8/h2,4H,1,3H2",
      "cmpd_inchikey": "VKCGYOAZHDYOEZ-UHFFFAOYSA-N",
      "OH_k298": "9.3e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-dinitrooxy-2-butene",
      "cmpd_mwt": "178.1",
      "cmpd_formula": "C4H6N2O6",
      "cmpd_type": "unsaturated nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC/C=C\\CO[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C4H6N2O6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-2H,3-4H2/b2-1-",
      "cmpd_inchikey": "GCQJZAFTGYZGDG-UPHRSURJSA-N",
      "OH_k298": "1.4e-11",
      "OH_uncert": "0.43",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-dinitrooxybutane",
      "cmpd_mwt": "180.12",
      "cmpd_formula": "C4H8N2O6",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCCCCO[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C4H8N2O6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2",
      "cmpd_inchikey": "QELUAJBXJAWSRC-UHFFFAOYSA-N",
      "OH_k298": "6.3e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.9e-11",
      "Cl_uncert": "0.31",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dinitrooxybutane",
      "cmpd_mwt": "180.12",
      "cmpd_formula": "C4H8N2O6",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CC(C(O[N+](=O)[O-])C)O[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C4H8N2O6/c1-3(11-5(7)8)4(2)12-6(9)10/h3-4H,1-2H3",
      "cmpd_inchikey": "RVDDYBGRQLZMSB-UHFFFAOYSA-N",
      "OH_k298": "1.02e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dinitrooxybutane",
      "cmpd_mwt": "180.12",
      "cmpd_formula": "C4H8N2O6",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CCC(O[N+](=O)[O-])CO[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C4H8N2O6/c1-2-4(12-6(9)10)3-11-5(7)8/h4H,2-3H2,1H3",
      "cmpd_inchikey": "CTISQZXTUUHJNC-UHFFFAOYSA-N",
      "OH_k298": "1.63e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol",
      "cmpd_mwt": "182.06",
      "cmpd_formula": "C4H4OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CC(C(F)(F)F)(C(F)(F)F)O",
      "cmpd_inchi": "InChI=1S/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3",
      "cmpd_inchikey": "FQDXJYBXPOMIBX-UHFFFAOYSA-N",
      "OH_k298": "7.84e-15",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "9.19e-18",
      "OH_B": "-2032",
      "OH_n": "10.06",
      "OH_t_low": "230",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.96e-14",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "9.33e-12",
      "Cl_B": "1715",
      "Cl_n": "0",
      "Cl_t_low": "268",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "1,1,1,3,3,3-hexafluoro-2-methoxypropane",
      "cmpd_mwt": "182.06",
      "cmpd_formula": "C4H4OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3",
      "cmpd_inchikey": "VNXYDFNVQBICRO-UHFFFAOYSA-N",
      "OH_k298": "2.14e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.24e-12",
      "OH_B": "523.07371839804",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.01e-12",
      "Cl_uncert": "0.32",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,3,3-hexafluoro-3-methoxypropane",
      "cmpd_mwt": "182.06",
      "cmpd_formula": "C4H4OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(C(F)(F)F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H4F6O/c1-11-4(9,10)2(5)3(6,7)8/h2H,1H3",
      "cmpd_inchikey": "PKMXTDVNDDDCSY-UHFFFAOYSA-N",
      "OH_k298": "2.1e-14",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-13",
      "Cl_uncert": "0.33",
      "Cl_u_fac": "",
      "Cl_A": "8.7e-12",
      "Cl_B": "1112",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane",
      "cmpd_mwt": "182.06",
      "cmpd_formula": "C4H4OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(COCC(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2",
      "cmpd_inchikey": "KGPPDNUWZNWPSI-UHFFFAOYSA-N",
      "OH_k298": "1.4e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.8e-12",
      "OH_B": "890",
      "OH_n": "",
      "OH_t_low": "268",
      "OH_t_high": "409",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7e-13",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-(difluoromethoxy)-1,1,2,2-tetrafluoropropane",
      "cmpd_mwt": "182.06",
      "cmpd_formula": "C4H4OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OCC(C(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C4H4F6O/c5-2(6)4(9,10)1-11-3(7)8/h2-3H,1H2",
      "cmpd_inchikey": "PCTQNZRJAGLDPD-UHFFFAOYSA-N",
      "OH_k298": "1.6e-14",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.82e-12",
      "OH_B": "1410",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,4,4,4-hexafluoro-1-butanol",
      "cmpd_mwt": "182.06",
      "cmpd_formula": "C4H4OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCC(C(C(F)(F)F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2",
      "cmpd_inchikey": "LVFXLZRISXUAIL-UHFFFAOYSA-N",
      "OH_k298": "1.3e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "2.26e-12",
      "OH_B": "848",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.3e-13",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "9.9e-12",
      "Cl_B": "823",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "2,2,2-trifluoroethyl 2,2,2-trifluoroacetate",
      "cmpd_mwt": "196.05",
      "cmpd_formula": "C4H2O2F6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=C(C(F)(F)F)OCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H2F6O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2",
      "cmpd_inchikey": "ZKUJOCJJXCPCFS-UHFFFAOYSA-N",
      "OH_k298": "9.4e-14",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.4e-14",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,4-pentafluorobutane-1,1,2-triol",
      "cmpd_mwt": "196.07",
      "cmpd_formula": "C4H5O3F5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(C(C(F)(F)F)(F)F)C(O)O",
      "cmpd_inchi": "InChI=1S/C4H5F5O3/c5-3(6,4(7,8)9)1(10)2(11)12/h1-2,10-12H",
      "cmpd_inchikey": "OWFCLQKQQYPDSB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,4,4,4-heptafluorobutanal",
      "cmpd_mwt": "198.04",
      "cmpd_formula": "C4HOF7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CC(C(C(F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4HF7O/c5-2(6,1-12)3(7,8)4(9,10)11/h1H",
      "cmpd_inchikey": "IQJZGNJYXIIMGP-UHFFFAOYSA-N",
      "OH_k298": "5.8e-13",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "2.05e-12",
      "OH_B": "378",
      "OH_n": "",
      "OH_t_low": "252",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-12",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1,1,1,2,3,4,4,4-octafluorobut-2-ene",
      "cmpd_mwt": "200.03",
      "cmpd_formula": "C4F8",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "F/C(=C(/C(F)(F)F)\\F)/C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1-",
      "cmpd_inchikey": "WSJULBMCKQTTIG-UPHRSURJSA-N",
      "OH_k298": "3.57e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.79e-14",
      "OH_B": "-760",
      "OH_n": "2.61",
      "OH_t_low": "230",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.28e-12",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1,1,1,2,3,4,4,4-octafluorobut-2-ene",
      "cmpd_mwt": "200.03",
      "cmpd_formula": "C4F8",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "F/C(=C(\\C(F)(F)F)/F)/C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+",
      "cmpd_inchikey": "WSJULBMCKQTTIG-OWOJBTEDSA-N",
      "OH_k298": "5.26e-13",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "6.75e-14",
      "OH_B": "-612",
      "OH_n": "1.68",
      "OH_t_low": "230",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.87e-12",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,3,3,3-heptafluoro-2-methoxypropane",
      "cmpd_mwt": "200.05",
      "cmpd_formula": "C4H3OF7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(F)(F)F)(C(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C4H3F7O/c1-12-2(5,3(6,7)8)4(9,10)11/h1H3",
      "cmpd_inchikey": "HRXXERHTOVVTQF-UHFFFAOYSA-N",
      "OH_k298": "1.5e-14",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.3e-12",
      "OH_B": "1330",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.8e-13",
      "Cl_uncert": "0.23",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,3,3-heptafluoro-3-methoxypropane",
      "cmpd_mwt": "200.05",
      "cmpd_formula": "C4H3OF7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(C(F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3",
      "cmpd_inchikey": "NOPJRYAFUXTDLX-UHFFFAOYSA-N",
      "OH_k298": "1.1e-14",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "1.4e-12",
      "OH_B": "1440",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.17e-13",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "5.19e-13",
      "Cl_B": "445",
      "Cl_n": "",
      "Cl_t_low": "270",
      "Cl_t_high": "330"
    },
    {
      "cmpd_name": "1,1,2,2-tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane",
      "cmpd_mwt": "200.05",
      "cmpd_formula": "C4H3OF7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C(OCC(F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2",
      "cmpd_inchikey": "CWIFAKBLLXGZIC-UHFFFAOYSA-N",
      "OH_k298": "9.5e-15",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.32e-12",
      "OH_B": "1470",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.6e-15",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "1.95e-12",
      "Cl_B": "1616",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "3-(difluoromethoxy)-1,1,1,2,2-pentafluoropropane",
      "cmpd_mwt": "200.05",
      "cmpd_formula": "C4H3OF7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OCC(C(F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C4H3F7O/c5-2(6)12-1-3(7,8)4(9,10)11/h2H,1H2",
      "cmpd_inchikey": "NKEBKUGEYSHGKA-UHFFFAOYSA-N",
      "OH_k298": "1e-14",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.6e-12",
      "OH_B": "1510",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "sevoflurane",
      "cmpd_mwt": "200.05",
      "cmpd_formula": "C4H3OF7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FCOC(C(F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2",
      "cmpd_inchikey": "DFEYYRMXOJXZRJ-UHFFFAOYSA-N",
      "OH_k298": "3.5e-14",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "8.77e-13",
      "OH_B": "960",
      "OH_n": "",
      "OH_t_low": "241",
      "OH_t_high": "422",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-13",
      "Cl_uncert": "0.27",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,4,4,4-heptafluoro-1-butanol",
      "cmpd_mwt": "200.05",
      "cmpd_formula": "C4H3OF7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCC(C(C(F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2",
      "cmpd_inchikey": "WXJFKAZDSQLPBX-UHFFFAOYSA-N",
      "OH_k298": "1e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.15e-12",
      "OH_B": "730",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "368",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.35e-13",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "1.9e-12",
      "Cl_B": "244",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "353"
    },
    {
      "cmpd_name": "1,1,2,2,3,3,4,4-octafluorobutane",
      "cmpd_mwt": "202.05",
      "cmpd_formula": "C4H2F8",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(C(C(F)F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C4H2F8/c5-1(6)3(9,10)4(11,12)2(7)8/h1-2H",
      "cmpd_inchikey": "LKLFXAVIFCLZQS-UHFFFAOYSA-N",
      "OH_k298": "4.3e-15",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "7.82e-13",
      "OH_B": "1548",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "420",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-bromo-3,3,4,4-tetrafluoro-1-butene",
      "cmpd_mwt": "206.96",
      "cmpd_formula": "C4H3F4Br",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "C=CC(C(Br)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H3BrF4/c1-2-3(6,7)4(5,8)9/h2H,1H2",
      "cmpd_inchikey": "GVCWGFZDSIWLMO-UHFFFAOYSA-N",
      "OH_k298": "1.7e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "8.7e-13",
      "OH_B": "-200",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2,2,3,3,3-heptafluoropropyl formate",
      "cmpd_mwt": "214.04",
      "cmpd_formula": "C4HO2F7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=COC(C(C(F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4HF7O2/c5-2(6,3(7,8)9)4(10,11)13-1-12/h1H",
      "cmpd_inchikey": "QRPXLOVCJSWXTK-UHFFFAOYSA-N",
      "OH_k298": "2.02e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.45e-12",
      "OH_B": "1274",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.1e-15",
      "Cl_uncert": "0.35",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,4,4,4-heptafluorobutanoic acid",
      "cmpd_mwt": "214.04",
      "cmpd_formula": "C4HO2F7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(=O)C(C(C(F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)",
      "cmpd_inchikey": "YPJUNDFVDDCYIH-UHFFFAOYSA-N",
      "OH_k298": "1.5e-13",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane",
      "cmpd_mwt": "218.05",
      "cmpd_formula": "C4H2OF8",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C(OC(C(F)(F)F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C4H2F8O/c5-1(6)4(11,12)13-2(7)3(8,9)10/h1-2H",
      "cmpd_inchikey": "MZCHBFQEZMHILC-UHFFFAOYSA-N",
      "OH_k298": "4.1e-15",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "5.5e-13",
      "OH_B": "1462",
      "OH_n": "",
      "OH_t_low": "267",
      "OH_t_high": "407",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-(difluoromethoxy)-1,1,1,3,3,3-hexafluoropropane",
      "cmpd_mwt": "218.05",
      "cmpd_formula": "C4H2OF8",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(C(F)(F)F)C(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C4H2F8O/c5-2(6)13-1(3(7,8)9)4(10,11)12/h1-2H",
      "cmpd_inchikey": "UNIYHTKWMKXESF-UHFFFAOYSA-N",
      "OH_k298": "2.8e-15",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.03e-12",
      "OH_B": "1760",
      "OH_n": "",
      "OH_t_low": "284",
      "OH_t_high": "398",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-(difluoromethoxy)-1,1,2,3,3,3-hexafluoropropane",
      "cmpd_mwt": "218.05",
      "cmpd_formula": "C4H2OF8",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(C(C(F)(F)F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C4H2F8O/c5-1(3(8,9)10)4(11,12)13-2(6)7/h1-2H",
      "cmpd_inchikey": "WSIIYENBWBHASS-UHFFFAOYSA-N",
      "OH_k298": "1.6e-15",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.3e-17",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-bromo-3,3,4,4,4-pentafluoro-1-butene",
      "cmpd_mwt": "224.95",
      "cmpd_formula": "C4H2F5Br",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "BrC(=C)C(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H2BrF5/c1-2(5)3(6,7)4(8,9)10/h1H2",
      "cmpd_inchikey": "AAYAPGNGKQASNS-UHFFFAOYSA-N",
      "OH_k298": "3.3e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "9.5e-13",
      "OH_B": "-370",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.87e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-bis(difluoromethoxy)-1,1,2,2-tetrafluoroethane",
      "cmpd_mwt": "234.04",
      "cmpd_formula": "C4H2O2F8",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(C(OC(F)F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C4H2F8O2/c5-1(6)13-3(9,10)4(11,12)14-2(7)8/h1-2H",
      "cmpd_inchikey": "YLKPVUPQPLZCQV-UHFFFAOYSA-N",
      "OH_k298": "4.7e-15",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,3,3-hexafluoro-3-(trifluoromethoxy)propane",
      "cmpd_mwt": "236.04",
      "cmpd_formula": "C4HOF9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C(OC(F)(F)F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4HF9O/c5-1(2(6,7)8)3(9,10)14-4(11,12)13/h1H",
      "cmpd_inchikey": "XDHKPUUGCABIMF-UHFFFAOYSA-N",
      "OH_k298": "1.55e-15",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "4.1e-13",
      "OH_B": "1662",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "406",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propane",
      "cmpd_mwt": "236.04",
      "cmpd_formula": "C4HOF9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(C(F)(F)F)C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4HF9O/c5-2(6,7)1(3(8,9)10)14-4(11,12)13/h1H",
      "cmpd_inchikey": "IWMGNKJZYDDBBM-UHFFFAOYSA-N",
      "OH_k298": "3e-16",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.3e-18",
      "Cl_uncert": "",
      "Cl_u_fac": "1.5",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)-2-propanol",
      "cmpd_mwt": "236.04",
      "cmpd_formula": "C4HOF9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4HF9O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H",
      "cmpd_inchikey": "XZNOAVNRSFURIR-UHFFFAOYSA-N",
      "OH_k298": "8.4e-16",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylenecyclobutane",
      "cmpd_mwt": "68.12",
      "cmpd_formula": "C5H8",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C=C1CCC1",
      "cmpd_inchi": "InChI=1S/C5H8/c1-5-3-2-4-5/h1-4H2",
      "cmpd_inchikey": "QIRVGKYPAOQVNP-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.9e-17",
      "O3_uncert": "0.42",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.2e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-1,2-butadiene",
      "cmpd_mwt": "68.12",
      "cmpd_formula": "C5H8",
      "cmpd_type": "allene",
      "cmpd_smiles": "C=C=C(C)C",
      "cmpd_inchi": "InChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3",
      "cmpd_inchikey": "PAKGDPSCXSUALC-UHFFFAOYSA-N",
      "OH_k298": "5.7e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1,3-pentadiene",
      "cmpd_mwt": "68.12",
      "cmpd_formula": "C5H8",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "C/C=C\\C=C",
      "cmpd_inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-",
      "cmpd_inchikey": "PMJHHCWVYXUKFD-PLNGDYQASA-N",
      "OH_k298": "1.07e-10",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.67e-11",
      "OH_B": "-555",
      "OH_n": "",
      "OH_t_low": "294",
      "OH_t_high": "468",
      "O3_k298": "2.8e-17",
      "O3_uncert": "0.14",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.6e-12",
      "NO3_uncert": "0.31",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(3E)-penta-1,3-diene",
      "cmpd_mwt": "68.12",
      "cmpd_formula": "C5H8",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "C/C=C/C=C",
      "cmpd_inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+",
      "cmpd_inchikey": "PMJHHCWVYXUKFD-SNAWJCMRSA-N",
      "OH_k298": "1.16e-10",
      "OH_uncert": "0.37",
      "OH_u_fac": "",
      "OH_A": "1.41e-11",
      "OH_B": "-628",
      "OH_n": "",
      "OH_t_low": "294",
      "OH_t_high": "468",
      "O3_k298": "4.31e-17",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "2.1e-15",
      "O3_B": "1158",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "324",
      "NO3_k298": "1.8e-12",
      "NO3_uncert": "0.33",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-pentadiene",
      "cmpd_mwt": "68.12",
      "cmpd_formula": "C5H8",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=CCC=C",
      "cmpd_inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2",
      "cmpd_inchikey": "QYZLKGVUSQXAMU-UHFFFAOYSA-N",
      "OH_k298": "5.41e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.04e-11",
      "OH_B": "-492",
      "OH_n": "",
      "OH_t_low": "294",
      "OH_t_high": "468",
      "O3_k298": "1.45e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.3e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclopentene",
      "cmpd_mwt": "68.12",
      "cmpd_formula": "C5H8",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C1CC=CC1",
      "cmpd_inchi": "InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2",
      "cmpd_inchikey": "LPIQUOYDBNQMRZ-UHFFFAOYSA-N",
      "OH_k298": "6.7e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.6e-16",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "1.78e-15",
      "O3_B": "345",
      "O3_n": "",
      "O3_t_low": "270",
      "O3_t_high": "330",
      "NO3_k298": "4.8e-13",
      "NO3_uncert": "0.33",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.7e-10",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isoprene",
      "cmpd_mwt": "68.12",
      "cmpd_formula": "C5H8",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "C=CC(=C)C",
      "cmpd_inchi": "InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3",
      "cmpd_inchikey": "RRHGJUQNOFWUDK-UHFFFAOYSA-N",
      "OH_k298": "1e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.7e-11",
      "OH_B": "-390",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "430",
      "O3_k298": "1.28e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "1.05e-14",
      "O3_B": "2000",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "360",
      "NO3_k298": "6.5e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.4",
      "NO3_A": "2.95e-12",
      "NO3_B": "450",
      "NO3_n": "",
      "NO3_t_low": "250",
      "NO3_t_high": "390",
      "Cl_k298": "4.1e-10",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "7.6e-11",
      "Cl_B": "-500",
      "Cl_n": "",
      "Cl_t_low": "233",
      "Cl_t_high": "320"
    },
    {
      "cmpd_name": "1,2-pentadiene",
      "cmpd_mwt": "68.12",
      "cmpd_formula": "C5H8",
      "cmpd_type": "allene",
      "cmpd_smiles": "CCC=C=C",
      "cmpd_inchi": "InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3",
      "cmpd_inchikey": "LVMTVPFRTKXRPH-UHFFFAOYSA-N",
      "OH_k298": "3.6e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z/E)-1,3-pentadiene",
      "cmpd_mwt": "68.12",
      "cmpd_formula": "C5H8",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "CC=CC=C",
      "cmpd_inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3",
      "cmpd_inchikey": "PMJHHCWVYXUKFD-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.3e-17",
      "O3_uncert": "0.35",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-pentyne",
      "cmpd_mwt": "68.12",
      "cmpd_formula": "C5H8",
      "cmpd_type": "alkyne",
      "cmpd_smiles": "CCCC#C",
      "cmpd_inchi": "InChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3",
      "cmpd_inchikey": "IBXNCJKFFQIKKY-UHFFFAOYSA-N",
      "OH_k298": "9.62e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.2e-16",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "2.98e-11",
      "NO3_B": "3212",
      "NO3_n": "",
      "NO3_t_low": "295",
      "NO3_t_high": "473",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclopentane",
      "cmpd_mwt": "70.13",
      "cmpd_formula": "C5H10",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CCCC1",
      "cmpd_inchi": "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2",
      "cmpd_inchikey": "RGSFGYAAUTVSQA-UHFFFAOYSA-N",
      "OH_k298": "4.77e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.84e-12",
      "OH_B": "-288",
      "OH_n": "2.13",
      "OH_t_low": "222",
      "OH_t_high": "1341",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.45e-16",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.9e-10",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "2.9e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "249",
      "Cl_t_high": "364"
    },
    {
      "cmpd_name": "3-methyl-1-butene",
      "cmpd_mwt": "70.13",
      "cmpd_formula": "C5H10",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "C=CC(C)C",
      "cmpd_inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3",
      "cmpd_inchikey": "YHQXBTXEYZIYOV-UHFFFAOYSA-N",
      "OH_k298": "3.18e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "5.32e-12",
      "OH_B": "-533",
      "OH_n": "",
      "OH_t_low": "299",
      "OH_t_high": "423",
      "O3_k298": "7.3e-18",
      "O3_uncert": "0.37",
      "O3_u_fac": "",
      "O3_A": "7.24e-14",
      "O3_B": "2741",
      "O3_n": "",
      "O3_t_low": "296",
      "O3_t_high": "349",
      "NO3_k298": "1.4e-14",
      "NO3_uncert": "0.29",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.29e-10",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-2-pentene",
      "cmpd_mwt": "70.13",
      "cmpd_formula": "C5H10",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CC/C=C\\C",
      "cmpd_inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-",
      "cmpd_inchikey": "QMMOXUPEWRXHJS-HYXAFXHYSA-N",
      "OH_k298": "6.5e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.28e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "3.7e-15",
      "O3_B": "1002",
      "O3_n": "",
      "O3_t_low": "278",
      "O3_t_high": "353",
      "NO3_k298": "6.8e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-pentene",
      "cmpd_mwt": "70.13",
      "cmpd_formula": "C5H10",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CC/C=C/C",
      "cmpd_inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+",
      "cmpd_inchikey": "QMMOXUPEWRXHJS-HWKANZROSA-N",
      "OH_k298": "6.7e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.59e-16",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "7.1e-15",
      "O3_B": "1132",
      "O3_n": "",
      "O3_t_low": "278",
      "O3_t_high": "353",
      "NO3_k298": "3.9e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-2-butene",
      "cmpd_mwt": "70.13",
      "cmpd_formula": "C5H10",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CC=C(C)C",
      "cmpd_inchi": "InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3",
      "cmpd_inchikey": "BKOOMYPCSUNDGP-UHFFFAOYSA-N",
      "OH_k298": "8.69e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.92e-11",
      "OH_B": "-450",
      "OH_n": "",
      "OH_t_low": "299",
      "OH_t_high": "426",
      "O3_k298": "4.03e-16",
      "O3_uncert": "0.35",
      "O3_u_fac": "",
      "O3_A": "6.51e-15",
      "O3_B": "829",
      "O3_n": "",
      "O3_t_low": "227",
      "O3_t_high": "363",
      "NO3_k298": "9.4e-12",
      "NO3_uncert": "0.35",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.8e-10",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-butene",
      "cmpd_mwt": "70.13",
      "cmpd_formula": "C5H10",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCC(=C)C",
      "cmpd_inchi": "InChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3",
      "cmpd_inchikey": "MHNNAWXXUZQSNM-UHFFFAOYSA-N",
      "OH_k298": "6.1e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.37e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "6.18e-15",
      "O3_B": "1822",
      "O3_n": "",
      "O3_t_low": "278",
      "O3_t_high": "353",
      "NO3_k298": "5e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.58e-10",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-pentene",
      "cmpd_mwt": "70.13",
      "cmpd_formula": "C5H10",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCC=C",
      "cmpd_inchi": "InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3",
      "cmpd_inchikey": "YWAKXRMUMFPDSH-UHFFFAOYSA-N",
      "OH_k298": "3.22e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.06e-13",
      "OH_B": "-1709.9",
      "OH_n": "3.08",
      "OH_t_low": "262",
      "OH_t_high": "1379",
      "O3_k298": "1.06e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "2.13e-15",
      "O3_B": "1580",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "353",
      "NO3_k298": "1.5e-14",
      "NO3_uncert": "0.33",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.2e-10",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dimethylpropane",
      "cmpd_mwt": "72.15",
      "cmpd_formula": "C5H12",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C5H12/c1-5(2,3)4/h1-4H3",
      "cmpd_inchikey": "CRSOQBOWXPBRES-UHFFFAOYSA-N",
      "OH_k298": "9.1e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.3e-12",
      "OH_B": "102",
      "OH_n": "2.1",
      "OH_t_low": "287",
      "OH_t_high": "1259",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-10",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "1.1e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "193",
      "Cl_t_high": "593"
    },
    {
      "cmpd_name": "2-methylbutane",
      "cmpd_mwt": "72.15",
      "cmpd_formula": "C5H12",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCC(C)C",
      "cmpd_inchi": "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3",
      "cmpd_inchikey": "QWTDNUCVQCZILF-UHFFFAOYSA-N",
      "OH_k298": "3.74e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.01e-11",
      "OH_B": "296",
      "OH_n": "",
      "OH_t_low": "213",
      "OH_t_high": "407",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.7e-16",
      "NO3_uncert": "0.18",
      "NO3_u_fac": "",
      "NO3_A": "1.5e-12",
      "NO3_B": "2707",
      "NO3_n": "",
      "NO3_t_low": "298",
      "NO3_t_high": "423",
      "Cl_k298": "2.1e-10",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-pentane",
      "cmpd_mwt": "72.15",
      "cmpd_formula": "C5H12",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCCC",
      "cmpd_inchi": "InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3",
      "cmpd_inchikey": "OFBQJSOFQDEBGM-UHFFFAOYSA-N",
      "OH_k298": "3.76e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.58e-12",
      "OH_B": "-115.8",
      "OH_n": "1.83",
      "OH_t_low": "233",
      "OH_t_high": "1364",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8.3e-17",
      "NO3_uncert": "0.22",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.7e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylfuran",
      "cmpd_mwt": "82.1",
      "cmpd_formula": "C5H6O",
      "cmpd_type": "furan",
      "cmpd_smiles": "Cc1ccco1",
      "cmpd_inchi": "InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3",
      "cmpd_inchikey": "VQKFNUFAXTZWDK-UHFFFAOYSA-N",
      "OH_k298": "7e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.42e-11",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.9e-10",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methylfuran",
      "cmpd_mwt": "82.1",
      "cmpd_formula": "C5H6O",
      "cmpd_type": "furan",
      "cmpd_smiles": "Cc1cocc1",
      "cmpd_inchi": "InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3",
      "cmpd_inchikey": "KJRRQXYWFQKJIP-UHFFFAOYSA-N",
      "OH_k298": "9.53e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "3.37e-11",
      "OH_B": "-310",
      "OH_n": "",
      "OH_t_low": "273",
      "OH_t_high": "368",
      "O3_k298": "2e-17",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.26e-11",
      "NO3_uncert": "0.14",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-3-penten-2-one",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "C/C=C/C(=O)C",
      "cmpd_inchi": "InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+",
      "cmpd_inchikey": "LABTWGUMFABVFG-ONEGZZNKSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1e-14",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-3-buten-2-one",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC(=O)C(=C)C",
      "cmpd_inchi": "InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3",
      "cmpd_inchikey": "ZGHFDIIVVIFNPS-UHFFFAOYSA-N",
      "OH_k298": "5e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.18e-17",
      "O3_uncert": "0.18",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8.3e-15",
      "NO3_uncert": "",
      "NO3_u_fac": "1.75",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.38e-10",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-2-butenal",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=CC=C(C)C",
      "cmpd_inchi": "InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3",
      "cmpd_inchikey": "SEPQTYODOKLVSB-UHFFFAOYSA-N",
      "OH_k298": "6.21e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.82e-18",
      "O3_uncert": "0.14",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.74e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-methyl-2-butenal",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "C/C=C(/C=O)\\C",
      "cmpd_inchi": "InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+",
      "cmpd_inchikey": "ACWQBUSCFPJUPN-HWKANZROSA-N",
      "OH_k298": "4.08e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "6.9e-12",
      "OH_B": "-526",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "353",
      "O3_k298": "5.34e-18",
      "O3_uncert": "0.14",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-penten-2-one",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC=CC(=O)C",
      "cmpd_inchi": "InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3",
      "cmpd_inchikey": "LABTWGUMFABVFG-UHFFFAOYSA-N",
      "OH_k298": "5.95e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.08e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.5e-10",
      "Cl_uncert": "0.32",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-methyl-2,3-dihydrofuran",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "CC1=CCCO1",
      "cmpd_inchi": "InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3",
      "cmpd_inchikey": "BGCWDXXJMUHZHE-UHFFFAOYSA-N",
      "OH_k298": "2.18e-10",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.5e-15",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.68e-10",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-penten-3-one",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CCC(=O)C=C",
      "cmpd_inchi": "InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3",
      "cmpd_inchikey": "JLIDVCMBCGBIEY-UHFFFAOYSA-N",
      "OH_k298": "2.62e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "4.77e-12",
      "OH_B": "-507",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "353",
      "O3_k298": "6e-18",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.9e-17",
      "NO3_uncert": "0.28",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.9e-10",
      "Cl_uncert": "0.41",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-pentenal",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "CC/C=C/C=O",
      "cmpd_inchi": "InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+",
      "cmpd_inchikey": "DTCCTIQRPGSLPT-ONEGZZNKSA-N",
      "OH_k298": "4.4e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "7.9e-12",
      "OH_B": "-510",
      "OH_n": "",
      "OH_t_low": "244",
      "OH_t_high": "374",
      "O3_k298": "1.45e-18",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "1.63e-16",
      "O3_B": "1406",
      "O3_n": "",
      "O3_t_low": "273",
      "O3_t_high": "353",
      "NO3_k298": "1.7e-14",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.92e-10",
      "Cl_uncert": "0.46",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclopentanone",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "O=C1CCCC1",
      "cmpd_inchi": "InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2",
      "cmpd_inchikey": "BGTOWKSIORTVQH-UHFFFAOYSA-N",
      "OH_k298": "2.9e-12",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-10",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclobutanecarbaldehde",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "O=CC1CCC1",
      "cmpd_inchi": "InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2",
      "cmpd_inchikey": "INVYSLWXPIEDIQ-UHFFFAOYSA-N",
      "OH_k298": "2.63e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.06e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "oxane",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "ether",
      "cmpd_smiles": "C1CCCOC1",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2",
      "cmpd_inchikey": "DHXVGJBLRPWPCS-UHFFFAOYSA-N",
      "OH_k298": "1.2e-11",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "7.8e-12",
      "OH_B": "-136",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.26e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-3-buten-1-ol",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC(=C)CCO",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3",
      "cmpd_inchikey": "CPJRRXSHAYUTGL-UHFFFAOYSA-N",
      "OH_k298": "9.4e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "6.1e-12",
      "OH_B": "-814",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "369",
      "O3_k298": "6.8e-18",
      "O3_uncert": "0.19",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.6e-13",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.27e-10",
      "Cl_uncert": "0.35",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dimethylpropanal",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "O=CC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3",
      "cmpd_inchikey": "FJJYHTVHBVXEEQ-UHFFFAOYSA-N",
      "OH_k298": "2.78e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "5.3e-12",
      "OH_B": "-494",
      "OH_n": "",
      "OH_t_low": "243",
      "OH_t_high": "425",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.4e-14",
      "NO3_uncert": "0.2",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.42e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-3-buten-2-ol",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "C=CC(O)(C)C",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3",
      "cmpd_inchikey": "HNVRRHSXBLFLIG-UHFFFAOYSA-N",
      "OH_k298": "6.3e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "8.1e-12",
      "OH_B": "-610",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "300",
      "O3_k298": "1e-17",
      "O3_uncert": "",
      "O3_u_fac": "1.6",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.2e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.6",
      "NO3_A": "4.6e-14",
      "NO3_B": "400",
      "NO3_n": "",
      "NO3_t_low": "260",
      "NO3_t_high": "400",
      "Cl_k298": "3.01e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-2-buten-1-ol",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "OCC=C(C)C",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3",
      "cmpd_inchikey": "ASUAYTHWZCLXAN-UHFFFAOYSA-N",
      "OH_k298": "1.6e-10",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.6e-13",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.49e-10",
      "Cl_uncert": "0.4",
      "Cl_u_fac": "",
      "Cl_A": "4.49e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "257",
      "Cl_t_high": "299"
    },
    {
      "cmpd_name": "3-methyl-2-butanone",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CC(=O)C(C)C",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3",
      "cmpd_inchikey": "SYBYTAAJFKOIEJ-UHFFFAOYSA-N",
      "OH_k298": "3e-12",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "1.45e-12",
      "OH_B": "-219",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.8e-11",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methylbutanal",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "O=CCC(C)C",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3",
      "cmpd_inchikey": "YGHRJJRRZDOVPD-UHFFFAOYSA-N",
      "OH_k298": "2.59e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.19e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "4.9e-11",
      "NO3_B": "2300",
      "NO3_n": "",
      "NO3_t_low": "298",
      "NO3_t_high": "433",
      "Cl_k298": "2.07e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "1.3",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-2-penten-1-ol",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC/C=C\\CO",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-",
      "cmpd_inchikey": "BTSIZIIPFNVMHF-ARJAWSKDSA-N",
      "OH_k298": "1.17e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.35e-16",
      "O3_uncert": "0.35",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.56e-13",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.3e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyloxolane",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC1CCCO1",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3",
      "cmpd_inchikey": "JWUJQDFVADABEY-UHFFFAOYSA-N",
      "OH_k298": "2.46e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.57e-12",
      "OH_B": "-673",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.65e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-pentanone",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CCC(=O)CC",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "FDPIMTJIUBPUKL-UHFFFAOYSA-N",
      "OH_k298": "2e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "6.6e-11",
      "Cl_B": "-58",
      "Cl_n": "",
      "Cl_t_low": "210",
      "Cl_t_high": "440"
    },
    {
      "cmpd_name": "2-methylbutanal",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CC(C=O)CC",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3",
      "cmpd_inchikey": "BYGQBDHUGHBGMD-UHFFFAOYSA-N",
      "OH_k298": "3.33e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.67e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "3e-11",
      "NO3_B": "2100",
      "NO3_n": "",
      "NO3_t_low": "298",
      "NO3_t_high": "433",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-penten-3-ol",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CCC(C=C)O",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3",
      "cmpd_inchikey": "VHVMXWZXFBOANQ-UHFFFAOYSA-N",
      "OH_k298": "6.33e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "7.11e-12",
      "OH_B": "-651.21891846488",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "353",
      "O3_k298": "1.69e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.4e-14",
      "NO3_uncert": "0.43",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.74e-10",
      "Cl_uncert": "0.35",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-penten-1-ol",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CCC=CCO",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3",
      "cmpd_inchikey": "BTSIZIIPFNVMHF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-pentanone",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CCCC(=O)C",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3",
      "cmpd_inchikey": "XNLICIUVMPYHGG-UHFFFAOYSA-N",
      "OH_k298": "4.1e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "3.8e-13",
      "OH_B": "-705",
      "OH_n": "",
      "OH_t_low": "248",
      "OH_t_high": "323",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.16e-10",
      "Cl_uncert": "0.29",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-pentanal",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CCCCC=O",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3",
      "cmpd_inchikey": "HGBOYTHUEUWSSQ-UHFFFAOYSA-N",
      "OH_k298": "2.66e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "8.6e-12",
      "OH_B": "-336",
      "OH_n": "",
      "OH_t_low": "243",
      "OH_t_high": "410",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.62e-14",
      "NO3_uncert": "0.2",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.4e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "5.3e-11",
      "Cl_B": "-450",
      "Cl_n": "",
      "Cl_t_low": "265",
      "Cl_t_high": "381"
    },
    {
      "cmpd_name": "1-ethenoxypropane",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "CCCOC=C",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3",
      "cmpd_inchikey": "OVGRCEFMXPHEBL-UHFFFAOYSA-N",
      "OH_k298": "1e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "9.3e-12",
      "OH_B": "-708",
      "OH_n": "",
      "OH_t_low": "233",
      "OH_t_high": "373",
      "O3_k298": "2.3e-16",
      "O3_uncert": "0.39",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.7e-12",
      "NO3_uncert": "0.31",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.23e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "1.9e-9",
      "Cl_B": "450",
      "Cl_n": "",
      "Cl_t_low": "253",
      "Cl_t_high": "298"
    },
    {
      "cmpd_name": "1-ethoxy-1-propene",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "CCOC=CC",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3",
      "cmpd_inchikey": "XDHOEHJVXXTEDV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclopentanol",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OC1CCCC1",
      "cmpd_inchi": "InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2",
      "cmpd_inchikey": "XCIXKGXIYUWCLL-UHFFFAOYSA-N",
      "OH_k298": "1.1e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dimethyl-1-propanol",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C5H12O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OCC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3",
      "cmpd_inchikey": "KPSSIOMAKSHJJG-UHFFFAOYSA-N",
      "OH_k298": "5.49e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "5e-12",
      "OH_B": "-28",
      "OH_n": "",
      "OH_t_low": "293",
      "OH_t_high": "377",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-2-butanol",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C5H12O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CC(C(C)C)O",
      "cmpd_inchi": "InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3",
      "cmpd_inchikey": "MXLMTQWGSQIYOW-UHFFFAOYSA-N",
      "OH_k298": "1.19e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.5e-12",
      "OH_B": "-464",
      "OH_n": "",
      "OH_t_low": "254",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.2e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "6.6e-11",
      "Cl_B": "-177",
      "Cl_n": "",
      "Cl_t_low": "267",
      "Cl_t_high": "384"
    },
    {
      "cmpd_name": "3-methyl-1-butanol",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C5H12O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OCCC(C)C",
      "cmpd_inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "PHTQWCKDNZKARW-UHFFFAOYSA-N",
      "OH_k298": "1.39e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.5e-12",
      "OH_B": "-664",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "368",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.28e-15",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.5e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-2-butanol",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C5H12O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCC(O)(C)C",
      "cmpd_inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3",
      "cmpd_inchikey": "MSXVEPNJUHWQHW-UHFFFAOYSA-N",
      "OH_k298": "3.42e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "2e-12",
      "OH_B": "-160",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "354",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.3e-11",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "2.4e-11",
      "Cl_B": "-331",
      "Cl_n": "",
      "Cl_t_low": "267",
      "Cl_t_high": "384"
    },
    {
      "cmpd_name": "3-pentanol",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C5H12O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCC(CC)O",
      "cmpd_inchi": "InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "AQIXEPGDORPWBJ-UHFFFAOYSA-N",
      "OH_k298": "1.3e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-pentanol",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C5H12O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCC(O)C",
      "cmpd_inchi": "InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "JYVLIDXNZAXMDK-UHFFFAOYSA-N",
      "OH_k298": "1.1e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.2e-10",
      "Cl_uncert": "0.27",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-pentanol",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C5H12O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCCCO",
      "cmpd_inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3",
      "cmpd_inchikey": "AMQJEAYHLZJPGS-UHFFFAOYSA-N",
      "OH_k298": "1.1e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.4e-10",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methoxybutane",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C5H12O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCCCOC",
      "cmpd_inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3",
      "cmpd_inchikey": "CXBDYQVECUFKRK-UHFFFAOYSA-N",
      "OH_k298": "1.45e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.01e-11",
      "OH_B": "-107",
      "OH_n": "",
      "OH_t_low": "247",
      "OH_t_high": "353",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.88e-15",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.86e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl t-butyl ether",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C5H12O",
      "cmpd_type": "ether",
      "cmpd_smiles": "COC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3",
      "cmpd_inchikey": "BZLVMXJERCGZMT-UHFFFAOYSA-N",
      "OH_k298": "3.1e-12",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "1.87e-13",
      "OH_B": "-843",
      "OH_n": "3.34",
      "OH_t_low": "231",
      "OH_t_high": "753",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "7e-16",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "2.5e-12",
      "NO3_B": "2435",
      "NO3_n": "",
      "NO3_t_low": "258",
      "NO3_t_high": "373",
      "Cl_k298": "1.5e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "furfural",
      "cmpd_mwt": "96.08",
      "cmpd_formula": "C5H4O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "O=Cc1ccco1",
      "cmpd_inchi": "InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H",
      "cmpd_inchikey": "HYBBIBNJHNGZAN-UHFFFAOYSA-N",
      "OH_k298": "3.5e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.5e-11",
      "Cl_uncert": "0.31",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-furfural",
      "cmpd_mwt": "96.08",
      "cmpd_formula": "C5H4O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "O=Cc1cocc1",
      "cmpd_inchi": "InChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H",
      "cmpd_inchikey": "AZVSIHIBYRHSLB-UHFFFAOYSA-N",
      "OH_k298": "4.9e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.41e-12",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.9e-11",
      "Cl_uncert": "0.31",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z/E)-4-oxo-2-pentenal",
      "cmpd_mwt": "98.1",
      "cmpd_formula": "C5H6O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "O=CC=CC(=O)C",
      "cmpd_inchi": "InChI=1S/C5H6O2/c1-5(7)3-2-4-6/h2-4H,1H3",
      "cmpd_inchikey": "GBLMMVFQENXAFZ-UHFFFAOYSA-N",
      "OH_k298": "6.2e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.8e-18",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-methyl-3H-furan-2-one",
      "cmpd_mwt": "98.1",
      "cmpd_formula": "C5H6O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "O=C1CC=C(O1)C",
      "cmpd_inchi": "InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3",
      "cmpd_inchikey": "QOTQFLOTGBBMEX-UHFFFAOYSA-N",
      "OH_k298": "6.78e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.01e-12",
      "NO3_uncert": "0.2",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methyl-2-pyrrolidone",
      "cmpd_mwt": "99.13",
      "cmpd_formula": "C5H9NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "O=C1CCCN1C",
      "cmpd_inchi": "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3",
      "cmpd_inchikey": "SECXISVLQFMRJM-UHFFFAOYSA-N",
      "OH_k298": "2.3e-11",
      "OH_uncert": "0.22",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.5e-13",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "6.1e-11",
      "NO3_B": "1792",
      "NO3_n": "",
      "NO3_t_low": "296",
      "NO3_t_high": "353",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropenyl acetate",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CC(=C)OC(=O)C",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3",
      "cmpd_inchikey": "HETCEOQFVDFGSY-UHFFFAOYSA-N",
      "OH_k298": "6.72e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.36e-12",
      "OH_B": "-815",
      "OH_n": "",
      "OH_t_low": "243",
      "OH_t_high": "372",
      "O3_k298": "7e-19",
      "O3_uncert": "0.43",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.23e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.44e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "oxopentanal",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "O=CCCC(=O)C",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-5(7)3-2-4-6/h4H,2-3H2,1H3",
      "cmpd_inchikey": "KEHNRUNQZGRQHU-UHFFFAOYSA-N",
      "OH_k298": "1.2e-11",
      "OH_uncert": "0.42",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.1e-15",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "allyl acetate",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CC(=O)OCC=C",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3",
      "cmpd_inchikey": "FWZUNOYOVVKUNF-UHFFFAOYSA-N",
      "OH_k298": "2.82e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.41e-12",
      "OH_B": "-732",
      "OH_n": "",
      "OH_t_low": "243",
      "OH_t_high": "372",
      "O3_k298": "2.15e-18",
      "O3_uncert": "0.23",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.1e-14",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.9e-10",
      "Cl_uncert": "0.45",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-hydroxy-3-penten-2-one",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "CC(=CC(=O)C)O",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3,6H,1-2H3",
      "cmpd_inchikey": "POILWHVDKZOXJZ-UHFFFAOYSA-N",
      "OH_k298": "9e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "3.3e-12",
      "OH_B": "-985",
      "OH_n": "",
      "OH_t_low": "285",
      "OH_t_high": "310",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "gamma-valerolactone",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CC1CCC(=O)O1",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3",
      "cmpd_inchikey": "GAEKPEKOJKCEMS-UHFFFAOYSA-N",
      "OH_k298": "2.91e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.41e-11",
      "Cl_uncert": "0.48",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyloxolan-2-one",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "O=C1OCCC1C",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3",
      "cmpd_inchikey": "QGLBZNZGBLRJGS-UHFFFAOYSA-N",
      "OH_k298": "1.81e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.42e-11",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "vinyl propanoate",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCC(=O)OC=C",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3",
      "cmpd_inchikey": "UIWXSTHGICQLQT-UHFFFAOYSA-N",
      "OH_k298": "2.46e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.3e-18",
      "O3_uncert": "0.25",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.06e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-pentenoic acid",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "CCC=CC(=O)O",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)",
      "cmpd_inchikey": "YIYBQIKDCADOSF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.1e-18",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl acrylate",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCOC(=O)C=C",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3",
      "cmpd_inchikey": "JIGUQPWFLRLWPJ-UHFFFAOYSA-N",
      "OH_k298": "1.59e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.5e-12",
      "OH_B": "-552",
      "OH_n": "",
      "OH_t_low": "255",
      "OH_t_high": "374",
      "O3_k298": "1.3e-18",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.6e-16",
      "NO3_uncert": "0.38",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.18e-10",
      "Cl_uncert": "0.34",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-4-methoxybut-3-en-2-one",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "CO/C=C/C(=O)C",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3/b4-3+",
      "cmpd_inchikey": "VLLHEPHWWIDUSS-ONEGZZNKSA-N",
      "OH_k298": "1.28e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl crotonate",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "C/C=C/C(=O)OC",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+",
      "cmpd_inchikey": "MCVVUJPXSBQTRZ-ONEGZZNKSA-N",
      "OH_k298": "3.92e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3.27e-12",
      "OH_B": "-740",
      "OH_n": "",
      "OH_t_low": "288",
      "OH_t_high": "314",
      "O3_k298": "5.18e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.85e-15",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl methacrylate",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "COC(=O)C(=C)C",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3",
      "cmpd_inchikey": "VVQNEPGJFQJSBK-UHFFFAOYSA-N",
      "OH_k298": "4.07e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.68e-12",
      "OH_B": "-811",
      "OH_n": "",
      "OH_t_low": "255",
      "OH_t_high": "351",
      "O3_k298": "6.55e-18",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.29e-15",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.54e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methoxy-3-buten-2-one",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "COC=CC(=O)C",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3",
      "cmpd_inchikey": "VLLHEPHWWIDUSS-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.3e-17",
      "O3_uncert": "0.31",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N,N-dimethylpropanamide",
      "cmpd_mwt": "101.15",
      "cmpd_formula": "C5H11NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCC(=O)N(C)C",
      "cmpd_inchi": "InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3",
      "cmpd_inchikey": "MBHINSULENHCMF-UHFFFAOYSA-N",
      "OH_k298": "2.09e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "3.54e-12",
      "OH_B": "-530",
      "OH_n": "",
      "OH_t_low": "300",
      "OH_t_high": "384",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.4e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "1.2e-10",
      "NO3_B": "2691",
      "NO3_n": "",
      "NO3_t_low": "273",
      "NO3_t_high": "353",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3-dioxepane",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "C1CCCOCO1",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2",
      "cmpd_inchikey": "CZLMRJZAHXYRIX-UHFFFAOYSA-N",
      "OH_k298": "1.4e-11",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "6e-12",
      "OH_B": "-250",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-hydroxy-3-methyl-2-butanone",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CC(=O)C(O)(C)C",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3",
      "cmpd_inchikey": "BNDRWEVUODOUDW-UHFFFAOYSA-N",
      "OH_k298": "8.5e-13",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.13e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-hydroxy-2-pentanone",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "OCCCC(=O)C",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3",
      "cmpd_inchikey": "JSHPTIGHEWEXRW-UHFFFAOYSA-N",
      "OH_k298": "1.55e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tert-butyl formate",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "O=COC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3",
      "cmpd_inchikey": "RUPAXCPQAAOIPB-UHFFFAOYSA-N",
      "OH_k298": "7.82e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "4.87e-13",
      "OH_B": "-145",
      "OH_n": "2",
      "OH_t_low": "253",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.45e-11",
      "Cl_uncert": "0.35",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropyl acetate",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CC(OC(=O)C)C",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3",
      "cmpd_inchikey": "JMMWKPVZQRWMSS-UHFFFAOYSA-N",
      "OH_k298": "3.79e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.1e-14",
      "OH_B": "-1353",
      "OH_n": "2",
      "OH_t_low": "253",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.29e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-hydroxy-3-methyl-2-butanone",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CC(C(=O)C)CO",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3",
      "cmpd_inchikey": "VVSRECWZBBJOTG-UHFFFAOYSA-N",
      "OH_k298": "1.46e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.6e-15",
      "NO3_uncert": "0.35",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methyl-1,3-dioxane",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC1CCOCO1",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3",
      "cmpd_inchikey": "INCCMBMMWVKEGJ-UHFFFAOYSA-N",
      "OH_k298": "1.13e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl butanoate",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCC(=O)OC",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "UUIQMZJEGPQKFD-UHFFFAOYSA-N",
      "OH_k298": "3.36e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.22e-13",
      "OH_B": "-993",
      "OH_n": "2",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.3e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "butyl formate",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCCOC=O",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3",
      "cmpd_inchikey": "NMJJFJNHVMGPGM-UHFFFAOYSA-N",
      "OH_k298": "3.68e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.46e-13",
      "OH_B": "-633",
      "OH_n": "2",
      "OH_t_low": "253",
      "OH_t_high": "371",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.16e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propyl acetate",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCOC(=O)C",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3",
      "cmpd_inchikey": "YKYONYBAUNKHLG-UHFFFAOYSA-N",
      "OH_k298": "3.45e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.31e-13",
      "OH_B": "-978",
      "OH_n": "2",
      "OH_t_low": "240",
      "OH_t_high": "440",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5e-17",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.53e-11",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl propanoate",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCOC(=O)CC",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "FKRCODPIKNYEAC-UHFFFAOYSA-N",
      "OH_k298": "2.1e-12",
      "OH_uncert": "0.29",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.54e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "9.73e-12",
      "Cl_B": "-385",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "313"
    },
    {
      "cmpd_name": "methyl 2-methylpropanoate",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "COC(=O)C(C)C",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3",
      "cmpd_inchikey": "BHIWKHZACMWKOJ-UHFFFAOYSA-N",
      "OH_k298": "1.7e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.96e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-isopropoxyethanol",
      "cmpd_mwt": "104.15",
      "cmpd_formula": "C5H12O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "OCCOC(C)C",
      "cmpd_inchi": "InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "HCGFUIQPSOCUHI-UHFFFAOYSA-N",
      "OH_k298": "2.1e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-propoxyethanol",
      "cmpd_mwt": "104.15",
      "cmpd_formula": "C5H12O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "CCCOCCO",
      "cmpd_inchi": "InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3",
      "cmpd_inchikey": "YEYKMVJDLWJFOA-UHFFFAOYSA-N",
      "OH_k298": "1.73e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-ethoxy-1-propanol",
      "cmpd_mwt": "104.15",
      "cmpd_formula": "C5H12O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "OCCCOCC",
      "cmpd_inchi": "InChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3",
      "cmpd_inchikey": "XHMWPVBQGARKQM-UHFFFAOYSA-N",
      "OH_k298": "2.84e-11",
      "OH_uncert": "0.32",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.08e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.4",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.48e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "1.3",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-ethoxy-2-methoxyethane",
      "cmpd_mwt": "104.15",
      "cmpd_formula": "C5H12O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "COCCOCC",
      "cmpd_inchi": "InChI=1S/C5H12O2/c1-3-7-5-4-6-2/h3-5H2,1-2H3",
      "cmpd_inchikey": "CAQYAZNFWDDMIT-UHFFFAOYSA-N",
      "OH_k298": "1.75e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diethoxymethane",
      "cmpd_mwt": "104.15",
      "cmpd_formula": "C5H12O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCOCOCC",
      "cmpd_inchi": "InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3",
      "cmpd_inchikey": "KLKFAASOGCDTDT-UHFFFAOYSA-N",
      "OH_k298": "1.97e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "3.42e-13",
      "OH_B": "-1212",
      "OH_n": "2",
      "OH_t_low": "252",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethoxypropane",
      "cmpd_mwt": "104.15",
      "cmpd_formula": "C5H12O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "COC(OC)(C)C",
      "cmpd_inchi": "InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3",
      "cmpd_inchikey": "HEWZVZIVELJPQZ-UHFFFAOYSA-N",
      "OH_k298": "4.1e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3.73e-12",
      "OH_B": "-30",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "440",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methoxy-1-butanol",
      "cmpd_mwt": "104.15",
      "cmpd_formula": "C5H12O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "CC(OC)CCO",
      "cmpd_inchi": "InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "JSGVZVOGOQILFM-UHFFFAOYSA-N",
      "OH_k298": "2.36e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.9e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dimethoxypropane",
      "cmpd_mwt": "104.15",
      "cmpd_formula": "C5H12O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "COCC(OC)C",
      "cmpd_inchi": "InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3",
      "cmpd_inchikey": "LEEANUDEDHYDTG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3-dimethoxypropane",
      "cmpd_mwt": "104.15",
      "cmpd_formula": "C5H12O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "COCCCOC",
      "cmpd_inchi": "InChI=1S/C5H12O2/c1-6-4-3-5-7-2/h3-5H2,1-2H3",
      "cmpd_inchikey": "UUAMLBIYJDPGFU-UHFFFAOYSA-N",
      "OH_k298": "4.93e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chloro-3-methyl-2-butene",
      "cmpd_mwt": "104.58",
      "cmpd_formula": "C5H9Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClCC=C(C)C",
      "cmpd_inchi": "InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3",
      "cmpd_inchikey": "JKXQKGNGJVZKFA-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.4e-17",
      "O3_uncert": "0.41",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chloropentane",
      "cmpd_mwt": "106.59",
      "cmpd_formula": "C5H11Cl",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCCCCCl",
      "cmpd_inchi": "InChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3",
      "cmpd_inchikey": "SQCZQTSHSZLZIQ-UHFFFAOYSA-N",
      "OH_k298": "3.57e-12",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "1.4e-11",
      "OH_B": "407",
      "OH_n": "",
      "OH_t_low": "295",
      "OH_t_high": "353",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.59e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-methylsuccinimide",
      "cmpd_mwt": "113.11",
      "cmpd_formula": "C5H7NO2",
      "cmpd_type": "amine",
      "cmpd_smiles": "CN1C(=O)CCC1=O",
      "cmpd_inchi": "InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3",
      "cmpd_inchikey": "KYEACNNYFNZCST-UHFFFAOYSA-N",
      "OH_k298": "1.3e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-formyl pyrrolidinone",
      "cmpd_mwt": "113.11",
      "cmpd_formula": "C5H7NO2",
      "cmpd_type": "amine",
      "cmpd_smiles": "O=CN1CCCC1=O",
      "cmpd_inchi": "InChI=1S/C5H7NO2/c7-4-6-3-1-2-5(6)8/h4H,1-3H2",
      "cmpd_inchikey": "XALHICXNSREUAV-UHFFFAOYSA-N",
      "OH_k298": "6e-12",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nitropentane",
      "cmpd_mwt": "117.15",
      "cmpd_formula": "C5H11NO2",
      "cmpd_type": "nitro organic",
      "cmpd_smiles": "CCCCC[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3",
      "cmpd_inchikey": "BVALZCVRLDMXOQ-UHFFFAOYSA-N",
      "OH_k298": "1e-12",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "1.08e-11",
      "OH_B": "703",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.27e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-pentyl nitrite",
      "cmpd_mwt": "117.15",
      "cmpd_formula": "C5H11NO2",
      "cmpd_type": "nitrite",
      "cmpd_smiles": "CCCCCON=O",
      "cmpd_inchi": "InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3",
      "cmpd_inchikey": "CSDTZUBPSYWZDX-UHFFFAOYSA-N",
      "OH_k298": "3.8e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-2-methyl-2,3-epoxy-1,4-butanediol",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "OC[C@H]1O[C@@]1(C)CO",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-5(3-7)4(2-6)8-5/h4,6-7H,2-3H2,1H3/t4-,5+/m1/s1",
      "cmpd_inchikey": "FLVAIUDBQNOKHB-UHNVWZDZSA-N",
      "OH_k298": "1.52e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-methyl-2,3-epoxy-1,4-butanediol",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "OC[C@@H]1O[C@@]1(C)CO",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-5(3-7)4(2-6)8-5/h4,6-7H,2-3H2,1H3/t4-,5-/m0/s1",
      "cmpd_inchikey": "FLVAIUDBQNOKHB-WHFBIAKZSA-N",
      "OH_k298": "1.08e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-hydroperoxy-3-methyl-3-buten-1-ol",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "OCC(C(=C)C)OO",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-4(2)5(3-6)8-7/h5-7H,1,3H2,2H3",
      "cmpd_inchikey": "HYHMYONEYJINON-UHFFFAOYSA-N",
      "OH_k298": "1.3e-10",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-hydroperoxy-2-methyl-3-buten-1-ol",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "OCC(C=C)(OO)C",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-3-5(2,4-6)8-7/h3,6-7H,1,4H2,2H3",
      "cmpd_inchikey": "QTGGFXPTAQEODO-UHFFFAOYSA-N",
      "OH_k298": "8.3e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-(2-oxiranyl)propane-1,2-diol",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "CC(C1CO1)(CO)O",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-5(7,3-6)4-2-8-4/h4,6-7H,2-3H2,1H3",
      "cmpd_inchikey": "CIDUHKBATDRWPE-UHFFFAOYSA-N",
      "OH_k298": "9.2e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl lactate",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "alcohol or glycolester",
      "cmpd_smiles": "CCOC(=O)C(O)C",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3",
      "cmpd_inchikey": "LZCLXQDLBQLTDK-UHFFFAOYSA-N",
      "OH_k298": "3.51e-12",
      "OH_uncert": "0.28",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethoxyethyl formate",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "alcohol or glycol ether ester",
      "cmpd_smiles": "CCOCCOC=O",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-2-7-3-4-8-5-6/h5H,2-4H2,1H3",
      "cmpd_inchikey": "UVHLIWWHXLBKPQ-UHFFFAOYSA-N",
      "OH_k298": "1.13e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "2.9e-12",
      "OH_B": "-405",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "368",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethoxymethyl acetate",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "alcohol or glycol ether ester",
      "cmpd_smiles": "CCOCOC(=O)C",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-3-7-4-8-5(2)6/h3-4H2,1-2H3",
      "cmpd_inchikey": "NDMXSCGMYOVVJE-UHFFFAOYSA-N",
      "OH_k298": "6.8e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.9e-12",
      "OH_B": "-380",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methoxyethyl acetate",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "alcohol or glycol ether ester",
      "cmpd_smiles": "COCCOC(=O)C",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "XLLIQLLCWZCATF-UHFFFAOYSA-N",
      "OH_k298": "8.2e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "2.9e-12",
      "OH_B": "-309",
      "OH_n": "",
      "OH_t_low": "273",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dimethylpropyl nitrate",
      "cmpd_mwt": "133.15",
      "cmpd_formula": "C5H11NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CC(CO[N+](=O)[O-])(C)C",
      "cmpd_inchi": "InChI=1S/C5H11NO3/c1-5(2,3)4-9-6(7)8/h4H2,1-3H3",
      "cmpd_inchikey": "YJGBGWFCCCQXIM-UHFFFAOYSA-N",
      "OH_k298": "7.8e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-2-butyl nitrate",
      "cmpd_mwt": "133.15",
      "cmpd_formula": "C5H11NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CC(C(C)C)O[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C5H11NO3/c1-4(2)5(3)9-6(7)8/h4-5H,1-3H3",
      "cmpd_inchikey": "OTVLXFGCWJFXJU-UHFFFAOYSA-N",
      "OH_k298": "1.7e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-1-butyl nitrate",
      "cmpd_mwt": "133.15",
      "cmpd_formula": "C5H11NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CC(CCO[N+](=O)[O-])C",
      "cmpd_inchi": "InChI=1S/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3",
      "cmpd_inchikey": "NTHGIYFSMNNHSC-UHFFFAOYSA-N",
      "OH_k298": "2.73e-12",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-butyl nitrate",
      "cmpd_mwt": "133.15",
      "cmpd_formula": "C5H11NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCC(CC)C",
      "cmpd_inchi": "InChI=1S/C5H11NO3/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3",
      "cmpd_inchikey": "QSSWLPYLLKHHLB-UHFFFAOYSA-N",
      "OH_k298": "2.23e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-pentyl nitrate",
      "cmpd_mwt": "133.15",
      "cmpd_formula": "C5H11NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CCC(O[N+](=O)[O-])CC",
      "cmpd_inchi": "InChI=1S/C5H11NO3/c1-3-5(4-2)9-6(7)8/h5H,3-4H2,1-2H3",
      "cmpd_inchikey": "WQZKKVJFBZPJSU-UHFFFAOYSA-N",
      "OH_k298": "1.04e-12",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-pentyl nitrate",
      "cmpd_mwt": "133.15",
      "cmpd_formula": "C5H11NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC(CCC)C",
      "cmpd_inchi": "InChI=1S/C5H11NO3/c1-3-4-5(2)9-6(7)8/h5H,3-4H2,1-2H3",
      "cmpd_inchikey": "RWRBSYOTDDOXKC-UHFFFAOYSA-N",
      "OH_k298": "1.7e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.01e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-pentyl nitrate",
      "cmpd_mwt": "133.15",
      "cmpd_formula": "C5H11NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CCCCCO[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3",
      "cmpd_inchikey": "HSNWZBCBUUSSQD-UHFFFAOYSA-N",
      "OH_k298": "3.5e-12",
      "OH_uncert": "0.28",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.45e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-methyl-4-nitrooxy-2-buten-1-al",
      "cmpd_mwt": "145.11",
      "cmpd_formula": "C5H7NO4",
      "cmpd_type": "unsaturated or aromatic mixed oxygenate or nitrate",
      "cmpd_smiles": "O=C/C(=C/CO[N+](=O)[O-])/C",
      "cmpd_inchi": "InChI=1S/C5H7NO4/c1-5(4-7)2-3-10-6(8)9/h2,4H,3H2,1H3/b5-2+",
      "cmpd_inchikey": "FYAVUEJWWBFNPQ-GORDUTHDSA-N",
      "OH_k298": "4.1e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.4e-18",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-methyl-4-nitrooxy-but-2-en-1-ol",
      "cmpd_mwt": "147.13",
      "cmpd_formula": "C5H9NO4",
      "cmpd_type": "unsaturated hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC/C=C(/CO)\\C",
      "cmpd_inchi": "InChI=1S/C5H9NO4/c1-5(4-7)2-3-10-6(8)9/h2,7H,3-4H2,1H3/b5-2+",
      "cmpd_inchikey": "ISDFXKLTMWDHJL-GORDUTHDSA-N",
      "OH_k298": "1e-10",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.7e-17",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-2-methyl-4-nitrooxy-2-buten-1-ol",
      "cmpd_mwt": "147.13",
      "cmpd_formula": "C5H9NO4",
      "cmpd_type": "unsaturated hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC/C=C(\\CO)/C",
      "cmpd_inchi": "InChI=1S/C5H9NO4/c1-5(4-7)2-3-10-6(8)9/h2,7H,3-4H2,1H3/b5-2-",
      "cmpd_inchikey": "ISDFXKLTMWDHJL-DJWKRKHSSA-N",
      "OH_k298": "1.1e-10",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.9e-17",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-2-nitrooxybut-3-ene-1-ol",
      "cmpd_mwt": "147.13",
      "cmpd_formula": "C5H9NO4",
      "cmpd_type": "unsaturated hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC(C(=C)C)CO",
      "cmpd_inchi": "InChI=1S/C5H9NO4/c1-4(2)5(3-7)10-6(8)9/h5,7H,1,3H2,2H3",
      "cmpd_inchikey": "PYTOMGVARIWPAT-UHFFFAOYSA-N",
      "OH_k298": "3.9e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.8e-19",
      "O3_uncert": "",
      "O3_u_fac": "3",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-1-nitrooxy-but-3-en-2-ol",
      "cmpd_mwt": "147.13",
      "cmpd_formula": "C5H9NO4",
      "cmpd_type": "unsaturated hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCC(C(=C)C)O",
      "cmpd_inchi": "InChI=1S/C5H9NO4/c1-4(2)5(7)3-10-6(8)9/h5,7H,1,3H2,2H3",
      "cmpd_inchikey": "BQDGSYQXOBSWAT-UHFFFAOYSA-N",
      "OH_k298": "6.6e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-3-nitrooxy-2-butanone",
      "cmpd_mwt": "147.13",
      "cmpd_formula": "C5H9NO4",
      "cmpd_type": "oxygenate nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC(C(=O)C)(C)C",
      "cmpd_inchi": "InChI=1S/C5H9NO4/c1-4(7)5(2,3)10-6(8)9/h1-3H3",
      "cmpd_inchikey": "DIMIHFOKCQZMGY-UHFFFAOYSA-N",
      "OH_k298": "2.6e-13",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-nitrooxy-but-3-en-2-ol",
      "cmpd_mwt": "147.13",
      "cmpd_formula": "C5H9NO4",
      "cmpd_type": "unsaturated hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCC(C=C)(O)C",
      "cmpd_inchi": "InChI=1S/C5H9NO4/c1-3-5(2,7)4-10-6(8)9/h3,7H,1,4H2,2H3",
      "cmpd_inchikey": "WFLSUUXCLKQDJW-UHFFFAOYSA-N",
      "OH_k298": "3.4e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.06e-16",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-nitrooxy-cyclopentanol",
      "cmpd_mwt": "147.13",
      "cmpd_formula": "C5H9NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC1CCCC1O",
      "cmpd_inchi": "InChI=1S/C5H9NO4/c7-4-2-1-3-5(4)10-6(8)9/h4-5,7H,1-3H2",
      "cmpd_inchikey": "BRXMXDQFZOIVTA-UHFFFAOYSA-N",
      "OH_k298": "3.53e-12",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-nitrooxy-1-pentanol",
      "cmpd_mwt": "149.15",
      "cmpd_formula": "C5H11NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC(CCCO)C",
      "cmpd_inchi": "InChI=1S/C5H11NO4/c1-5(3-2-4-7)10-6(8)9/h5,7H,2-4H2,1H3",
      "cmpd_inchikey": "SVIFKHUNGQLAEN-UHFFFAOYSA-N",
      "OH_k298": "2.86e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.56e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-nitrooxy-2-pentanol",
      "cmpd_mwt": "149.15",
      "cmpd_formula": "C5H11NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "CC(CCCO[N+](=O)[O-])O",
      "cmpd_inchi": "InChI=1S/C5H11NO4/c1-5(7)3-2-4-10-6(8)9/h5,7H,2-4H2,1H3",
      "cmpd_inchikey": "RIQPKERROQFFJK-UHFFFAOYSA-N",
      "OH_k298": "3.21e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.05e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nitrooxy-2-pentanol",
      "cmpd_mwt": "149.15",
      "cmpd_formula": "C5H11NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "[O-][N+](=O)OCC(CCC)O",
      "cmpd_inchi": "InChI=1S/C5H11NO4/c1-2-3-5(7)4-10-6(8)9/h5,7H,2-4H2,1H3",
      "cmpd_inchikey": "ZAYLQHAUCSLXCO-UHFFFAOYSA-N",
      "OH_k298": "9.8e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.25e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-bromopentane",
      "cmpd_mwt": "151.04",
      "cmpd_formula": "C5H11Br",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCCCCBr",
      "cmpd_inchi": "InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3",
      "cmpd_inchikey": "YZWKKMVJZFACSU-UHFFFAOYSA-N",
      "OH_k298": "3.7e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.14e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-ethoxy-1,1,2,3,3,3-hexafluoropropane",
      "cmpd_mwt": "196.09",
      "cmpd_formula": "C5H6OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCOC(C(C(F)(F)F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H6F6O/c1-2-12-5(10,11)3(6)4(7,8)9/h3H,2H2,1H3",
      "cmpd_inchikey": "DMECHFLLAQSVAD-UHFFFAOYSA-N",
      "OH_k298": "1.4e-13",
      "OH_uncert": "0.45",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.2e-12",
      "Cl_uncert": "0.41",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,3,3,5,5,5-octafluoropentane",
      "cmpd_mwt": "216.07",
      "cmpd_formula": "C5H4F8",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(CC(F)(F)F)(CC(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C5H4F8/c6-3(7,1-4(8,9)10)2-5(11,12)13/h1-2H2",
      "cmpd_inchikey": "AVWKTCVKCLVBFI-UHFFFAOYSA-N",
      "OH_k298": "2.6e-15",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.12e-12",
      "OH_B": "1804",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "360",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4,4,5,5,5-pentafluoropentane-1,1,2,3-tetrol",
      "cmpd_mwt": "226.1",
      "cmpd_formula": "C5H7O4F5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(C(C(F)(F)F)(F)F)C(C(O)O)O",
      "cmpd_inchi": "InChI=1S/C5H7F5O4/c6-4(7,5(8,9)10)2(12)1(11)3(13)14/h1-3,11-14H",
      "cmpd_inchikey": "JZTKHAPOOOTONW-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,4,4,5,5,5-nonafluoropentanal",
      "cmpd_mwt": "248.05",
      "cmpd_formula": "C5HOF9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5HF9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1H",
      "cmpd_inchikey": "ILSWGKFIWBVLDG-UHFFFAOYSA-N",
      "OH_k298": "5.8e-13",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "2.05e-12",
      "OH_B": "378",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-12",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane",
      "cmpd_mwt": "250.06",
      "cmpd_formula": "C5H3OF9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(C(F)(F)F)(C(F)(F)F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H3F9O/c1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h1H3",
      "cmpd_inchikey": "DJXNLVJQMJNEMN-UHFFFAOYSA-N",
      "OH_k298": "1.2e-14",
      "OH_uncert": "0.33",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane",
      "cmpd_mwt": "250.06",
      "cmpd_formula": "C5H3OF9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3",
      "cmpd_inchikey": "OKIYQFLILPKULA-UHFFFAOYSA-N",
      "OH_k298": "1.2e-14",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.3e-12",
      "OH_B": "1400",
      "OH_n": "",
      "OH_t_low": "288",
      "OH_t_high": "368",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)propane",
      "cmpd_mwt": "250.06",
      "cmpd_formula": "C5H3OF9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C(OCC(F)(F)F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H3F9O/c6-2(4(10,11)12)5(13,14)15-1-3(7,8)9/h2H,1H2",
      "cmpd_inchikey": "LMRGTZDDPWGCGL-UHFFFAOYSA-N",
      "OH_k298": "8.7e-15",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.2e-12",
      "OH_B": "1469",
      "OH_n": "",
      "OH_t_low": "268",
      "OH_t_high": "407",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,4,4,5,5,5-nonafluoro-1-pentanol",
      "cmpd_mwt": "250.06",
      "cmpd_formula": "C5H3OF9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H3F9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h15H,1H2",
      "cmpd_inchikey": "PJRIQFXPYMVWOU-UHFFFAOYSA-N",
      "OH_k298": "9.4e-14",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.3e-13",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,3,4,5,5,5-decafluoropentane",
      "cmpd_mwt": "252.05",
      "cmpd_formula": "C5H2F10",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(F)(F)F)C(C(C(F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C5H2F10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H",
      "cmpd_inchikey": "RIQRGMUSBYGDBL-UHFFFAOYSA-N",
      "OH_k298": "3.3e-15",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "5.68e-13",
      "OH_B": "1534",
      "OH_n": "",
      "OH_t_low": "249",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid",
      "cmpd_mwt": "264.05",
      "cmpd_formula": "C5HO2F9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)",
      "cmpd_inchikey": "CXZGQIAOTKWCDB-UHFFFAOYSA-N",
      "OH_k298": "1.5e-13",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane",
      "cmpd_mwt": "286.04",
      "cmpd_formula": "C5HOF11",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C(F)(F)F)OC(C(C(F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H",
      "cmpd_inchikey": "CUTPKDUMZWIJKT-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-(difluoromethoxy)-2-[difluoromethoxy(difluoro)methoxy]-1,1,2,2-tetrafluoroethane",
      "cmpd_mwt": "300.05",
      "cmpd_formula": "C5H2O3F10",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(OC(C(OC(F)F)(F)F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C5H2F10O3/c6-1(7)16-3(10,11)4(12,13)18-5(14,15)17-2(8)9/h1-2H",
      "cmpd_inchikey": "ICIZOWVAGSOWBZ-UHFFFAOYSA-N",
      "OH_k298": "4.6e-15",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.21e-17",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "benzene",
      "cmpd_mwt": "78.11",
      "cmpd_formula": "C6H6",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "c1ccccc1",
      "cmpd_inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H",
      "cmpd_inchikey": "UHOVQNZJYSORNB-UHFFFAOYSA-N",
      "OH_k298": "1.2e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "2.3e-12",
      "OH_B": "190",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "350",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1,3,5-hexatriene",
      "cmpd_mwt": "80.13",
      "cmpd_formula": "C6H8",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=C/C=C\\C=C",
      "cmpd_inchi": "InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5-",
      "cmpd_inchikey": "AFVDZBIIBXWASR-WAYWQWQTSA-N",
      "OH_k298": "1.1e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1,3,5-hexatriene",
      "cmpd_mwt": "80.13",
      "cmpd_formula": "C6H8",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=C/C=C/C=C",
      "cmpd_inchi": "InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5+",
      "cmpd_inchikey": "AFVDZBIIBXWASR-AATRIKPKSA-N",
      "OH_k298": "1.11e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z/E)-1,3,5-hexatriene",
      "cmpd_mwt": "80.13",
      "cmpd_formula": "C6H8",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=CC=CC=C",
      "cmpd_inchi": "InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2",
      "cmpd_inchikey": "AFVDZBIIBXWASR-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.62e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-cyclohexadiene",
      "cmpd_mwt": "80.13",
      "cmpd_formula": "C6H8",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "C1=CCC=CC1",
      "cmpd_inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2",
      "cmpd_inchikey": "UVJHQYIOXKWHFD-UHFFFAOYSA-N",
      "OH_k298": "9.84e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.77e-11",
      "OH_B": "-378",
      "OH_n": "0",
      "OH_t_low": "295",
      "OH_t_high": "438",
      "O3_k298": "4.6e-17",
      "O3_uncert": "0.35",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.6e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.06e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3-cyclohexadiene",
      "cmpd_mwt": "80.13",
      "cmpd_formula": "C6H8",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "C1CC=CC=C1",
      "cmpd_inchi": "InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2",
      "cmpd_inchikey": "MGNZXYYWBUKAII-UHFFFAOYSA-N",
      "OH_k298": "1.64e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.2e-15",
      "O3_uncert": "0.35",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.15e-11",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1,4-hexadiene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=CC/C=C/C",
      "cmpd_inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+",
      "cmpd_inchikey": "PRBHEGAFLDMLAL-GQCTYLIASA-N",
      "OH_k298": "9.1e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(2Z,4E)-hexa-2,4-diene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "C/C=C\\C=C\\C",
      "cmpd_inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3-,6-4+",
      "cmpd_inchikey": "APPOKADJQUIAHP-CIIODKQPSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.14e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(2E,4E)-2,4-hexadiene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "C/C=C/C=C/C",
      "cmpd_inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+",
      "cmpd_inchikey": "APPOKADJQUIAHP-GGWOSOGESA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.74e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.6e-11",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylenecyclopentane",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C=C1CCCC1",
      "cmpd_inchi": "InChI=1S/C6H10/c1-6-4-2-3-5-6/h1-5H2",
      "cmpd_inchikey": "NFJPEKRRHIYYES-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "9e-17",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.5e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,5-hexadiene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=CCCC=C",
      "cmpd_inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2",
      "cmpd_inchikey": "PYGSKMBEVAICCR-UHFFFAOYSA-N",
      "OH_k298": "6.2e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.45e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclohexene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C1CCC=CC1",
      "cmpd_inchi": "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2",
      "cmpd_inchikey": "HGCIXCUEYOPUTN-UHFFFAOYSA-N",
      "OH_k298": "6.77e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "8.1e-17",
      "O3_uncert": "0.25",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.6e-13",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "5.83e-12",
      "NO3_B": "698",
      "NO3_n": "",
      "NO3_t_low": "298",
      "NO3_t_high": "433",
      "Cl_k298": "3.78e-10",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "6.69e-11",
      "Cl_B": "-516",
      "Cl_n": "",
      "Cl_t_low": "280",
      "Cl_t_high": "360"
    },
    {
      "cmpd_name": "2,3-dimethyl-1,3-butadiene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "CC(=C)C(=C)C",
      "cmpd_inchi": "InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3",
      "cmpd_inchikey": "SDJHPPZKZZWAKF-UHFFFAOYSA-N",
      "OH_k298": "1.22e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.56e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "6.9e-15",
      "O3_B": "1668",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "324",
      "NO3_k298": "1.9e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.2e-10",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "4.52e-11",
      "Cl_B": "-664",
      "Cl_n": "",
      "Cl_t_low": "270",
      "Cl_t_high": "330"
    },
    {
      "cmpd_name": "2-methyl-1,4-pentadiene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=CCC(=C)C",
      "cmpd_inchi": "InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3",
      "cmpd_inchikey": "DRWYRROCDFQZQF-UHFFFAOYSA-N",
      "OH_k298": "7.9e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.32e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methyl-1,3-pentadiene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "C=CC=C(C)C",
      "cmpd_inchi": "InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3",
      "cmpd_inchikey": "CJSBUWDGPXGFGA-UHFFFAOYSA-N",
      "OH_k298": "1.3100000000000001e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(3E)-hexa-1,3-diene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "CC/C=C/C=C",
      "cmpd_inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3/b6-5+",
      "cmpd_inchikey": "AHAREKHAZNPPMI-AATRIKPKSA-N",
      "OH_k298": "1.12e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1,3-pentadiene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "CC=CC(=C)C",
      "cmpd_inchi": "InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3",
      "cmpd_inchikey": "RCJMVGJKROQDCB-UHFFFAOYSA-N",
      "OH_k298": "1.36e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "8e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z/E)-2,4-hexadiene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "CC=CC=CC",
      "cmpd_inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3",
      "cmpd_inchikey": "APPOKADJQUIAHP-UHFFFAOYSA-N",
      "OH_k298": "1.34e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methylcyclopentene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1=CCCC1",
      "cmpd_inchi": "InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3",
      "cmpd_inchikey": "ATQUFXWBVZUTKO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "6.7e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "1.8e-15",
      "O3_B": "297",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "331",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methylcyclopentene",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1CCC=C1",
      "cmpd_inchi": "InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3",
      "cmpd_inchikey": "CXOZQHPXKPDQGT-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.34e-16",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-hexyne",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "alkyne",
      "cmpd_smiles": "CCCC#CC",
      "cmpd_inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3",
      "cmpd_inchikey": "MELUCTCJOARQQG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.8e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-hexyne",
      "cmpd_mwt": "82.14",
      "cmpd_formula": "C6H10",
      "cmpd_type": "alkyne",
      "cmpd_smiles": "CCCCC#C",
      "cmpd_inchi": "InChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3",
      "cmpd_inchikey": "CGHIBGNXEGJPQZ-UHFFFAOYSA-N",
      "OH_k298": "1.08e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.46e-15",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "8.95e-12",
      "NO3_B": "2598",
      "NO3_n": "",
      "NO3_t_low": "295",
      "NO3_t_high": "473",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-4-methylpent-2-ene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "C/C=C/C(C)C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4+",
      "cmpd_inchikey": "LGAQJENWWYGFSN-SNAWJCMRSA-N",
      "OH_k298": "6.1e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclohexane",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CCCCC1",
      "cmpd_inchi": "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2",
      "cmpd_inchikey": "XDTMQSROBMDMFD-UHFFFAOYSA-N",
      "OH_k298": "6.69e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "3.35e-12",
      "OH_B": "-210",
      "OH_n": "1.86",
      "OH_t_low": "221",
      "OH_t_high": "1347",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.35e-16",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.3e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "3.3e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "248",
      "Cl_t_high": "364"
    },
    {
      "cmpd_name": "3,3-dimethyl-1-butene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "C=CC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3",
      "cmpd_inchikey": "PKXHXOTZMFCXSH-UHFFFAOYSA-N",
      "OH_k298": "2.9e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.8e-18",
      "O3_uncert": "0.21",
      "O3_u_fac": "",
      "O3_A": "2.68e-15",
      "O3_B": "1956",
      "O3_n": "",
      "O3_t_low": "218",
      "O3_t_high": "288",
      "NO3_k298": "1.5e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dimethyl-2-butene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CC(=C(C)C)C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3",
      "cmpd_inchikey": "WGLLSSPDPJPLOR-UHFFFAOYSA-N",
      "OH_k298": "1.1e-10",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.1e-15",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "3e-15",
      "O3_B": "300",
      "O3_n": "",
      "O3_t_low": "220",
      "O3_t_high": "370",
      "NO3_k298": "5.7e-11",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dimethyl-1-butene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CC(=C)C(C)C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3",
      "cmpd_inchikey": "OWWIWYDDISJUMY-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropylcyclopropane",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CC(C1CC1)C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "HPBROFGYTXOJIO-UHFFFAOYSA-N",
      "OH_k298": "2.61e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methyl-1-pentene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "C=CCC(C)C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3",
      "cmpd_inchikey": "WSSSPWUEQFSQQG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "8.51e-18",
      "O3_uncert": "0.17",
      "O3_u_fac": "",
      "O3_A": "4.72e-15",
      "O3_B": "1883",
      "O3_n": "",
      "O3_t_low": "218",
      "O3_t_high": "292",
      "NO3_k298": "1.3e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-3-methyl-2-pentene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CC/C(=C\\C)/C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4-",
      "cmpd_inchikey": "BEQGRRJLJLVQAQ-XQRVVYSFSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.5e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8.5e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-3-methyl-2-pentene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CC/C(=C/C)/C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+",
      "cmpd_inchikey": "BEQGRRJLJLVQAQ-GQCTYLIASA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.6e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8.1e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-3-hexene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CC/C=C\\CC",
      "cmpd_inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5-",
      "cmpd_inchikey": "ZQDPJFUHLCOCRG-WAYWQWQTSA-N",
      "OH_k298": "6.27e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.44e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.5e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.13e-10",
      "Cl_uncert": "0.12",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-3-hexene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CC/C=C/CC",
      "cmpd_inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+",
      "cmpd_inchikey": "ZQDPJFUHLCOCRG-AATRIKPKSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.57e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.7e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylcyclopentane",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CC1CCCC1",
      "cmpd_inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3",
      "cmpd_inchikey": "GDOPTJXRTPNYNR-UHFFFAOYSA-N",
      "OH_k298": "7.56e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.67e-12",
      "OH_B": "-454.3",
      "OH_n": "2.1",
      "OH_t_low": "230",
      "OH_t_high": "1344",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethyl-1-butene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCC(=C)CC",
      "cmpd_inchi": "InChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3",
      "cmpd_inchikey": "RYKZRKKEYSRDNF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.3e-17",
      "O3_uncert": "",
      "O3_u_fac": "1.5",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.5e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.89e-10",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-1-pentene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CC(C=C)CC",
      "cmpd_inchi": "InChI=1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3",
      "cmpd_inchikey": "LDTAOIUHUHHCMU-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.8e-18",
      "O3_uncert": "0.32",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.3e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.85e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-2-hexene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCC/C=C\\C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3-",
      "cmpd_inchikey": "RYPKRALMXUUNKS-HYXAFXHYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.05e-16",
      "O3_uncert": "0.19",
      "O3_u_fac": "",
      "O3_A": "3.2e-15",
      "O3_B": "1017",
      "O3_n": "",
      "O3_t_low": "278",
      "O3_t_high": "353",
      "NO3_k298": "5.5e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-hexene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCC/C=C/C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+",
      "cmpd_inchikey": "RYPKRALMXUUNKS-HWKANZROSA-N",
      "OH_k298": "6.08e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.53e-16",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "7.6e-15",
      "O3_B": "1163",
      "O3_n": "",
      "O3_t_low": "278",
      "O3_t_high": "353",
      "NO3_k298": "3.9e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-2-pentene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCC=C(C)C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3",
      "cmpd_inchikey": "JMMZCWZIJXAGKW-UHFFFAOYSA-N",
      "OH_k298": "8.9e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.54e-16",
      "O3_uncert": "0.21",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8.5e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-pentene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCC(=C)C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3",
      "cmpd_inchikey": "WWUVJRULCWHUSA-UHFFFAOYSA-N",
      "OH_k298": "6.14e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.6e-17",
      "O3_uncert": "0.31",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.4e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-hexene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCC=C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3",
      "cmpd_inchikey": "LIKMAJRDDDTEIG-UHFFFAOYSA-N",
      "OH_k298": "3.7e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.15e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "2.3e-15",
      "O3_B": "1580",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "353",
      "NO3_k298": "1.8e-14",
      "NO3_uncert": "0.33",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dimethylbutane",
      "cmpd_mwt": "86.18",
      "cmpd_formula": "C6H14",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CC(C(C)C)C",
      "cmpd_inchi": "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3",
      "cmpd_inchikey": "ZFFMLCVRJBZUDZ-UHFFFAOYSA-N",
      "OH_k298": "5.86e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "6.38e-13",
      "OH_B": "-666",
      "OH_n": "2.47",
      "OH_t_low": "250",
      "OH_t_high": "1292",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.24e-16",
      "NO3_uncert": "0.2",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.2e-10",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dimethylbutane",
      "cmpd_mwt": "86.18",
      "cmpd_formula": "C6H14",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3",
      "cmpd_inchikey": "HNRMPXKDFBEGFZ-UHFFFAOYSA-N",
      "OH_k298": "2.23e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3.37e-11",
      "OH_B": "809",
      "OH_n": "",
      "OH_t_low": "245",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methylpentane",
      "cmpd_mwt": "86.18",
      "cmpd_formula": "C6H14",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCC(CC)C",
      "cmpd_inchi": "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3",
      "cmpd_inchikey": "PFEOZHBOMNWTJB-UHFFFAOYSA-N",
      "OH_k298": "5.54e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.8e-11",
      "OH_B": "351",
      "OH_n": "",
      "OH_t_low": "284",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.05e-16",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.69e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylpentane",
      "cmpd_mwt": "86.18",
      "cmpd_formula": "C6H14",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCCC(C)C",
      "cmpd_inchi": "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3",
      "cmpd_inchikey": "AFABGHUZZDYHJO-UHFFFAOYSA-N",
      "OH_k298": "5.25e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.77e-11",
      "OH_B": "362",
      "OH_n": "",
      "OH_t_low": "283",
      "OH_t_high": "398",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.7e-16",
      "NO3_uncert": "0.24",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.8e-10",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-hexane",
      "cmpd_mwt": "86.18",
      "cmpd_formula": "C6H14",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCCCC",
      "cmpd_inchi": "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3",
      "cmpd_inchikey": "VLKZOEOYAKHREP-UHFFFAOYSA-N",
      "OH_k298": "4.97e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.52e-12",
      "OH_B": "-357",
      "OH_n": "2.12",
      "OH_t_low": "240",
      "OH_t_high": "1299",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.1e-16",
      "NO3_uncert": "0.36",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.3e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "benzene oxide",
      "cmpd_mwt": "94.11",
      "cmpd_formula": "C6H6O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "C1=CC2C(C=C1)O2",
      "cmpd_inchi": "InChI=1S/C6H6O/c1-2-4-6-5(3-1)7-6/h1-6H",
      "cmpd_inchikey": "WDFZWSZNOFELJY-UHFFFAOYSA-N",
      "OH_k298": "1e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "phenol",
      "cmpd_mwt": "94.11",
      "cmpd_formula": "C6H6O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Oc1ccccc1",
      "cmpd_inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H",
      "cmpd_inchikey": "ISWSIDIOOBJBQZ-UHFFFAOYSA-N",
      "OH_k298": "2.8e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "4.7e-13",
      "OH_B": "-1220",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "350",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.5e-12",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dimethylfuran",
      "cmpd_mwt": "96.13",
      "cmpd_formula": "C6H8O",
      "cmpd_type": "furan",
      "cmpd_smiles": "Cc1occc1C",
      "cmpd_inchi": "InChI=1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3",
      "cmpd_inchikey": "FJSKXQVRKZTKSI-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.8e-11",
      "NO3_uncert": "",
      "NO3_u_fac": "1.7",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4-dimethylfuran",
      "cmpd_mwt": "96.13",
      "cmpd_formula": "C6H8O",
      "cmpd_type": "furan",
      "cmpd_smiles": "Cc1occ(c1)C",
      "cmpd_inchi": "InChI=1S/C6H8O/c1-5-3-6(2)7-4-5/h3-4H,1-2H3",
      "cmpd_inchikey": "AABTWRKUKUPMJG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.8e-11",
      "NO3_uncert": "",
      "NO3_u_fac": "1.7",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,5-dimethylfuran",
      "cmpd_mwt": "96.13",
      "cmpd_formula": "C6H8O",
      "cmpd_type": "furan",
      "cmpd_smiles": "Cc1ccc(o1)C",
      "cmpd_inchi": "InChI=1S/C6H8O/c1-5-3-4-6(2)7-5/h3-4H,1-2H3",
      "cmpd_inchikey": "GSNUFIFRDBKVIE-UHFFFAOYSA-N",
      "OH_k298": "1.16e-10",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "1.12e-12",
      "OH_B": "-1383.2",
      "OH_n": "1.6124",
      "OH_t_low": "295",
      "OH_t_high": "635",
      "O3_k298": "4.2e-16",
      "O3_uncert": "0.21",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8e-11",
      "NO3_uncert": "0.39",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.4e-10",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethylfuran",
      "cmpd_mwt": "96.13",
      "cmpd_formula": "C6H8O",
      "cmpd_type": "furan",
      "cmpd_smiles": "CCc1ccco1",
      "cmpd_inchi": "InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3",
      "cmpd_inchikey": "HLPIHRDZBHXTFJ-UHFFFAOYSA-N",
      "OH_k298": "1.16e-10",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.4e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-cyclohexen-1-one",
      "cmpd_mwt": "96.13",
      "cmpd_formula": "C6H8O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "O=C1CCCC=C1",
      "cmpd_inchi": "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2",
      "cmpd_inchikey": "FWFSEYBSWVRWGL-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.2e-18",
      "O3_uncert": "0.42",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-3-methyl-3-penten-2-one",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "C/C=C(/C(=O)C)\\C",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3/b5-4+",
      "cmpd_inchikey": "ZAMCMCQRTZKGDX-SNAWJCMRSA-N",
      "OH_k298": "8e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-hexen-2-one",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "C=CCCC(=O)C",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3",
      "cmpd_inchikey": "RNDVGJZUHCKENF-UHFFFAOYSA-N",
      "OH_k298": "5.2e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "7.2e-17",
      "O3_uncert": "0.39",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.15e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.62e-10",
      "Cl_uncert": "0.29",
      "Cl_u_fac": "",
      "Cl_A": "4.14e-11",
      "Cl_B": "-646",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "4-methyl-3-penten-2-one",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC(=CC(=O)C)C",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3",
      "cmpd_inchikey": "SHOJXDKTYKFBRD-UHFFFAOYSA-N",
      "OH_k298": "8.35e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "8.1e-18",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.44e-13",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.56e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-3-penten-2-one",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC=C(C(=O)C)C",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3",
      "cmpd_inchikey": "ZAMCMCQRTZKGDX-UHFFFAOYSA-N",
      "OH_k298": "6.2e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "6.17e-17",
      "O3_uncert": "0.48",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.55e-13",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.6e-10",
      "Cl_uncert": "0.22",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-hexen-2-one",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC=CCC(=O)C",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3-4H,5H2,1-2H3",
      "cmpd_inchikey": "YRXUQYBLFBZHNE-UHFFFAOYSA-N",
      "OH_k298": "6e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-hexen-3-one",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC=CC(=O)CC",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3",
      "cmpd_inchikey": "FEWIGMWODIRUJM-UHFFFAOYSA-N",
      "OH_k298": "9e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "6.05e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-hexen-3-one",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CCC(=O)CC=C",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3H,1,4-5H2,2H3",
      "cmpd_inchikey": "RUJLJMUWUVTHEU-UHFFFAOYSA-N",
      "OH_k298": "5.18e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-hexenal",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "CCC/C=C/C=O",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+",
      "cmpd_inchikey": "MBDOYVRWFFCFHM-SNAWJCMRSA-N",
      "OH_k298": "4.3e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "7.5e-12",
      "OH_B": "-520",
      "OH_n": "",
      "OH_t_low": "244",
      "OH_t_high": "374",
      "O3_k298": "1.55e-18",
      "O3_uncert": "0.25",
      "O3_u_fac": "",
      "O3_A": "2.06e-16",
      "O3_B": "1457",
      "O3_n": "",
      "O3_t_low": "273",
      "O3_t_high": "353",
      "NO3_k298": "1.2e-14",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclohexanone",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "O=C1CCCCC1",
      "cmpd_inchi": "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2",
      "cmpd_inchikey": "JHIVVAPYMSGYDF-UHFFFAOYSA-N",
      "OH_k298": "6.4e-12",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.8e-10",
      "Cl_uncert": "0.22",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclopentanecarbaldehyde",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "O=CC1CCCC1",
      "cmpd_inchi": "InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h5-6H,1-4H2",
      "cmpd_inchikey": "VELDYOPRLMJFIK-UHFFFAOYSA-N",
      "OH_k298": "3.13e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.64e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-4-hexen-1-ol",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "C/C=C\\CCCO",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2-",
      "cmpd_inchikey": "VTIODUHBZHNXFP-IHWYPQMZSA-N",
      "OH_k298": "8.08e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.66e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.9e-13",
      "NO3_uncert": "0.41",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "oxepane",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "ether",
      "cmpd_smiles": "C1CCCCOC1",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2",
      "cmpd_inchikey": "UHHKSVZZTYJVEG-UHFFFAOYSA-N",
      "OH_k298": "1.8e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "9.8e-12",
      "OH_B": "-179",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3-dimethyl-2-butanone",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CC(=O)C(C)(C)C",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3",
      "cmpd_inchikey": "PJGSXYOJTGTZAV-UHFFFAOYSA-N",
      "OH_k298": "1.21e-12",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.8e-11",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3-dimethylbutanal",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "O=CCC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3",
      "cmpd_inchikey": "LTNUSYNQZJZUSY-UHFFFAOYSA-N",
      "OH_k298": "2.14e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.77e-14",
      "NO3_uncert": "0.2",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethenoxy-2-methylpropane",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "C=COC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-5-7-6(2,3)4/h5H,1H2,2-4H3",
      "cmpd_inchikey": "PGYJSURPYAAOMM-UHFFFAOYSA-N",
      "OH_k298": "1.15e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.82e-11",
      "OH_B": "-549",
      "OH_n": "",
      "OH_t_low": "233",
      "OH_t_high": "372",
      "O3_k298": "5.3e-16",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.81e-12",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methyl-2-pentanone",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CC(CC(=O)C)C",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3",
      "cmpd_inchikey": "NTIZESTWPVYFNL-UHFFFAOYSA-N",
      "OH_k298": "1.35e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.18e-12",
      "OH_B": "-724.7793998225",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.23e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methylpentanal",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "O=CCCC(C)C",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "JGEGJYXHCFUMJF-UHFFFAOYSA-N",
      "OH_k298": "2.63e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.74e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-ethenoxy-2-methylpropane",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "C=COCC(C)C",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3",
      "cmpd_inchikey": "OZCMOJQQLBXBKI-UHFFFAOYSA-N",
      "OH_k298": "1.09e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.62e-11",
      "OH_B": "-567",
      "OH_n": "",
      "OH_t_low": "233",
      "OH_t_high": "373",
      "O3_k298": "2.85e-16",
      "O3_uncert": "0.22",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.99e-12",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-3-hexen-1-ol",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "OCC/C=C\\CC",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-",
      "cmpd_inchikey": "UFLHIIWVXFIJGU-ARJAWSKDSA-N",
      "OH_k298": "1.08e-10",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.54e-11",
      "OH_B": "-580",
      "OH_n": "",
      "OH_t_low": "244",
      "OH_t_high": "374",
      "O3_k298": "5.66e-17",
      "O3_uncert": "0.19",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.7e-13",
      "NO3_uncert": "0.41",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.1e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-3-hexen-1-ol",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "OCC/C=C/CC",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+",
      "cmpd_inchikey": "UFLHIIWVXFIJGU-ONEGZZNKSA-N",
      "OH_k298": "9.73e-11",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.66e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.4e-13",
      "NO3_uncert": "0.41",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.3e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-1-penten-3-ol",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC(C=C)(CC)O",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3",
      "cmpd_inchikey": "HFYAEUXHCMTPOL-UHFFFAOYSA-N",
      "OH_k298": "6.2e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.2e-18",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-2-pentanone",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CCC(C(=O)C)C",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3",
      "cmpd_inchikey": "UIHCLUNTQKBZGK-UHFFFAOYSA-N",
      "OH_k298": "6.11e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.01e-12",
      "OH_B": "-537",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.4e-11",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methylpentanal",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CC(CC)CC=O",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "YJWJGLQYQJGEEP-UHFFFAOYSA-N",
      "OH_k298": "2.9099999999999998e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.5e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethylbutanal",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CCC(C=O)CC",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "UNNGUFMVYQJGTD-UHFFFAOYSA-N",
      "OH_k298": "4.02e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.63e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-hexen-1-ol",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CCC/C=C/CO",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+",
      "cmpd_inchikey": "ZCHHRLHTBGRGOT-SNAWJCMRSA-N",
      "OH_k298": "7.93e-11",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "7.82e-12",
      "OH_B": "-690",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "330",
      "O3_k298": "1.2e-16",
      "O3_uncert": "0.45",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.51e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-2-hexen-1-ol",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CCC/C=C\\CO",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4-",
      "cmpd_inchikey": "ZCHHRLHTBGRGOT-PLNGDYQASA-N",
      "OH_k298": "9.77e-11",
      "OH_uncert": "0.18",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "7.44e-17",
      "O3_uncert": "0.14",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.7e-13",
      "NO3_uncert": "0.41",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-hexanone",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CCCC(=O)CC",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3",
      "cmpd_inchikey": "PFCHFHIRKBAQGU-UHFFFAOYSA-N",
      "OH_k298": "6.4e-12",
      "OH_uncert": "0.41",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.47e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylpentanal",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CC(C=O)CCC",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "FTZILAQGHINQQR-UHFFFAOYSA-N",
      "OH_k298": "3.3e-11",
      "OH_uncert": "0.39",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.79e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-hexanone",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CCCCC(=O)C",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3",
      "cmpd_inchikey": "QQZOPKMRPOGIEB-UHFFFAOYSA-N",
      "OH_k298": "7.5e-12",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "8.4e-13",
      "OH_B": "-654",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "353",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hexanal",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CCCCCC=O",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3",
      "cmpd_inchikey": "JARKCYVAAOWBJS-UHFFFAOYSA-N",
      "OH_k298": "2.85e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "4.28e-12",
      "OH_B": "-565",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "353",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.61e-14",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.79e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "8.6e-11",
      "Cl_B": "-349",
      "Cl_n": "",
      "Cl_t_low": "265",
      "Cl_t_high": "381"
    },
    {
      "cmpd_name": "1-ethenoxybutane",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "CCCCOC=C",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3",
      "cmpd_inchikey": "UZKWTJUDCOPSNM-UHFFFAOYSA-N",
      "OH_k298": "1.09e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.6e-11",
      "OH_B": "-572",
      "OH_n": "",
      "OH_t_low": "232",
      "OH_t_high": "373",
      "O3_k298": "2.6e-16",
      "O3_uncert": "0.38",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2e-12",
      "NO3_uncert": "0.44",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclohexanol",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OC1CCCCC1",
      "cmpd_inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2",
      "cmpd_inchikey": "HPXRVTGHNJAIIH-UHFFFAOYSA-N",
      "OH_k298": "1.7e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.21e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dimethyl-2-butanol",
      "cmpd_mwt": "102.17",
      "cmpd_formula": "C6H14O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CC(C(O)(C)C)C",
      "cmpd_inchi": "InChI=1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3",
      "cmpd_inchikey": "IKECULIHBUCAKR-UHFFFAOYSA-N",
      "OH_k298": "9.3e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.45e-12",
      "OH_B": "-554",
      "OH_n": "",
      "OH_t_low": "268",
      "OH_t_high": "354",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "5.2e-11",
      "Cl_B": "-195",
      "Cl_n": "",
      "Cl_t_low": "267",
      "Cl_t_high": "384"
    },
    {
      "cmpd_name": "4-methyl-2-pentanol",
      "cmpd_mwt": "102.17",
      "cmpd_formula": "C6H14O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CC(CC(O)C)C",
      "cmpd_inchi": "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3",
      "cmpd_inchikey": "WVYWICLMDOOCFB-UHFFFAOYSA-N",
      "OH_k298": "1.7e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diisopropyl ether",
      "cmpd_mwt": "102.17",
      "cmpd_formula": "C6H14O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC(OC(C)C)C",
      "cmpd_inchi": "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3",
      "cmpd_inchikey": "ZAFNJMIOTHYJRJ-UHFFFAOYSA-N",
      "OH_k298": "1e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.97e-12",
      "OH_B": "-361",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.1e-15",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "1.97e-12",
      "NO3_B": "1772",
      "NO3_n": "",
      "NO3_t_low": "257",
      "NO3_t_high": "364",
      "Cl_k298": "1.66e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methoxy-2-methylbutane",
      "cmpd_mwt": "102.17",
      "cmpd_formula": "C6H14O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCC(OC)(C)C",
      "cmpd_inchi": "InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3",
      "cmpd_inchikey": "HVZJRWJGKQPSFL-UHFFFAOYSA-N",
      "OH_k298": "5.6e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "3.13e-12",
      "OH_B": "-172",
      "OH_n": "",
      "OH_t_low": "231",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.2e-15",
      "NO3_uncert": "0.41",
      "NO3_u_fac": "",
      "NO3_A": "1.06e-12",
      "NO3_B": "1843",
      "NO3_n": "",
      "NO3_t_low": "257",
      "NO3_t_high": "367",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-2-pentanol",
      "cmpd_mwt": "102.17",
      "cmpd_formula": "C6H14O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCC(O)(C)C",
      "cmpd_inchi": "InChI=1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3",
      "cmpd_inchikey": "WFRBDWRZVBPBDO-UHFFFAOYSA-N",
      "OH_k298": "7.1e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-hexanol",
      "cmpd_mwt": "102.17",
      "cmpd_formula": "C6H14O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCCC(O)C",
      "cmpd_inchi": "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3",
      "cmpd_inchikey": "QNVRIHYSUZMSGM-UHFFFAOYSA-N",
      "OH_k298": "1.2e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-hexanol",
      "cmpd_mwt": "102.17",
      "cmpd_formula": "C6H14O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCCCCO",
      "cmpd_inchi": "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",
      "cmpd_inchikey": "ZSIAUFGUXNUGDI-UHFFFAOYSA-N",
      "OH_k298": "1.3e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.1e-10",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-ethoxybutane",
      "cmpd_mwt": "102.17",
      "cmpd_formula": "C6H14O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCCCOCC",
      "cmpd_inchi": "InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3",
      "cmpd_inchikey": "PZHIWRCQKBBTOW-UHFFFAOYSA-N",
      "OH_k298": "2.2e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "6.6e-12",
      "OH_B": "-362",
      "OH_n": "",
      "OH_t_low": "243",
      "OH_t_high": "371",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-propoxypropane",
      "cmpd_mwt": "102.17",
      "cmpd_formula": "C6H14O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCCOCCC",
      "cmpd_inchi": "InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3",
      "cmpd_inchikey": "POLCUAVZOMRGSN-UHFFFAOYSA-N",
      "OH_k298": "2.09e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.21e-12",
      "OH_B": "-854",
      "OH_n": "2.19",
      "OH_t_low": "230",
      "OH_t_high": "1381",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6e-15",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "3.2e-12",
      "NO3_B": "1868",
      "NO3_n": "",
      "NO3_t_low": "258",
      "NO3_t_high": "373",
      "Cl_k298": "3.7e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethoxy-2-methylpropane",
      "cmpd_mwt": "102.17",
      "cmpd_formula": "C6H14O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCOC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3",
      "cmpd_inchikey": "NUMQCACRALPSHD-UHFFFAOYSA-N",
      "OH_k298": "8.7e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "3.4e-12",
      "OH_B": "-280",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8.56e-15",
      "NO3_uncert": "",
      "NO3_u_fac": "1.6",
      "NO3_A": "1.92e-12",
      "NO3_B": "1613",
      "NO3_n": "",
      "NO3_t_low": "257",
      "NO3_t_high": "363",
      "Cl_k298": "1.5e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-methylfurfural",
      "cmpd_mwt": "110.11",
      "cmpd_formula": "C6H6O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "Cc1ccc(o1)C=O",
      "cmpd_inchi": "InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3",
      "cmpd_inchikey": "OUDFNZMQXZILJD-UHFFFAOYSA-N",
      "OH_k298": "5.1e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.51e-12",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.1e-11",
      "Cl_uncert": "0.29",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(2E,4E)-muconaldehyde",
      "cmpd_mwt": "110.11",
      "cmpd_formula": "C6H6O2",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=C/C=C/C=C/C=O",
      "cmpd_inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h1-6H/b3-1+,4-2+",
      "cmpd_inchikey": "NDCAAPXLWRAESY-ZPUQHVIOSA-N",
      "OH_k298": "8.2e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(2Z,4E)-muconaldehyde",
      "cmpd_mwt": "110.11",
      "cmpd_formula": "C6H6O2",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=C/C=C/C=C\\C=O",
      "cmpd_inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h1-6H/b3-1-,4-2+",
      "cmpd_inchikey": "NDCAAPXLWRAESY-HSFFGMMNSA-N",
      "OH_k298": "9.1e-11",
      "OH_uncert": "0.41",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "muconaldehyde",
      "cmpd_mwt": "110.11",
      "cmpd_formula": "C6H6O2",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=CC=CC=CC=O",
      "cmpd_inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h1-6H",
      "cmpd_inchikey": "NDCAAPXLWRAESY-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "catechol",
      "cmpd_mwt": "110.11",
      "cmpd_formula": "C6H6O2",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Oc1ccccc1O",
      "cmpd_inchi": "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H",
      "cmpd_inchikey": "YCIMNLLNPGFGHC-UHFFFAOYSA-N",
      "OH_k298": "1e-10",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "9.2e-18",
      "O3_uncert": "",
      "O3_u_fac": "1.4",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.8e-11",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-3-hexene-2,5-dione",
      "cmpd_mwt": "112.13",
      "cmpd_formula": "C6H8O2",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC(=O)/C=C\\C(=O)C",
      "cmpd_inchi": "InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b4-3-",
      "cmpd_inchikey": "OTSKZNVDZOOHRX-ARJAWSKDSA-N",
      "OH_k298": "7.2e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.8e-18",
      "O3_uncert": "0.39",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-3-hexene-2,5-dione",
      "cmpd_mwt": "112.13",
      "cmpd_formula": "C6H8O2",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC(=O)/C=C/C(=O)C",
      "cmpd_inchi": "InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3/b4-3+",
      "cmpd_inchikey": "OTSKZNVDZOOHRX-ONEGZZNKSA-N",
      "OH_k298": "5.1e-11",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "8.3e-18",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-divinyloxyethane",
      "cmpd_mwt": "114.14",
      "cmpd_formula": "C6H10O2",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "C=COCCOC=C",
      "cmpd_inchi": "InChI=1S/C6H10O2/c1-3-7-5-6-8-4-2/h3-4H,1-2,5-6H2",
      "cmpd_inchikey": "ZXHDVRATSGZISC-UHFFFAOYSA-N",
      "OH_k298": "1.27e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.55e-16",
      "O3_uncert": "",
      "O3_u_fac": "1.7",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.08e-12",
      "NO3_uncert": "0.42",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,5-hexanedione",
      "cmpd_mwt": "114.14",
      "cmpd_formula": "C6H10O2",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CC(=O)CCC(=O)C",
      "cmpd_inchi": "InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3",
      "cmpd_inchikey": "OJVAMHKKJGICOG-UHFFFAOYSA-N",
      "OH_k298": "7.13e-12",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methylpentane-2,4-dione",
      "cmpd_mwt": "114.14",
      "cmpd_formula": "C6H10O2",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CC(C(=O)C)C(=O)C",
      "cmpd_inchi": "InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3",
      "cmpd_inchikey": "GSOHKPVFCOWKPU-UHFFFAOYSA-N",
      "OH_k298": "1.16e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-hydroxy-3-methyl-3-penten-2-one",
      "cmpd_mwt": "114.14",
      "cmpd_formula": "C6H10O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "CC(=C(O)C)C(=O)C",
      "cmpd_inchi": "InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h7H,1-3H3",
      "cmpd_inchikey": "ZBCJFUZOIPBJEF-UHFFFAOYSA-N",
      "OH_k298": "6.1e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hexane-2,3-dione",
      "cmpd_mwt": "114.14",
      "cmpd_formula": "C6H10O2",
      "cmpd_type": "alpha-dicarbonyl",
      "cmpd_smiles": "CCCC(=O)C(=O)C",
      "cmpd_inchi": "InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3",
      "cmpd_inchikey": "MWVFCEVNXHTDNF-UHFFFAOYSA-N",
      "OH_k298": "3.6e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.8e-11",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl crotonate",
      "cmpd_mwt": "114.14",
      "cmpd_formula": "C6H10O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCOC(=O)/C=C/C",
      "cmpd_inchi": "InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+",
      "cmpd_inchikey": "ZFDIRQKJPRINOQ-HWKANZROSA-N",
      "OH_k298": "5e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "8e-18",
      "O3_uncert": "0.23",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.52e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl methacrylate",
      "cmpd_mwt": "114.14",
      "cmpd_formula": "C6H10O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCOC(=O)C(=C)C",
      "cmpd_inchi": "InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3",
      "cmpd_inchikey": "SUPCQIBBMFXVTL-UHFFFAOYSA-N",
      "OH_k298": "4.3e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "7.7e-17",
      "O3_uncert": "0.39",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.79e-15",
      "NO3_uncert": "0.2",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.71e-10",
      "Cl_uncert": "0.4",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-methyl-2-butenoic acid methyl ester",
      "cmpd_mwt": "114.14",
      "cmpd_formula": "C6H10O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "COC(=O)/C(=C/C)/C",
      "cmpd_inchi": "InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+",
      "cmpd_inchikey": "YYJWBYNQJLBIGS-SNAWJCMRSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "6.72e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.9e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl-3-methyl-2-butenoate",
      "cmpd_mwt": "114.14",
      "cmpd_formula": "C6H10O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "COC(=O)C=C(C)C",
      "cmpd_inchi": "InChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3",
      "cmpd_inchikey": "FZIBCCGGICGWBP-UHFFFAOYSA-N",
      "OH_k298": "4.63e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.78e-12",
      "OH_B": "-838",
      "OH_n": "",
      "OH_t_low": "288",
      "OH_t_high": "314",
      "O3_k298": "1.3e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.4e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.18e-10",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-hydroxy-4-methyl-2-pentanone",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CC(=O)CC(O)(C)C",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3",
      "cmpd_inchikey": "SWXVUIWOUIDPGS-UHFFFAOYSA-N",
      "OH_k298": "4.5e-12",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "5.42e-13",
      "OH_B": "-630.774453606311",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "354",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.4e-11",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "t-butyl acetate",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CC(=O)OC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3",
      "cmpd_inchikey": "WMOVHXAZOJBABW-UHFFFAOYSA-N",
      "OH_k298": "5.75e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "2.87e-13",
      "OH_B": "-211",
      "OH_n": "2",
      "OH_t_low": "253",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.75e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylpropyl acetate",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CC(COC(=O)C)C",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3",
      "cmpd_inchikey": "GJRQTCIYDGXPES-UHFFFAOYSA-N",
      "OH_k298": "6.47e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.35e-13",
      "OH_B": "-1157",
      "OH_n": "2",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.04e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-hydroxy-2-hexanone",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CC(CCC(=O)C)O",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-5(7)3-4-6(2)8/h5,7H,3-4H2,1-2H3",
      "cmpd_inchikey": "ZSDLLTJVENEIDW-UHFFFAOYSA-N",
      "OH_k298": "2.2e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "6-hydroxy-3-hexanone",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "OCCCC(=O)CC",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-2-6(8)4-3-5-7/h7H,2-5H2,1H3",
      "cmpd_inchikey": "APQMHEQLBDXGMP-UHFFFAOYSA-N",
      "OH_k298": "1.7e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-butyl acetate",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCC(OC(=O)C)C",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3",
      "cmpd_inchikey": "DCKVNWZUADLDEH-UHFFFAOYSA-N",
      "OH_k298": "6.1e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "9.63e-14",
      "OH_B": "-1240",
      "OH_n": "2",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.8e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-hydroxy-3-hexanone",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CCC(=O)C(CC)O",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3",
      "cmpd_inchikey": "SKCYVGUCBRYGTE-UHFFFAOYSA-N",
      "OH_k298": "1.54e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "2.84e-12",
      "OH_B": "-504",
      "OH_n": "",
      "OH_t_low": "280",
      "OH_t_high": "365",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.4e-15",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl butanoate",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCC(=O)OCC",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3",
      "cmpd_inchikey": "OBNCKNCVKJNDBV-UHFFFAOYSA-N",
      "OH_k298": "4.5e-12",
      "OH_uncert": "0.36",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.02e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-hydroxy-2-hexanone",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CCCC(C(=O)C)O",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-3-4-6(8)5(2)7/h6,8H,3-4H2,1-2H3",
      "cmpd_inchikey": "UHSBCAJZDUQTHH-UHFFFAOYSA-N",
      "OH_k298": "2.2e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl n-pentanoate",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCCC(=O)OC",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3",
      "cmpd_inchikey": "HNBDRPTVWVGKBR-UHFFFAOYSA-N",
      "OH_k298": "5.26e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.69e-13",
      "OH_B": "-1028",
      "OH_n": "2",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.8e-11",
      "Cl_uncert": "0.29",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-butyl acetate",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCCOC(=O)C",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3",
      "cmpd_inchikey": "DKPFZGUDAPQIHT-UHFFFAOYSA-N",
      "OH_k298": "5.66e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.73e-13",
      "OH_B": "-908",
      "OH_n": "2",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.22e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "5.34e-11",
      "Cl_B": "-245",
      "Cl_n": "",
      "Cl_t_low": "265",
      "Cl_t_high": "383"
    },
    {
      "cmpd_name": "n-propyl propanoate",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCOC(=O)CC",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3",
      "cmpd_inchikey": "MCSINKKTEDDPNK-UHFFFAOYSA-N",
      "OH_k298": "4e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.02e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl 2,2-dimethylpropanoate",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "COC(=O)C(C)(C)C",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3",
      "cmpd_inchikey": "CNMFHDIDIMZHKY-UHFFFAOYSA-N",
      "OH_k298": "1.19e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.11e-15",
      "OH_B": "-2096",
      "OH_n": "6.95",
      "OH_t_low": "250",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.93e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-2,4-pentanediol",
      "cmpd_mwt": "118.17",
      "cmpd_formula": "C6H14O2",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CC(CC(O)(C)C)O",
      "cmpd_inchi": "InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3",
      "cmpd_inchikey": "SVTBMSDMJJWYQN-UHFFFAOYSA-N",
      "OH_k298": "1.36e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-butoxyethanol",
      "cmpd_mwt": "118.17",
      "cmpd_formula": "C6H14O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "CCCCOCCO",
      "cmpd_inchi": "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3",
      "cmpd_inchikey": "POAOYUHQDCAZBD-UHFFFAOYSA-N",
      "OH_k298": "3e-11",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.1e-15",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-diethoxyethane",
      "cmpd_mwt": "118.17",
      "cmpd_formula": "C6H14O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCOCCOCC",
      "cmpd_inchi": "InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3",
      "cmpd_inchikey": "LZDKZFUFMNSQCJ-UHFFFAOYSA-N",
      "OH_k298": "5.7e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "5.22e-13",
      "OH_B": "-1400",
      "OH_n": "2",
      "OH_t_low": "298",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-dimethoxybutane",
      "cmpd_mwt": "118.17",
      "cmpd_formula": "C6H14O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "COCCCCOC",
      "cmpd_inchi": "InChI=1S/C6H14O2/c1-7-5-3-4-6-8-2/h3-6H2,1-2H3",
      "cmpd_inchikey": "HMCUNLUHTBHKTB-UHFFFAOYSA-N",
      "OH_k298": "3e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chlorohexane",
      "cmpd_mwt": "120.62",
      "cmpd_formula": "C6H13Cl",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCCCCCCl",
      "cmpd_inchi": "InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3",
      "cmpd_inchikey": "MLRVZFYXUZQSRU-UHFFFAOYSA-N",
      "OH_k298": "3.91e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.79e-11",
      "OH_B": "747",
      "OH_n": "",
      "OH_t_low": "295",
      "OH_t_high": "353",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "nitrobenzene",
      "cmpd_mwt": "123.11",
      "cmpd_formula": "C6H5NO2",
      "cmpd_type": "nitrophenol",
      "cmpd_smiles": "[O-][N+](=O)c1ccccc1",
      "cmpd_inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H",
      "cmpd_inchikey": "LQNUZADURLCDLV-UHFFFAOYSA-N",
      "OH_k298": "1.4e-13",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "6e-13",
      "OH_B": "440",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.4e-13",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethoxyethyl acetate",
      "cmpd_mwt": "132.16",
      "cmpd_formula": "C6H12O3",
      "cmpd_type": "alcohol or glycol ether ester",
      "cmpd_smiles": "CCOCCOC(=O)C",
      "cmpd_inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3",
      "cmpd_inchikey": "SVONRAPFKPVNKG-UHFFFAOYSA-N",
      "OH_k298": "1.21e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.4e-12",
      "OH_B": "-642",
      "OH_n": "",
      "OH_t_low": "273",
      "OH_t_high": "368",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-(2-ethoxyethoxy)ethanol",
      "cmpd_mwt": "134.17",
      "cmpd_formula": "C6H14O3",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "OCCOCCOCC",
      "cmpd_inchi": "InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3",
      "cmpd_inchikey": "XXJWXESWEXIICW-UHFFFAOYSA-N",
      "OH_k298": "5.72e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,3-trimethoxypropane",
      "cmpd_mwt": "134.17",
      "cmpd_formula": "C6H14O3",
      "cmpd_type": "ether",
      "cmpd_smiles": "COCCC(OC)OC",
      "cmpd_inchi": "InChI=1S/C6H14O3/c1-7-5-4-6(8-2)9-3/h6H,4-5H2,1-3H3",
      "cmpd_inchikey": "FKZYYYDRLJCHGL-UHFFFAOYSA-N",
      "OH_k298": "1.67e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nitrocyclohexene",
      "cmpd_mwt": "127.14",
      "cmpd_formula": "C6H9NO2",
      "cmpd_type": "unsaturated nitro compound",
      "cmpd_smiles": "[O-][N+](=O)C1=CCCCC1",
      "cmpd_inchi": "InChI=1S/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2",
      "cmpd_inchikey": "DJBRXNRKYAWTBL-UHFFFAOYSA-N",
      "OH_k298": "4.37e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.4e-18",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "1.3e-16",
      "O3_B": "1419",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "331",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4-dihydroxy-3-hexene-2,5-dione",
      "cmpd_mwt": "144.13",
      "cmpd_formula": "C6H8O4",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "OC(=C(C(=O)C)O)C(=O)C",
      "cmpd_inchi": "InChI=1S/C6H8O4/c1-3(7)5(9)6(10)4(2)8/h9-10H,1-2H3",
      "cmpd_inchikey": "QDILFPZEGWZMON-UHFFFAOYSA-N",
      "OH_k298": "2.7e-10",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.6e-18",
      "O3_uncert": "0.39",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclohexyl nitrate",
      "cmpd_mwt": "145.16",
      "cmpd_formula": "C6H11NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC1CCCCC1",
      "cmpd_inchi": "InChI=1S/C6H11NO3/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2",
      "cmpd_inchikey": "HLYOOCIMLHNMOG-UHFFFAOYSA-N",
      "OH_k298": "3.06e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-acetoxyethyl acetate",
      "cmpd_mwt": "146.14",
      "cmpd_formula": "C6H10O4",
      "cmpd_type": "ester",
      "cmpd_smiles": "CC(=O)OCCOC(=O)C",
      "cmpd_inchi": "InChI=1S/C6H10O4/c1-5(7)9-3-4-10-6(2)8/h3-4H2,1-2H3",
      "cmpd_inchikey": "JTXMVXSTHSMVQF-UHFFFAOYSA-N",
      "OH_k298": "2.16e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.7e-12",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethyl succinate",
      "cmpd_mwt": "146.14",
      "cmpd_formula": "C6H10O4",
      "cmpd_type": "ester",
      "cmpd_smiles": "COC(=O)CCC(=O)OC",
      "cmpd_inchi": "InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "MUXOBHXGJLMRAB-UHFFFAOYSA-N",
      "OH_k298": "1.64e-12",
      "OH_uncert": "0.24",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.79e-12",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-2-pentyl nitrate",
      "cmpd_mwt": "147.17",
      "cmpd_formula": "C6H13NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC(C(CC)C)C",
      "cmpd_inchi": "InChI=1S/C6H13NO3/c1-4-5(2)6(3)10-7(8)9/h5-6H,4H2,1-3H3",
      "cmpd_inchikey": "IEHIEWLLOPOHIZ-UHFFFAOYSA-N",
      "OH_k298": "2.8e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-2-pentyl nitrate",
      "cmpd_mwt": "147.17",
      "cmpd_formula": "C6H13NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CCCC(O[N+](=O)[O-])(C)C",
      "cmpd_inchi": "InChI=1S/C6H13NO3/c1-4-5-6(2,3)10-7(8)9/h4-5H2,1-3H3",
      "cmpd_inchikey": "LFIPHSRTIDHJFT-UHFFFAOYSA-N",
      "OH_k298": "1.59e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-hexyl nitrate",
      "cmpd_mwt": "147.17",
      "cmpd_formula": "C6H13NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CCCC(O[N+](=O)[O-])CC",
      "cmpd_inchi": "InChI=1S/C6H13NO3/c1-3-5-6(4-2)10-7(8)9/h6H,3-5H2,1-2H3",
      "cmpd_inchikey": "OJOZCOXRANAOPV-UHFFFAOYSA-N",
      "OH_k298": "2.5e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-hexyl nitrate",
      "cmpd_mwt": "147.17",
      "cmpd_formula": "C6H13NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC(CCCC)C",
      "cmpd_inchi": "InChI=1S/C6H13NO3/c1-3-4-5-6(2)10-7(8)9/h6H,3-5H2,1-2H3",
      "cmpd_inchikey": "JLGBOJJVQLNMGV-UHFFFAOYSA-N",
      "OH_k298": "2.94e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(2-oxocyclohexyl) nitrate",
      "cmpd_mwt": "159.14",
      "cmpd_formula": "C6H9NO4",
      "cmpd_type": "oxygenate nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC1CCCCC1=O",
      "cmpd_inchi": "InChI=1S/C6H9NO4/c8-5-3-1-2-4-6(5)11-7(9)10/h6H,1-4H2",
      "cmpd_inchikey": "PHRHYPRPDSBUBL-UHFFFAOYSA-N",
      "OH_k298": "3.47e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "6-nitrooxy-1-hexanol",
      "cmpd_mwt": "163.17",
      "cmpd_formula": "C6H13NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "OCCCCCCO[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C6H13NO4/c8-5-3-1-2-4-6-11-7(9)10/h8H,1-6H2",
      "cmpd_inchikey": "RWHOTTRMDQXOPY-UHFFFAOYSA-N",
      "OH_k298": "3.09e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.44e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-bromohexane",
      "cmpd_mwt": "165.07",
      "cmpd_formula": "C6H13Br",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCCCCCBr",
      "cmpd_inchi": "InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3",
      "cmpd_inchikey": "MNDIARAMWBIKFW-UHFFFAOYSA-N",
      "OH_k298": "5.5e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.72e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5,5,6,6,6-nonafluorohexanal",
      "cmpd_mwt": "262.07",
      "cmpd_formula": "C6H3OF9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H3F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h2H,1H2",
      "cmpd_inchikey": "PLXBWBKXCKSJRL-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.8e-11",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-ethoxy-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane",
      "cmpd_mwt": "264.09",
      "cmpd_formula": "C6H5OF9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCOC(C(C(F)(F)F)(C(F)(F)F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H5F9O/c1-2-16-6(14,15)3(7,4(8,9)10)5(11,12)13/h2H2,1H3",
      "cmpd_inchikey": "SQEGLLMNIBLLNQ-UHFFFAOYSA-N",
      "OH_k298": "7.9e-14",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane",
      "cmpd_mwt": "264.09",
      "cmpd_formula": "C6H5OF9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3",
      "cmpd_inchikey": "DFUYAWQUODQGFF-UHFFFAOYSA-N",
      "OH_k298": "6.5e-14",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5,5,6,6,6-nonafluoro-1-hexanol",
      "cmpd_mwt": "264.09",
      "cmpd_formula": "C6H5OF9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2",
      "cmpd_inchikey": "JCMNMOBHVPONLD-UHFFFAOYSA-N",
      "OH_k298": "1e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.73e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,5,5,6,6,6-decafluorohexane",
      "cmpd_mwt": "266.08",
      "cmpd_formula": "C6H4F10",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(F)(F)F)(CCC(C(F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C6H4F10/c7-3(8,5(11,12)13)1-2-4(9,10)6(14,15)16/h1-2H2",
      "cmpd_inchikey": "FUCPNELYUCUXTJ-UHFFFAOYSA-N",
      "OH_k298": "8.3e-15",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane",
      "cmpd_mwt": "282.08",
      "cmpd_formula": "C6H4OF10",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C(COC(C(C(F)(F)F)F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C6H4F10O/c7-2(5(12,13)14)6(15,16)17-1-4(10,11)3(8)9/h2-3H,1H2",
      "cmpd_inchikey": "DOESGSGKEZIPFW-UHFFFAOYSA-N",
      "OH_k298": "1.29e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "2.44e-12",
      "OH_B": "1563",
      "OH_n": "",
      "OH_t_low": "268",
      "OH_t_high": "308",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)-2-pentene",
      "cmpd_mwt": "300.05",
      "cmpd_formula": "C6F12",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15",
      "cmpd_inchikey": "FAEGGADNHFKDQX-UHFFFAOYSA-N",
      "OH_k298": "7.1e-14",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "7.1e-14",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "480",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane",
      "cmpd_mwt": "300.07",
      "cmpd_formula": "C6H3OF11",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H3F11O/c1-18-6(16,17)4(11,12)2(7,8)3(9,10)5(13,14)15/h1H3",
      "cmpd_inchikey": "FBPBXYQMWDFSOE-UHFFFAOYSA-N",
      "OH_k298": "1.2e-14",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,3,3-hexafluoro-3-(2,2,3,3,3-pentafluoropropoxy)propane",
      "cmpd_mwt": "300.07",
      "cmpd_formula": "C6H3OF11",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C(OCC(C(F)(F)F)(F)F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H3F11O/c7-2(4(10,11)12)5(13,14)18-1-3(8,9)6(15,16)17/h2H,1H2",
      "cmpd_inchikey": "JOROOXPAFHWVRW-UHFFFAOYSA-N",
      "OH_k298": "6.3e-15",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "8.46e-13",
      "OH_B": "1460",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane",
      "cmpd_mwt": "320.05",
      "cmpd_formula": "C6HF13",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C6HF13/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)19/h1H",
      "cmpd_inchikey": "XJSRKJAHJGCPGC-UHFFFAOYSA-N",
      "OH_k298": "1.8e-15",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "5.76e-13",
      "OH_B": "1726",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-[difluoro(trifluoromethoxy)methoxy]-1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propane",
      "cmpd_mwt": "386.04",
      "cmpd_formula": "C6O3F14",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(OC(C(C(F)(F)F)(OC(F)(F)F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6F14O3/c7-1(2(8,9)10,21-4(13,14)15)3(11,12)22-6(19,20)23-5(16,17)18",
      "cmpd_inchikey": "DWDSPARIQHQUCN-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3,5-cycloheptatriene",
      "cmpd_mwt": "92.14",
      "cmpd_formula": "C7H8",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "C1=CC=CC=CC1",
      "cmpd_inchi": "InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2",
      "cmpd_inchikey": "CHVJITGCYZJHLR-UHFFFAOYSA-N",
      "OH_k298": "9.7e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.4e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.2e-12",
      "NO3_uncert": "0.33",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bicyclo[2.2.1]-2,5-heptadiene",
      "cmpd_mwt": "92.14",
      "cmpd_formula": "C7H8",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "C1=CC2CC1C=C2",
      "cmpd_inchi": "InChI=1S/C7H8/c1-2-7-4-3-6(1)5-7/h1-4,6-7H,5H2",
      "cmpd_inchikey": "SJYNFBVQFBRSIB-UHFFFAOYSA-N",
      "OH_k298": "1.2e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.6e-15",
      "O3_uncert": "0.35",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1e-12",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "quadricyclane",
      "cmpd_mwt": "92.14",
      "cmpd_formula": "C7H8",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1C2C3C2C2C1C32",
      "cmpd_inchi": "InChI=1S/C7H8/c1-2-4-5(2)7-3(1)6(4)7/h2-7H,1H2",
      "cmpd_inchikey": "DGZUEIPKRRSMGK-UHFFFAOYSA-N",
      "OH_k298": "1.7e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "toluene",
      "cmpd_mwt": "92.14",
      "cmpd_formula": "C7H8",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1ccccc1",
      "cmpd_inchi": "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3",
      "cmpd_inchikey": "YXFVVABEGXRONW-UHFFFAOYSA-N",
      "OH_k298": "5.6e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "1.8e-12",
      "OH_B": "-340",
      "OH_n": "",
      "OH_t_low": "210",
      "OH_t_high": "350",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.6e-17",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6e-11",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methylenecyclohexene",
      "cmpd_mwt": "94.15",
      "cmpd_formula": "C7H10",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "C=C1CCCC=C1",
      "cmpd_inchi": "InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h3,5H,1-2,4,6H2",
      "cmpd_inchikey": "XVKFDCVTYBMNRZ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.7e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3-cycloheptadiene",
      "cmpd_mwt": "94.15",
      "cmpd_formula": "C7H10",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "C1CC=CC=CC1",
      "cmpd_inchi": "InChI=1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2",
      "cmpd_inchikey": "GWYPDXLJACEENP-UHFFFAOYSA-N",
      "OH_k298": "1.39e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.5e-16",
      "O3_uncert": "0.35",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.5e-12",
      "NO3_uncert": "0.31",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-norbornene",
      "cmpd_mwt": "94.15",
      "cmpd_formula": "C7H10",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C1CC2CC1C=C2",
      "cmpd_inchi": "InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2",
      "cmpd_inchikey": "JFNLZVQOOSMTJK-UHFFFAOYSA-N",
      "OH_k298": "4.9e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.23e-15",
      "O3_uncert": "0.43",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.59e-13",
      "NO3_uncert": "0.2",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylenecyclohexane",
      "cmpd_mwt": "96.17",
      "cmpd_formula": "C7H12",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C=C1CCCCC1",
      "cmpd_inchi": "InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2",
      "cmpd_inchikey": "YULMNMJFAZWLLN-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.8e-17",
      "O3_uncert": "0.39",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "norbornane",
      "cmpd_mwt": "96.17",
      "cmpd_formula": "C7H12",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CC2CC1CC2",
      "cmpd_inchi": "InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2",
      "cmpd_inchikey": "UMRZSTCPUPJPOJ-UHFFFAOYSA-N",
      "OH_k298": "5.1e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cycloheptene",
      "cmpd_mwt": "96.17",
      "cmpd_formula": "C7H12",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C1CCC=CCC1",
      "cmpd_inchi": "InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2",
      "cmpd_inchikey": "ZXIJMRYMVAMXQP-UHFFFAOYSA-N",
      "OH_k298": "7.4e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.5e-16",
      "O3_uncert": "0.25",
      "O3_u_fac": "",
      "O3_A": "1.31e-15",
      "O3_B": "494",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "331",
      "NO3_k298": "5e-13",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.68e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "3.42e-11",
      "Cl_B": "-827",
      "Cl_n": "",
      "Cl_t_low": "280",
      "Cl_t_high": "360"
    },
    {
      "cmpd_name": "2-methyl-1,5-hexadiene",
      "cmpd_mwt": "96.17",
      "cmpd_formula": "C7H12",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=CCCC(=C)C",
      "cmpd_inchi": "InChI=1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3",
      "cmpd_inchikey": "SLQMKNPIYMOEGB-UHFFFAOYSA-N",
      "OH_k298": "9.6e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.07e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-methylhexa-1,3-diene",
      "cmpd_mwt": "96.17",
      "cmpd_formula": "C7H12",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "C=CC=CC(C)C",
      "cmpd_inchi": "InChI=1S/C7H12/c1-4-5-6-7(2)3/h4-7H,1H2,2-3H3",
      "cmpd_inchikey": "HQLSCIPCIFAMOK-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.4e-17",
      "O3_uncert": "0.25",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methylcyclohexene",
      "cmpd_mwt": "96.17",
      "cmpd_formula": "C7H12",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1=CCCCC1",
      "cmpd_inchi": "InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3",
      "cmpd_inchikey": "CTMHWPIWNRWQEG-UHFFFAOYSA-N",
      "OH_k298": "9.4e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.46e-16",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "4.79e-15",
      "O3_B": "1040",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "331",
      "NO3_k298": "9.31e-12",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "9.69e-13",
      "NO3_B": "-674",
      "NO3_n": "",
      "NO3_t_low": "298",
      "NO3_t_high": "433",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methylcyclohexene",
      "cmpd_mwt": "96.17",
      "cmpd_formula": "C7H12",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1CCC=CC1",
      "cmpd_inchi": "InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3",
      "cmpd_inchikey": "FSWCCQWDVGZMRD-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "7.31e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methylcyclohexene",
      "cmpd_mwt": "96.17",
      "cmpd_formula": "C7H12",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1CCCC=C1",
      "cmpd_inchi": "InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3",
      "cmpd_inchikey": "UZPWKTCMUADILM-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "6.87e-17",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "1.68e-15",
      "O3_B": "953",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "331",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-4,4-dimethylpent-2-ene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "C/C=C/C(C)(C)C",
      "cmpd_inchi": "InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5+",
      "cmpd_inchikey": "BIDIHFPLDRSAMB-AATRIKPKSA-N",
      "OH_k298": "5.5e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cycloheptane",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CCCCCC1",
      "cmpd_inchi": "InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2",
      "cmpd_inchikey": "DMEGYFMYUHOHGS-UHFFFAOYSA-N",
      "OH_k298": "9.95e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "5.57e-12",
      "OH_B": "-177",
      "OH_n": "2",
      "OH_t_low": "233",
      "OH_t_high": "408",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.22e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3,3-trimethyl-1-butene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CC(=C)C(C)(C)C",
      "cmpd_inchi": "InChI=1S/C7H14/c1-6(2)7(3,4)5/h1H2,2-5H3",
      "cmpd_inchikey": "AUYRUAVCWOAHQN-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "7.8e-18",
      "O3_uncert": "0.29",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4,4-dimethyl-1-pentene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "C=CCC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3",
      "cmpd_inchikey": "KLCNJIQZXOQYTE-UHFFFAOYSA-N",
      "OH_k298": "2.41e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.3e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4-dimethyl-1-pentene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "C=CC(C(C)C)C",
      "cmpd_inchi": "InChI=1S/C7H14/c1-5-7(4)6(2)3/h5-7H,1H2,2-4H3",
      "cmpd_inchikey": "WFHXQNMTMDKVJG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.4e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-methyl-1-hexene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "C=CCCC(C)C",
      "cmpd_inchi": "InChI=1S/C7H14/c1-4-5-6-7(2)3/h4,7H,1,5-6H2,2-3H3",
      "cmpd_inchikey": "JIUFYGIESXPUPL-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.1e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylcyclohexane",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CC1CCCCC1",
      "cmpd_inchi": "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3",
      "cmpd_inchikey": "UAEPNZWRGJTJPN-UHFFFAOYSA-N",
      "OH_k298": "9.26e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.54e-12",
      "OH_B": "-539",
      "OH_n": "2.26",
      "OH_t_low": "230",
      "OH_t_high": "1273",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.54e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "1.92e-11",
      "Cl_B": "-867.951583132319",
      "Cl_n": "",
      "Cl_t_low": "283",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "3,3-dimethyl-1-pentene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCC(C=C)(C)C",
      "cmpd_inchi": "InChI=1S/C7H14/c1-5-7(3,4)6-2/h5H,1,6H2,2-4H3",
      "cmpd_inchikey": "TXBZITDWMURSEF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.4e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dimethyl-2-pentene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCC(=C(C)C)C",
      "cmpd_inchi": "InChI=1S/C7H14/c1-5-7(4)6(2)3/h5H2,1-4H3",
      "cmpd_inchikey": "WFHALSLYRWWUGH-UHFFFAOYSA-N",
      "OH_k298": "1.03e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methyl-1-hexene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CC(CC)CC=C",
      "cmpd_inchi": "InChI=1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3",
      "cmpd_inchikey": "SUWJESCICIOQHO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.8e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-1-hexene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CC(C=C)CCC",
      "cmpd_inchi": "InChI=1S/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3",
      "cmpd_inchikey": "RITONZMLZWYPHW-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.6e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-heptene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCCC/C=C/C",
      "cmpd_inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+",
      "cmpd_inchikey": "OTTZHAVKAVGASB-HWKANZROSA-N",
      "OH_k298": "6.8e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-hexene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCC(=C)C",
      "cmpd_inchi": "InChI=1S/C7H14/c1-4-5-6-7(2)3/h2,4-6H2,1,3H3",
      "cmpd_inchikey": "IRUDSQHLKGNCGF-UHFFFAOYSA-N",
      "OH_k298": "6.5e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.3e-13",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z/E)-2-heptene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCCCC=CC",
      "cmpd_inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3",
      "cmpd_inchikey": "OTTZHAVKAVGASB-UHFFFAOYSA-N",
      "OH_k298": "6.8e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-heptene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCC=C",
      "cmpd_inchi": "InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3",
      "cmpd_inchikey": "ZGEGCLOFRBLKSE-UHFFFAOYSA-N",
      "OH_k298": "3.88e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.16e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "4.2e-15",
      "O3_B": "1756",
      "O3_n": "",
      "O3_t_low": "278",
      "O3_t_high": "353",
      "NO3_k298": "2e-14",
      "NO3_uncert": "0.35",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.4e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3-trimethylbutane",
      "cmpd_mwt": "100.2",
      "cmpd_formula": "C7H16",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CC(C(C)(C)C)C",
      "cmpd_inchi": "InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3",
      "cmpd_inchikey": "ZISSAWUMDACLOM-UHFFFAOYSA-N",
      "OH_k298": "3.81e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.2e-16",
      "NO3_uncert": "0.27",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.93e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4-dimethylpentane",
      "cmpd_mwt": "100.2",
      "cmpd_formula": "C7H16",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CC(CC(C)C)C",
      "cmpd_inchi": "InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3",
      "cmpd_inchikey": "BZHMBWZPUJHVEE-UHFFFAOYSA-N",
      "OH_k298": "5.76e-12",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "2.7e-11",
      "OH_B": "460",
      "OH_n": "",
      "OH_t_low": "272",
      "OH_t_high": "410",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.45e-16",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.77e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dimethylpentane",
      "cmpd_mwt": "100.2",
      "cmpd_formula": "C7H16",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCC(C(C)C)C",
      "cmpd_inchi": "InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3",
      "cmpd_inchikey": "WGECXQBGLLYSFP-UHFFFAOYSA-N",
      "OH_k298": "6.57e-12",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "1.53e-11",
      "OH_B": "252",
      "OH_n": "",
      "OH_t_low": "287",
      "OH_t_high": "403",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-heptane",
      "cmpd_mwt": "100.2",
      "cmpd_formula": "C7H16",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCCCCC",
      "cmpd_inchi": "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3",
      "cmpd_inchikey": "IMNFDUFMRHMDMM-UHFFFAOYSA-N",
      "OH_k298": "6.23e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "3.84e-12",
      "OH_B": "-148",
      "OH_n": "1.79",
      "OH_t_low": "240",
      "OH_t_high": "1364",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.4e-16",
      "NO3_uncert": "0.21",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.8e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "benzaldehyde",
      "cmpd_mwt": "106.12",
      "cmpd_formula": "C7H6O",
      "cmpd_type": "aromatic aldehyde",
      "cmpd_smiles": "O=Cc1ccccc1",
      "cmpd_inchi": "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H",
      "cmpd_inchikey": "HUMNYLRZRPPJDN-UHFFFAOYSA-N",
      "OH_k298": "1.26e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "5.9e-12",
      "OH_B": "-225",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "350",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.12e-15",
      "NO3_uncert": "0.27",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.9e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "m-cresol",
      "cmpd_mwt": "108.14",
      "cmpd_formula": "C7H8O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1cccc(c1)O",
      "cmpd_inchi": "InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3",
      "cmpd_inchikey": "RLSSMJSEOOYNOY-UHFFFAOYSA-N",
      "OH_k298": "5.9e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "2.3e-12",
      "OH_B": "-965",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "350",
      "O3_k298": "1.9e-19",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1e-11",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "p-cresol",
      "cmpd_mwt": "108.14",
      "cmpd_formula": "C7H8O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1ccc(cc1)O",
      "cmpd_inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3",
      "cmpd_inchikey": "IWDCLRJOBJJRNH-UHFFFAOYSA-N",
      "OH_k298": "4.9e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "1.9e-12",
      "OH_B": "-970",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "350",
      "O3_k298": "4.7e-19",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.1e-11",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "o-cresol",
      "cmpd_mwt": "108.14",
      "cmpd_formula": "C7H8O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1ccccc1O",
      "cmpd_inchi": "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3",
      "cmpd_inchikey": "QWVGKYWNOKOFNN-UHFFFAOYSA-N",
      "OH_k298": "4.1e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "1.6e-12",
      "OH_B": "-970",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "350",
      "O3_k298": "2.6e-19",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.4e-11",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "toluene oxide",
      "cmpd_mwt": "108.14",
      "cmpd_formula": "C7H8O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "CC12C=CC=CC2O1",
      "cmpd_inchi": "InChI=1S/C7H8O/c1-7-5-3-2-4-6(7)8-7/h2-6H,1H3",
      "cmpd_inchikey": "FHYLEJSGUQBKRQ-UHFFFAOYSA-N",
      "OH_k298": "2.1e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.27e-11",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "anisole",
      "cmpd_mwt": "108.14",
      "cmpd_formula": "C7H8O",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "COc1ccccc1",
      "cmpd_inchi": "InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3",
      "cmpd_inchikey": "RDOXTESZEPMUJZ-UHFFFAOYSA-N",
      "OH_k298": "2.04e-11",
      "OH_uncert": "0.32",
      "OH_u_fac": "",
      "OH_A": "5.06e-12",
      "OH_B": "-415",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "330",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.5e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.07e-10",
      "Cl_uncert": "0.22",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "phenylmethanol",
      "cmpd_mwt": "108.14",
      "cmpd_formula": "C7H8O",
      "cmpd_type": "aromatic oxygenate",
      "cmpd_smiles": "OCc1ccccc1",
      "cmpd_inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2",
      "cmpd_inchikey": "WVDDGKGOMKODPV-UHFFFAOYSA-N",
      "OH_k298": "2.7e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4e-15",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.3e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(3E)-4-methyl-3,5-hexadienal",
      "cmpd_mwt": "110.15",
      "cmpd_formula": "C7H10O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=CC/C=C(/C=C)\\C",
      "cmpd_inchi": "InChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h3,5-6H,1,4H2,2H3/b7-5+",
      "cmpd_inchikey": "UBNCSFPTYOCELD-FNORWQNLSA-N",
      "OH_k298": "2.52e-10",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.7e-17",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.75e-12",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methylene-5-hexenal",
      "cmpd_mwt": "110.15",
      "cmpd_formula": "C7H10O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=CCCC(=C)C=C",
      "cmpd_inchi": "InChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h3,6H,1-2,4-5H2",
      "cmpd_inchikey": "GTQGBVLUEUNXCG-UHFFFAOYSA-N",
      "OH_k298": "1.55e-10",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.5e-17",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.8e-13",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methylhex-3(z),5-dienal",
      "cmpd_mwt": "110.15",
      "cmpd_formula": "C7H10O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=CC/C=C(\\C=C)/C",
      "cmpd_inchi": "InChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h3,5-6H,1,4H2,2H3/b7-5-",
      "cmpd_inchikey": "UBNCSFPTYOCELD-ALCCZGGFSA-N",
      "OH_k298": "1.61e-10",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.4e-17",
      "O3_uncert": "0.41",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.18e-12",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-2-cyclohexen-1-one",
      "cmpd_mwt": "110.15",
      "cmpd_formula": "C7H10O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC1=CC(=O)CCC1",
      "cmpd_inchi": "InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3",
      "cmpd_inchikey": "IITQJMYAYSNIMI-UHFFFAOYSA-N",
      "OH_k298": "3.1e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methyl-3-cyclohexen-1-one",
      "cmpd_mwt": "110.15",
      "cmpd_formula": "C7H10O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC1=CCC(=O)CC1",
      "cmpd_inchi": "InChI=1S/C7H10O/c1-6-2-4-7(8)5-3-6/h2H,3-5H2,1H3",
      "cmpd_inchikey": "POKCGQXKNIJLCR-UHFFFAOYSA-N",
      "OH_k298": "1.1e-10",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "7.4e-17",
      "O3_uncert": "0.41",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.8e-12",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-4-heptenal",
      "cmpd_mwt": "112.17",
      "cmpd_formula": "C7H12O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "CC/C=C\\CCC=O",
      "cmpd_inchi": "InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-",
      "cmpd_inchikey": "VVGOCOMZRGWHPI-ARJAWSKDSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.8e-13",
      "NO3_uncert": "0.34",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-heptenal",
      "cmpd_mwt": "112.17",
      "cmpd_formula": "C7H12O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "CCCC/C=C/C=O",
      "cmpd_inchi": "InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+",
      "cmpd_inchikey": "NDFKTBCGKNOHPJ-AATRIKPKSA-N",
      "OH_k298": "4.4e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "9.7e-12",
      "OH_B": "-450",
      "OH_n": "",
      "OH_t_low": "244",
      "OH_t_high": "374",
      "O3_k298": "2.47e-18",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2e-14",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.4e-10",
      "Cl_uncert": "0.42",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "Cyclohexanal",
      "cmpd_mwt": "112.17",
      "cmpd_formula": "C7H12O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "O=CC1CCCCC1",
      "cmpd_inchi": "InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h6-7H,1-5H2",
      "cmpd_inchikey": "KVFDZFBHBWTVID-UHFFFAOYSA-N",
      "OH_k298": "3.7e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.31e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4-dimethylpentan-3-one",
      "cmpd_mwt": "114.19",
      "cmpd_formula": "C7H14O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CC(C(=O)C(C)C)C",
      "cmpd_inchi": "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3",
      "cmpd_inchikey": "HXVNBWAKAOHACI-UHFFFAOYSA-N",
      "OH_k298": "4.9e-12",
      "OH_uncert": "0.41",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-methyl-2-hexanone",
      "cmpd_mwt": "114.19",
      "cmpd_formula": "C7H14O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CC(CCC(=O)C)C",
      "cmpd_inchi": "InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3",
      "cmpd_inchikey": "FFWSICBKRCICMR-UHFFFAOYSA-N",
      "OH_k298": "1.2e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "1.25e-12",
      "OH_B": "-674",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-10",
      "Cl_uncert": "0.22",
      "Cl_u_fac": "",
      "Cl_A": "7.36e-12",
      "Cl_B": "-877",
      "Cl_n": "",
      "Cl_t_low": "268",
      "Cl_t_high": "380"
    },
    {
      "cmpd_name": "2,3-dimethylpentanal",
      "cmpd_mwt": "114.19",
      "cmpd_formula": "C7H14O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CCC(C(C=O)C)C",
      "cmpd_inchi": "InChI=1S/C7H14O/c1-4-6(2)7(3)5-8/h5-7H,4H2,1-3H3",
      "cmpd_inchikey": "BOHKXQAJUVXBDQ-UHFFFAOYSA-N",
      "OH_k298": "4.2e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-heptanone",
      "cmpd_mwt": "114.19",
      "cmpd_formula": "C7H14O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CCCCCC(=O)C",
      "cmpd_inchi": "InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3",
      "cmpd_inchikey": "CATSNJVOTSVZJV-UHFFFAOYSA-N",
      "OH_k298": "9.4e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "3.17e-13",
      "OH_B": "-972",
      "OH_n": "2.27",
      "OH_t_low": "260",
      "OH_t_high": "405",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "heptanal",
      "cmpd_mwt": "114.19",
      "cmpd_formula": "C7H14O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CCCCCCC=O",
      "cmpd_inchi": "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3",
      "cmpd_inchikey": "FXHGMKSSBGDXIY-UHFFFAOYSA-N",
      "OH_k298": "2.96e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.97e-14",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "1.1e-10",
      "Cl_B": "-306",
      "Cl_n": "",
      "Cl_t_low": "265",
      "Cl_t_high": "381"
    },
    {
      "cmpd_name": "2,4-dimethyl-2-pentanol",
      "cmpd_mwt": "116.2",
      "cmpd_formula": "C7H16O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CC(CC(O)(C)C)C",
      "cmpd_inchi": "InChI=1S/C7H16O/c1-6(2)5-7(3,4)8/h6,8H,5H2,1-4H3",
      "cmpd_inchikey": "FMLSQAUAAGVTJO-UHFFFAOYSA-N",
      "OH_k298": "1.1e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropyl isobutyl ether",
      "cmpd_mwt": "116.2",
      "cmpd_formula": "C7H16O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC(OCC(C)C)C",
      "cmpd_inchi": "InChI=1S/C7H16O/c1-6(2)5-8-7(3)4/h6-7H,5H2,1-4H3",
      "cmpd_inchikey": "HIIBZFKVMXEQMR-UHFFFAOYSA-N",
      "OH_k298": "2.1e-11",
      "OH_uncert": "0.33",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-heptanol",
      "cmpd_mwt": "116.2",
      "cmpd_formula": "C7H16O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCC(CCC)O",
      "cmpd_inchi": "InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3",
      "cmpd_inchikey": "YVBCULSIZWMTFY-UHFFFAOYSA-N",
      "OH_k298": "1.7e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-heptanol",
      "cmpd_mwt": "116.2",
      "cmpd_formula": "C7H16O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCCCCCO",
      "cmpd_inchi": "InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3",
      "cmpd_inchikey": "BBMCTIGTTCKYKF-UHFFFAOYSA-N",
      "OH_k298": "1.3e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.7e-10",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "benzoic acid",
      "cmpd_mwt": "122.12",
      "cmpd_formula": "C7H6O2",
      "cmpd_type": "aromatic oxygenate",
      "cmpd_smiles": "OC(=O)c1ccccc1",
      "cmpd_inchi": "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)",
      "cmpd_inchikey": "WPYMKLBDIGXBTP-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(2E,4E)-2-methylmuconaldehyde",
      "cmpd_mwt": "124.14",
      "cmpd_formula": "C7H8O2",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=C/C=C/C=C(/C=O)\\C",
      "cmpd_inchi": "InChI=1S/C7H8O2/c1-7(6-9)4-2-3-5-8/h2-6H,1H3/b3-2+,7-4+",
      "cmpd_inchikey": "QMSDWRYXWABUMN-AOGGBPEJSA-N",
      "OH_k298": "1.18e-10",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methylpyrocatechol",
      "cmpd_mwt": "124.14",
      "cmpd_formula": "C7H8O2",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Oc1c(C)cccc1O",
      "cmpd_inchi": "InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3",
      "cmpd_inchikey": "PGSWEKYNAOWQDF-UHFFFAOYSA-N",
      "OH_k298": "2e-10",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.8e-17",
      "O3_uncert": "",
      "O3_u_fac": "1.4",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.72e-10",
      "NO3_uncert": "0.33",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methylpyrocatechol",
      "cmpd_mwt": "124.14",
      "cmpd_formula": "C7H8O2",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1ccc(c(c1)O)O",
      "cmpd_inchi": "InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3",
      "cmpd_inchikey": "ZBCATMYQYDCTIZ-UHFFFAOYSA-N",
      "OH_k298": "1.5e-10",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.6e-17",
      "O3_uncert": "",
      "O3_u_fac": "1.4",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.47e-10",
      "NO3_uncert": "0.44",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methoxyphenol",
      "cmpd_mwt": "124.14",
      "cmpd_formula": "C7H8O2",
      "cmpd_type": "aromatic oxygenate",
      "cmpd_smiles": "COc1ccc(cc1)O",
      "cmpd_inchi": "InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3",
      "cmpd_inchikey": "NWVVVBRKAWDGAB-UHFFFAOYSA-N",
      "OH_k298": "5.66e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.37e-10",
      "NO3_uncert": "",
      "NO3_u_fac": "1.6",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.86e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methoxyphenol",
      "cmpd_mwt": "124.14",
      "cmpd_formula": "C7H8O2",
      "cmpd_type": "aromatic oxygenate",
      "cmpd_smiles": "COc1cccc(c1)O",
      "cmpd_inchi": "InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3",
      "cmpd_inchikey": "ASHGTJPOSUFTGB-UHFFFAOYSA-N",
      "OH_k298": "6.93e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.15e-11",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.96e-10",
      "Cl_uncert": "0.23",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "guaiacol",
      "cmpd_mwt": "124.14",
      "cmpd_formula": "C7H8O2",
      "cmpd_type": "aromatic oxygenate",
      "cmpd_smiles": "COc1ccccc1O",
      "cmpd_inchi": "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",
      "cmpd_inchikey": "LHGVFZTZFXWLCP-UHFFFAOYSA-N",
      "OH_k298": "5.4e-11",
      "OH_uncert": "0.13",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.69e-11",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.97e-10",
      "Cl_uncert": "0.22",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chloromethylbenzene",
      "cmpd_mwt": "126.58",
      "cmpd_formula": "C7H7Cl",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClCc1ccccc1",
      "cmpd_inchi": "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2",
      "cmpd_inchikey": "KCXMKQUNVWSEMD-UHFFFAOYSA-N",
      "OH_k298": "2.8e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.71e-12",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-pentenyl acetate",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C7H12O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "C=CCCCOC(=O)C",
      "cmpd_inchi": "InChI=1S/C7H12O2/c1-3-4-5-6-9-7(2)8/h3H,1,4-6H2,2H3",
      "cmpd_inchikey": "LVHDNIMNOMRZMF-UHFFFAOYSA-N",
      "OH_k298": "4.3e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-ethenyl-5-methyl-2-oxolanol",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C7H12O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "CC1(CCC(O1)O)C=C",
      "cmpd_inchi": "InChI=1S/C7H12O2/c1-3-7(2)5-4-6(8)9-7/h3,6,8H,1,4-5H2,2H3",
      "cmpd_inchikey": "BIJAVMAZHUQEJX-UHFFFAOYSA-N",
      "OH_k298": "7.4e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.61e-18",
      "O3_uncert": "0.25",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.7e-14",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-butyl acrylate",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C7H12O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCCCOC(=O)C=C",
      "cmpd_inchi": "InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3",
      "cmpd_inchikey": "CQEYYJKEWSMYFG-UHFFFAOYSA-N",
      "OH_k298": "1.94e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "3.74e-13",
      "OH_B": "-1177",
      "OH_n": "",
      "OH_t_low": "287",
      "OH_t_high": "313",
      "O3_k298": "2.4e-17",
      "O3_uncert": "0.42",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.9e-16",
      "NO3_uncert": "0.42",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.72e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropyl isobutyrate",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CC(OC(=O)C(C)C)C",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3",
      "cmpd_inchikey": "WVRPFQGZHKZCEB-UHFFFAOYSA-N",
      "OH_k298": "6.44e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.07e-12",
      "OH_B": "-534",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.1e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "6-hydroxy-3-heptanone",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CCC(=O)CCC(O)C",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-3-7(9)5-4-6(2)8/h6,8H,3-5H2,1-2H3",
      "cmpd_inchikey": "DWMNUVZLRBCGOL-UHFFFAOYSA-N",
      "OH_k298": "1.6e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-hydroxy-2-heptanone",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CCC(CCC(=O)C)O",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-3-7(9)5-4-6(2)8/h7,9H,3-5H2,1-2H3",
      "cmpd_inchikey": "MQRALIJAASQPNT-UHFFFAOYSA-N",
      "OH_k298": "1.9e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-hydroxy-4-heptanone",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CCCC(=O)CCCO",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-2-4-7(9)5-3-6-8/h8H,2-6H2,1H3",
      "cmpd_inchikey": "FLOWMWBDUFPEFN-UHFFFAOYSA-N",
      "OH_k298": "1e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl n-hexanoate",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCCCC(=O)OC",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3",
      "cmpd_inchikey": "NUKZAGXMHTUAFE-UHFFFAOYSA-N",
      "OH_k298": "7.36e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3e-13",
      "OH_B": "-958",
      "OH_n": "2",
      "OH_t_low": "273",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.4e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-pentyl acetate",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCCCOC(=O)C",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3",
      "cmpd_inchikey": "PGMYKACGEOXYJE-UHFFFAOYSA-N",
      "OH_k298": "7.39e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3.34e-13",
      "OH_B": "-927",
      "OH_n": "2",
      "OH_t_low": "273",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.79e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-butyl propanoate",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCCOC(=O)CC",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3",
      "cmpd_inchikey": "BTMVHUNTONAYDX-UHFFFAOYSA-N",
      "OH_k298": "6e-12",
      "OH_uncert": "0.27",
      "OH_u_fac": "",
      "OH_A": "2.98e-12",
      "OH_B": "-209",
      "OH_n": "",
      "OH_t_low": "273",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.6e-10",
      "Cl_uncert": "0.4",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-propyl n-butanoate",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCOC(=O)CCC",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3",
      "cmpd_inchikey": "HUAZGNHGCJGYNP-UHFFFAOYSA-N",
      "OH_k298": "6e-12",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "di-isopropoxymethane",
      "cmpd_mwt": "132.2",
      "cmpd_formula": "C7H16O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC(OCOC(C)C)C",
      "cmpd_inchi": "InChI=1S/C7H16O2/c1-6(2)8-5-9-7(3)4/h6-7H,5H2,1-4H3",
      "cmpd_inchikey": "WDEVXRIFJZNMKM-UHFFFAOYSA-N",
      "OH_k298": "3.8e-11",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "4.4e-12",
      "OH_B": "-646",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-butoxy-2-propanol",
      "cmpd_mwt": "132.2",
      "cmpd_formula": "C7H16O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "CCCCOCC(O)C",
      "cmpd_inchi": "InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3",
      "cmpd_inchikey": "RWNUSVWFHDHRCJ-UHFFFAOYSA-N",
      "OH_k298": "3.8e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "di-n-propoxymethane",
      "cmpd_mwt": "132.2",
      "cmpd_formula": "C7H16O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCCOCOCCC",
      "cmpd_inchi": "InChI=1S/C7H16O2/c1-3-5-8-7-9-6-4-2/h3-7H2,1-2H3",
      "cmpd_inchikey": "HOMDJHGZAAKUQV-UHFFFAOYSA-N",
      "OH_k298": "2.7e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "4.3e-12",
      "OH_B": "-546",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-diethoxypropane",
      "cmpd_mwt": "132.2",
      "cmpd_formula": "C7H16O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCOC(OCC)(C)C",
      "cmpd_inchi": "InChI=1S/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3",
      "cmpd_inchikey": "FGQLGYBGTRHODR-UHFFFAOYSA-N",
      "OH_k298": "1.11e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.06e-11",
      "OH_B": "-15",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "440",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "m-nitrotoluene",
      "cmpd_mwt": "137.14",
      "cmpd_formula": "C7H7NO2",
      "cmpd_type": "nitrophenol",
      "cmpd_smiles": "Cc1cccc(c1)[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3",
      "cmpd_inchikey": "QZYHIOPPLUPUJF-UHFFFAOYSA-N",
      "OH_k298": "1.2e-12",
      "OH_uncert": "",
      "OH_u_fac": "3",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl 3-ethoxypropanoate",
      "cmpd_mwt": "146.18",
      "cmpd_formula": "C7H14O3",
      "cmpd_type": "alcohol or glycol ether ester",
      "cmpd_smiles": "CCOCCC(=O)OCC",
      "cmpd_inchi": "InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3",
      "cmpd_inchikey": "BHXIWUJLHYHGSJ-UHFFFAOYSA-N",
      "OH_k298": "2.2e-11",
      "OH_uncert": "0.32",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-2-nitrophenol",
      "cmpd_mwt": "153.14",
      "cmpd_formula": "C7H7NO3",
      "cmpd_type": "nitrophenol",
      "cmpd_smiles": "[O-][N+](=O)c1c(C)cccc1O",
      "cmpd_inchi": "InChI=1S/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3",
      "cmpd_inchikey": "QIORDSKCCHRSSD-UHFFFAOYSA-N",
      "OH_k298": "3.7e-12",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-10",
      "Cl_uncert": "0.35",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-6-nitrophenol",
      "cmpd_mwt": "153.14",
      "cmpd_formula": "C7H7NO3",
      "cmpd_type": "nitrophenol",
      "cmpd_smiles": "[O-][N+](=O)c1cccc(c1O)C",
      "cmpd_inchi": "InChI=1S/C7H7NO3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3",
      "cmpd_inchikey": "AQDKZPFDOWHRDZ-UHFFFAOYSA-N",
      "OH_k298": "2.8e-12",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.68e-11",
      "Cl_uncert": "0.28",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-methyl-2-nitrophenol",
      "cmpd_mwt": "153.14",
      "cmpd_formula": "C7H7NO3",
      "cmpd_type": "nitrophenol",
      "cmpd_smiles": "Cc1ccc(c(c1)O)[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C7H7NO3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3",
      "cmpd_inchikey": "NQXUSSVLFOBRSE-UHFFFAOYSA-N",
      "OH_k298": "6.7e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.94e-11",
      "Cl_uncert": "0.35",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methyl-2-nitrophenol",
      "cmpd_mwt": "153.14",
      "cmpd_formula": "C7H7NO3",
      "cmpd_type": "nitrophenol",
      "cmpd_smiles": "Cc1ccc(c(c1)[N+](=O)[O-])O",
      "cmpd_inchi": "InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3",
      "cmpd_inchikey": "SYDNSSSQVSOXTN-UHFFFAOYSA-N",
      "OH_k298": "3.6e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.3e-11",
      "Cl_uncert": "0.35",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethyl glutarate",
      "cmpd_mwt": "160.17",
      "cmpd_formula": "C7H12O4",
      "cmpd_type": "ester",
      "cmpd_smiles": "COC(=O)CCCC(=O)OC",
      "cmpd_inchi": "InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3",
      "cmpd_inchikey": "XTDYIOOONNVFMA-UHFFFAOYSA-N",
      "OH_k298": "2.24e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.9e-11",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-heptyl nitrate",
      "cmpd_mwt": "161.2",
      "cmpd_formula": "C7H15NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CCCCC(O[N+](=O)[O-])CC",
      "cmpd_inchi": "InChI=1S/C7H15NO3/c1-3-5-6-7(4-2)11-8(9)10/h7H,3-6H2,1-2H3",
      "cmpd_inchikey": "RFSNRWONUSBTJN-UHFFFAOYSA-N",
      "OH_k298": "3.42e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1-methyl-1,2-dinitrooxycyclohexane",
      "cmpd_mwt": "220.18",
      "cmpd_formula": "C7H12N2O6",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC1CCCCC1(C)O[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C7H12N2O6/c1-7(15-9(12)13)5-3-2-4-6(7)14-8(10)11/h6H,2-5H2,1H3",
      "cmpd_inchikey": "QYHDWWMPRXXYIB-UHFFFAOYSA-N",
      "OH_k298": "1.66e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.6",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-heptanol",
      "cmpd_mwt": "350.08",
      "cmpd_formula": "C7H3OF13",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C7H3F13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h21H,1H2",
      "cmpd_inchikey": "STLNAVFVCIRZLL-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.3e-13",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "styrene",
      "cmpd_mwt": "104.15",
      "cmpd_formula": "C8H8",
      "cmpd_type": "aromatic hydrocarbon with extra double or triple bonds",
      "cmpd_smiles": "C=Cc1ccccc1",
      "cmpd_inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2",
      "cmpd_inchikey": "PPBRXRYQALVLMV-UHFFFAOYSA-N",
      "OH_k298": "5.8e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "9.8e-12",
      "OH_B": "-530",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "340",
      "O3_k298": "1.6e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.5e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.57e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclooctatetraene",
      "cmpd_mwt": "104.15",
      "cmpd_formula": "C8H8",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "C1=CC=CC=CC=C1",
      "cmpd_inchi": "InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-",
      "cmpd_inchikey": "KDUIUFJBNGTBMD-DLMDZQPMSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.6e-18",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "o-xylene",
      "cmpd_mwt": "106.17",
      "cmpd_formula": "C8H10",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1ccccc1C",
      "cmpd_inchi": "InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",
      "cmpd_inchikey": "CTQNGGLPUBDAKN-UHFFFAOYSA-N",
      "OH_k298": "1.36e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.36e-11",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "296",
      "OH_t_high": "320",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.9e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.45e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "m-xylene",
      "cmpd_mwt": "106.17",
      "cmpd_formula": "C8H10",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1cccc(c1)C",
      "cmpd_inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",
      "cmpd_inchikey": "IVSZLXZYQVIEFR-UHFFFAOYSA-N",
      "OH_k298": "2.31e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.31e-11",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "315",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.3e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.32e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "p-xylene",
      "cmpd_mwt": "106.17",
      "cmpd_formula": "C8H10",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1ccc(cc1)C",
      "cmpd_inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",
      "cmpd_inchikey": "URLKBWYHVLBVBO-UHFFFAOYSA-N",
      "OH_k298": "1.21e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.14e-12",
      "OH_B": "-319",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "352",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.6e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.44e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethylbenzene",
      "cmpd_mwt": "106.17",
      "cmpd_formula": "C8H10",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "CCc1ccccc1",
      "cmpd_inchi": "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",
      "cmpd_inchikey": "YNQLUTRBYVCPMQ-UHFFFAOYSA-N",
      "OH_k298": "7e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.29e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-vinylcyclohexene",
      "cmpd_mwt": "108.18",
      "cmpd_formula": "C8H12",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "C=CC1CCC=CC1",
      "cmpd_inchi": "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2",
      "cmpd_inchikey": "BBDKZWKEPDTENS-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.7e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,5-cyclooctadiene",
      "cmpd_mwt": "108.18",
      "cmpd_formula": "C8H12",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "C1CC=CCCC=C1",
      "cmpd_inchi": "InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-",
      "cmpd_inchikey": "VYXHVRARDIDEHS-QGTKBVGQSA-N",
      "OH_k298": "1.08e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.48e-16",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.16e-10",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bicyclo[2.2.2]-2-octene",
      "cmpd_mwt": "108.18",
      "cmpd_formula": "C8H12",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C1CC2CCC1C=C2",
      "cmpd_inchi": "InChI=1S/C8H12/c1-2-8-5-3-7(1)4-6-8/h1-2,7-8H,3-6H2",
      "cmpd_inchikey": "VIQRCOQXIHFJND-UHFFFAOYSA-N",
      "OH_k298": "4.1e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "7.1e-17",
      "O3_uncert": "0.35",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.45e-13",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z,Z)-1,3-cyclooctadiene",
      "cmpd_mwt": "108.18",
      "cmpd_formula": "C8H12",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "C1CCC=CC=CC1",
      "cmpd_inchi": "InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-",
      "cmpd_inchikey": "RRKODOZNUZCUBN-CCAGOZQPSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2e-17",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylenecycloheptane",
      "cmpd_mwt": "110.2",
      "cmpd_formula": "C8H14",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C=C1CCCCCC1",
      "cmpd_inchi": "InChI=1S/C8H14/c1-8-6-4-2-3-5-7-8/h1-7H2",
      "cmpd_inchikey": "XJYOAWSHIQNEGC-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bicyclo[2.2.2]octane",
      "cmpd_mwt": "110.2",
      "cmpd_formula": "C8H14",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CC2CCC1CC2",
      "cmpd_inchi": "InChI=1S/C8H14/c1-2-8-5-3-7(1)4-6-8/h7-8H,1-6H2",
      "cmpd_inchikey": "GPRLTFBKWDERLU-UHFFFAOYSA-N",
      "OH_k298": "1.37e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bicyclo[3.3.0]octane",
      "cmpd_mwt": "110.2",
      "cmpd_formula": "C8H14",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CC2C(C1)CCC2",
      "cmpd_inchi": "InChI=1S/C8H14/c1-3-7-5-2-6-8(7)4-1/h7-8H,1-6H2",
      "cmpd_inchikey": "AEBWATHAIVJLTA-UHFFFAOYSA-N",
      "OH_k298": "1.03e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclooctene",
      "cmpd_mwt": "110.2",
      "cmpd_formula": "C8H14",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C1CCCC=CCC1",
      "cmpd_inchi": "InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-",
      "cmpd_inchikey": "URYYVOIYTNXXBN-UPHRSURJSA-N",
      "OH_k298": "5.04e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.07e-16",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "8.46e-16",
      "O3_B": "218.000000000028",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "331",
      "NO3_k298": "5.1e-13",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.8e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,5-dimethyl-1,5-hexadiene",
      "cmpd_mwt": "110.2",
      "cmpd_formula": "C8H14",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "CC(=C)CCC(=C)C",
      "cmpd_inchi": "InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4H3",
      "cmpd_inchikey": "DSAYAFZWRDYBQY-UHFFFAOYSA-N",
      "OH_k298": "1.2e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.42e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z/E)-5,5-dimethylhexa-1,3-diene",
      "cmpd_mwt": "110.2",
      "cmpd_formula": "C8H14",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "C=CC=CC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C8H14/c1-5-6-7-8(2,3)4/h5-7H,1H2,2-4H3",
      "cmpd_inchikey": "YKCQGTKPNABNLF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.5e-17",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,5-dimethyl-2,4-hexadiene",
      "cmpd_mwt": "110.2",
      "cmpd_formula": "C8H14",
      "cmpd_type": "acyclic conjugated dialkene",
      "cmpd_smiles": "CC(=CC=C(C)C)C",
      "cmpd_inchi": "InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3",
      "cmpd_inchikey": "DZPCYXCBXGQBRN-UHFFFAOYSA-N",
      "OH_k298": "2.1e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.06e-15",
      "O3_uncert": "0.29",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dimethylcyclohexene",
      "cmpd_mwt": "110.2",
      "cmpd_formula": "C8H14",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1=C(C)CCCC1",
      "cmpd_inchi": "InChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h3-6H2,1-2H3",
      "cmpd_inchikey": "TXNWMICHNKMOBR-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.07e-16",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.1e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methylcycloheptene",
      "cmpd_mwt": "110.2",
      "cmpd_formula": "C8H14",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1=CCCCCC1",
      "cmpd_inchi": "InChI=1S/C8H14/c1-8-6-4-2-3-5-7-8/h6H,2-5,7H2,1H3",
      "cmpd_inchikey": "MREBNFRVGNTYOV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "9.3e-16",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,6-dimethylcyclohexene",
      "cmpd_mwt": "110.2",
      "cmpd_formula": "C8H14",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1=CCCCC1C",
      "cmpd_inchi": "InChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h5,8H,3-4,6H2,1-2H3",
      "cmpd_inchikey": "AXKAIBQIFBAAMK-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.5e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclooctane",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CCCCCCC1",
      "cmpd_inchi": "InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2",
      "cmpd_inchikey": "WJTCGQSWYFHTAC-UHFFFAOYSA-N",
      "OH_k298": "1.39e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "3.33e-11",
      "OH_B": "261",
      "OH_n": "",
      "OH_t_low": "237",
      "OH_t_high": "390",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.53e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4,4-trimethyl-1-pentene",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CC(=C)CC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3",
      "cmpd_inchikey": "FXNDIJDIPNCZQJ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.49e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "7.25e-15",
      "O3_B": "1844",
      "O3_n": "",
      "O3_t_low": "218",
      "O3_t_high": "292",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4,4-trimethyl-2-pentene",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CC(=CC(C)(C)C)C",
      "cmpd_inchi": "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3",
      "cmpd_inchikey": "LAAVYEUJEMRIGF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.32e-16",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4-dimethyl-3-methylenepentane",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CC(C(=C)C(C)C)C",
      "cmpd_inchi": "InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6-7H,5H2,1-4H3",
      "cmpd_inchikey": "GIBPFTYFAOOKOV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3e-18",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z/E)-3,4-dimethyl-3-hexene",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCC(=C(CC)C)C",
      "cmpd_inchi": "InChI=1S/C8H16/c1-5-7(3)8(4)6-2/h5-6H2,1-4H3",
      "cmpd_inchikey": "XTUXVDJHGIEBAA-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.7e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-4-octene",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCC/C=C\\CCC",
      "cmpd_inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7-",
      "cmpd_inchikey": "IRUCBBFNLDIMIK-FPLPWBNLSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "9e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-4-octene",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCC/C=C/CCC",
      "cmpd_inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+",
      "cmpd_inchikey": "IRUCBBFNLDIMIK-BQYQJAHWSA-N",
      "OH_k298": "6.9e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.31e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-octene",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCCCC/C=C/C",
      "cmpd_inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+",
      "cmpd_inchikey": "ILPBINAXDRFYPL-HWKANZROSA-N",
      "OH_k298": "7.23e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-heptene",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCC(=C)C",
      "cmpd_inchi": "InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h2,4-7H2,1,3H3",
      "cmpd_inchikey": "RCBGGJURENJHKV-UHFFFAOYSA-N",
      "OH_k298": "6.71e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.35e-17",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-octene",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCC=C",
      "cmpd_inchi": "InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3",
      "cmpd_inchikey": "KWKAKUADMBZCLK-UHFFFAOYSA-N",
      "OH_k298": "3.44e-11",
      "OH_uncert": "0.24",
      "OH_u_fac": "",
      "OH_A": "7.01e-13",
      "OH_B": "-1160",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "309",
      "O3_k298": "1.01e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.5e-14",
      "NO3_uncert": "0.32",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.5e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3-tetramethylbutane",
      "cmpd_mwt": "114.23",
      "cmpd_formula": "C8H18",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CC(C(C)(C)C)(C)C",
      "cmpd_inchi": "InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3",
      "cmpd_inchikey": "OMMLUKLXGSRPHK-UHFFFAOYSA-N",
      "OH_k298": "9.7e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.79e-12",
      "OH_B": "173",
      "OH_n": "2",
      "OH_t_low": "290",
      "OH_t_high": "1180",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.69e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3,4-trimethylpentane",
      "cmpd_mwt": "114.23",
      "cmpd_formula": "C8H18",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CC(C(C)C)C(C)C",
      "cmpd_inchi": "InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3",
      "cmpd_inchikey": "RLPGDEORIPLBNF-UHFFFAOYSA-N",
      "OH_k298": "6.6e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,4-trimethylpentane",
      "cmpd_mwt": "114.23",
      "cmpd_formula": "C8H18",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CC(CC(C)(C)C)C",
      "cmpd_inchi": "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3",
      "cmpd_inchikey": "NHTMVDHEPJAVLT-UHFFFAOYSA-N",
      "OH_k298": "3.34e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "7.5e-17",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.5e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-octane",
      "cmpd_mwt": "114.23",
      "cmpd_formula": "C8H18",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCCCCCC",
      "cmpd_inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3",
      "cmpd_inchikey": "TVMXDCGIABBOFY-UHFFFAOYSA-N",
      "OH_k298": "8.48e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.49e-12",
      "OH_B": "-369",
      "OH_n": "1.99",
      "OH_t_low": "240",
      "OH_t_high": "1080",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.9e-16",
      "NO3_uncert": "0.26",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.4e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "benzofuran",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C8H6O",
      "cmpd_type": "mixed oxygenate",
      "cmpd_smiles": "c1ccc2c(c1)occ2",
      "cmpd_inchi": "InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H",
      "cmpd_inchikey": "IANQTJSKSUMEQM-UHFFFAOYSA-N",
      "OH_k298": "4.1e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.8e-18",
      "O3_uncert": "0.33",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "coumaran",
      "cmpd_mwt": "120.15",
      "cmpd_formula": "C8H8O",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "c1ccc2c(c1)OCC2",
      "cmpd_inchi": "InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2",
      "cmpd_inchikey": "HBEDSQVIWPRPAY-UHFFFAOYSA-N",
      "OH_k298": "4e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.1e-13",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "o-tolualdehyde",
      "cmpd_mwt": "120.15",
      "cmpd_formula": "C8H8O",
      "cmpd_type": "aromatic aldehyde",
      "cmpd_smiles": "O=Cc1ccccc1C",
      "cmpd_inchi": "InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3",
      "cmpd_inchikey": "BTFQKIATRPGRBS-UHFFFAOYSA-N",
      "OH_k298": "1.89e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.41e-15",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.86e-10",
      "Cl_uncert": "0.27",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "m-tolualdehyde",
      "cmpd_mwt": "120.15",
      "cmpd_formula": "C8H8O",
      "cmpd_type": "aromatic aldehyde",
      "cmpd_smiles": "O=Cc1cccc(c1)C",
      "cmpd_inchi": "InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3",
      "cmpd_inchikey": "OVWYEQOVUDKZNU-UHFFFAOYSA-N",
      "OH_k298": "1.68e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.15e-15",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.71e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "p-tolualdehyde",
      "cmpd_mwt": "120.15",
      "cmpd_formula": "C8H8O",
      "cmpd_type": "aromatic aldehyde",
      "cmpd_smiles": "O=Cc1ccc(cc1)C",
      "cmpd_inchi": "InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",
      "cmpd_inchikey": "FXLOVSHXALFLKQ-UHFFFAOYSA-N",
      "OH_k298": "1.68e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.18e-15",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.41e-10",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-xylenol",
      "cmpd_mwt": "122.16",
      "cmpd_formula": "C8H10O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1c(C)cccc1O",
      "cmpd_inchi": "InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3",
      "cmpd_inchikey": "QWBBPBRQALCEIZ-UHFFFAOYSA-N",
      "OH_k298": "8.2e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.97e-11",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4-xylenol",
      "cmpd_mwt": "122.16",
      "cmpd_formula": "C8H10O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Oc1ccc(c(c1)C)C",
      "cmpd_inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3",
      "cmpd_inchikey": "YCOXTKKNXUZSKD-UHFFFAOYSA-N",
      "OH_k298": "8.3e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.55e-11",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,6-xylenol",
      "cmpd_mwt": "122.16",
      "cmpd_formula": "C8H10O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1cccc(c1O)C",
      "cmpd_inchi": "InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3",
      "cmpd_inchikey": "NXXYKOUNUYWIHA-UHFFFAOYSA-N",
      "OH_k298": "6.7e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.01e-11",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,5-xylenol",
      "cmpd_mwt": "122.16",
      "cmpd_formula": "C8H10O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1ccc(c(c1)O)C",
      "cmpd_inchi": "InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3",
      "cmpd_inchikey": "NKTOLZVEWDHZMU-UHFFFAOYSA-N",
      "OH_k298": "8.5e-11",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.07e-11",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4-xylenol",
      "cmpd_mwt": "122.16",
      "cmpd_formula": "C8H10O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1ccc(c(c1)C)O",
      "cmpd_inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3",
      "cmpd_inchikey": "KUFFULVDNCHOFZ-UHFFFAOYSA-N",
      "OH_k298": "7.3e-11",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.12e-11",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,5-xylenol",
      "cmpd_mwt": "122.16",
      "cmpd_formula": "C8H10O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1cc(C)cc(c1)O",
      "cmpd_inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3",
      "cmpd_inchikey": "TUAMRELNJMMDMT-UHFFFAOYSA-N",
      "OH_k298": "1.14e-10",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.13e-11",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methoxytoluene",
      "cmpd_mwt": "122.16",
      "cmpd_formula": "C8H10O",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "COc1ccc(cc1)C",
      "cmpd_inchi": "InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3",
      "cmpd_inchikey": "CHLICZRVGGXEOD-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3(e)4-methylhex-3,5-dienal",
      "cmpd_mwt": "124.18",
      "cmpd_formula": "C8H12O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=CC/C(=C(/C=C)\\C)/C",
      "cmpd_inchi": "InChI=1S/C8H12O/c1-4-7(2)8(3)5-6-9/h4,6H,1,5H2,2-3H3/b8-7+",
      "cmpd_inchikey": "QNDNXDZOQLSVNR-BQYQJAHWSA-N",
      "OH_k298": "2.52e-10",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.8e-12",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3(z)4-methylhex-3,5-dienal",
      "cmpd_mwt": "124.18",
      "cmpd_formula": "C8H12O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=CC/C(=C(\\C=C)/C)/C",
      "cmpd_inchi": "InChI=1S/C8H12O/c1-4-7(2)8(3)5-6-9/h4,6H,1,5H2,2-3H3/b8-7-",
      "cmpd_inchikey": "QNDNXDZOQLSVNR-FPLPWBNLSA-N",
      "OH_k298": "1.61e-10",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.2e-12",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tetramethylfuran",
      "cmpd_mwt": "124.18",
      "cmpd_formula": "C8H12O",
      "cmpd_type": "furan",
      "cmpd_smiles": "Cc1oc(c(c1C)C)C",
      "cmpd_inchi": "InChI=1S/C8H12O/c1-5-6(2)8(4)9-7(5)3/h1-4H3",
      "cmpd_inchikey": "OMFSJRHPFYVJSP-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.18e-10",
      "NO3_uncert": "",
      "NO3_u_fac": "1.7",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "6-methyl-5-hepten-2-one",
      "cmpd_mwt": "126.2",
      "cmpd_formula": "C8H14O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC(=O)CCC=C(C)C",
      "cmpd_inchi": "InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3",
      "cmpd_inchikey": "UHEPJGULSIKKTP-UHFFFAOYSA-N",
      "OH_k298": "1.57e-10",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.93e-16",
      "O3_uncert": "0.25",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "7.5e-12",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,5-dimethyl-1-hexyne-3-ol",
      "cmpd_mwt": "126.2",
      "cmpd_formula": "C8H14O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC(CC(C#C)(O)C)C",
      "cmpd_inchi": "InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3",
      "cmpd_inchikey": "NECRQCBKTGZNMH-UHFFFAOYSA-N",
      "OH_k298": "2.9e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-octenal",
      "cmpd_mwt": "126.2",
      "cmpd_formula": "C8H14O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "CCCCC/C=C/C=O",
      "cmpd_inchi": "InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+",
      "cmpd_inchikey": "LVBXEMGDVWVTGY-VOTSOKGWSA-N",
      "OH_k298": "3.96e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.37e-18",
      "O3_uncert": "0.29",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6e-15",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "6-methyl-5-hepten-2-ol",
      "cmpd_mwt": "128.21",
      "cmpd_formula": "C8H16O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC(CCC=C(C)C)O",
      "cmpd_inchi": "InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3",
      "cmpd_inchikey": "OHEFFKYYKJVVOX-UHFFFAOYSA-N",
      "OH_k298": "1e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.8e-16",
      "O3_uncert": "0.32",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-octanone",
      "cmpd_mwt": "128.21",
      "cmpd_formula": "C8H16O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CCCCCCC(=O)C",
      "cmpd_inchi": "InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3",
      "cmpd_inchikey": "ZPVFWPFBNIEHGJ-UHFFFAOYSA-N",
      "OH_k298": "1.1e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "octanal",
      "cmpd_mwt": "128.21",
      "cmpd_formula": "C8H16O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CCCCCCCC=O",
      "cmpd_inchi": "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3",
      "cmpd_inchikey": "NUJGJRNETVAIRJ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.8e-14",
      "NO3_uncert": "0.28",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "di-tert-butyl ether",
      "cmpd_mwt": "130.23",
      "cmpd_formula": "C8H18O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC(OC(C)(C)C)(C)C",
      "cmpd_inchi": "InChI=1S/C8H18O/c1-7(2,3)9-8(4,5)6/h1-6H3",
      "cmpd_inchikey": "AQEFLFZSWDEAIP-UHFFFAOYSA-N",
      "OH_k298": "3.7e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.9e-16",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-10",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "di-isobutyl ether",
      "cmpd_mwt": "130.23",
      "cmpd_formula": "C8H18O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC(COCC(C)C)C",
      "cmpd_inchi": "InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3",
      "cmpd_inchikey": "SZNYYWIUQFZLLT-UHFFFAOYSA-N",
      "OH_k298": "2.6e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,5-dimethyl-3-hexanol",
      "cmpd_mwt": "130.23",
      "cmpd_formula": "C8H18O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCC(CC(C)C)(O)C",
      "cmpd_inchi": "InChI=1S/C8H18O/c1-5-8(4,9)6-7(2)3/h7,9H,5-6H2,1-4H3",
      "cmpd_inchikey": "INMGJWCKWKKMPN-UHFFFAOYSA-N",
      "OH_k298": "1.3e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-octanol",
      "cmpd_mwt": "130.23",
      "cmpd_formula": "C8H18O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCCCCCCO",
      "cmpd_inchi": "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3",
      "cmpd_inchikey": "KBPLFHHGFOOTCA-UHFFFAOYSA-N",
      "OH_k298": "1.3e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.2e-10",
      "Cl_uncert": "0.31",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "di-n-butyl ether",
      "cmpd_mwt": "130.23",
      "cmpd_formula": "C8H18O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCCCOCCCC",
      "cmpd_inchi": "InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3",
      "cmpd_inchikey": "DURPTKYDGMDSBL-UHFFFAOYSA-N",
      "OH_k298": "2.75e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "9.5e-14",
      "OH_B": "-1697",
      "OH_n": "3.82",
      "OH_t_low": "230",
      "OH_t_high": "1288",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.7e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "phthalaldehyde",
      "cmpd_mwt": "134.13",
      "cmpd_formula": "C8H6O2",
      "cmpd_type": "aromatic aldehyde",
      "cmpd_smiles": "O=Cc1ccccc1C=O",
      "cmpd_inchi": "InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H",
      "cmpd_inchikey": "ZWLUXSQADUDCSB-UHFFFAOYSA-N",
      "OH_k298": "2.3e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-benzodioxan",
      "cmpd_mwt": "136.15",
      "cmpd_formula": "C8H8O2",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "C1COc2c(O1)cccc2",
      "cmpd_inchi": "InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2",
      "cmpd_inchikey": "BNBQRQQYDMDJAH-UHFFFAOYSA-N",
      "OH_k298": "2.8e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6e-16",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dimethoxybenzene",
      "cmpd_mwt": "138.16",
      "cmpd_formula": "C8H10O2",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "COc1ccccc1OC",
      "cmpd_inchi": "InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3",
      "cmpd_inchikey": "ABDKAPXRBAPSQN-UHFFFAOYSA-N",
      "OH_k298": "3.6e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.15e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3-dimethoxybenzene",
      "cmpd_mwt": "138.16",
      "cmpd_formula": "C8H10O2",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "COc1cccc(c1)OC",
      "cmpd_inchi": "InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3",
      "cmpd_inchikey": "DPZNOMCNRMUKPS-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.2e-14",
      "NO3_uncert": "0.45",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methoxy-4-methylphenol",
      "cmpd_mwt": "138.16",
      "cmpd_formula": "C8H10O2",
      "cmpd_type": "aromatic oxygenate",
      "cmpd_smiles": "COc1cc(C)ccc1O",
      "cmpd_inchi": "InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3",
      "cmpd_inchikey": "PETRWTHZSKVLRE-UHFFFAOYSA-N",
      "OH_k298": "7.51e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8.4e-11",
      "NO3_uncert": "",
      "NO3_u_fac": "1.7",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.35e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-dimethoxybenzene",
      "cmpd_mwt": "138.16",
      "cmpd_formula": "C8H10O2",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "COc1ccc(cc1)OC",
      "cmpd_inchi": "InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3",
      "cmpd_inchikey": "OHBQPCCCRFSCAX-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-3-hexenyl acetate",
      "cmpd_mwt": "142.2",
      "cmpd_formula": "C8H14O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CC/C=C\\CCOC(=O)C",
      "cmpd_inchi": "InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-",
      "cmpd_inchikey": "NPFVOOAXDOBMCE-PLNGDYQASA-N",
      "OH_k298": "7.74e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.84e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.46e-13",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-butyl methacrylate",
      "cmpd_mwt": "142.2",
      "cmpd_formula": "C8H14O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCCCOC(=O)C(=C)C",
      "cmpd_inchi": "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3",
      "cmpd_inchikey": "SOGAXMICEFXMKE-UHFFFAOYSA-N",
      "OH_k298": "6.58e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.44e-12",
      "OH_B": "-982",
      "OH_n": "",
      "OH_t_low": "255",
      "OH_t_high": "351",
      "O3_k298": "1e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.71e-15",
      "NO3_uncert": "0.2",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.7e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "6-hydroxy-3-octanone",
      "cmpd_mwt": "144.21",
      "cmpd_formula": "C8H16O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CCC(CCC(=O)CC)O",
      "cmpd_inchi": "InChI=1S/C8H16O2/c1-3-7(9)5-6-8(10)4-2/h7,9H,3-6H2,1-2H3",
      "cmpd_inchikey": "VJDZJBNTVLGPEM-UHFFFAOYSA-N",
      "OH_k298": "1.5e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "7-hydroxy-4-octanone",
      "cmpd_mwt": "144.21",
      "cmpd_formula": "C8H16O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CCCC(=O)CCC(O)C",
      "cmpd_inchi": "InChI=1S/C8H16O2/c1-3-4-8(10)6-5-7(2)9/h7,9H,3-6H2,1-2H3",
      "cmpd_inchikey": "ZZKXYXAYFLYHFF-UHFFFAOYSA-N",
      "OH_k298": "1.9e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-hydroxy-2-octanone",
      "cmpd_mwt": "144.21",
      "cmpd_formula": "C8H16O2",
      "cmpd_type": "alcohol ketone",
      "cmpd_smiles": "CCCC(CCC(=O)C)O",
      "cmpd_inchi": "InChI=1S/C8H16O2/c1-3-4-8(10)6-5-7(2)9/h8,10H,3-6H2,1-2H3",
      "cmpd_inchikey": "KZPPEBIAPHLFQD-UHFFFAOYSA-N",
      "OH_k298": "2.3e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-butyl n-butanoate",
      "cmpd_mwt": "144.21",
      "cmpd_formula": "C8H16O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCCOC(=O)CCC",
      "cmpd_inchi": "InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3",
      "cmpd_inchikey": "XUPYJHCZDLZNFP-UHFFFAOYSA-N",
      "OH_k298": "8.74e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "5.35e-12",
      "OH_B": "-180",
      "OH_n": "",
      "OH_t_low": "273",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.7e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl salicylate",
      "cmpd_mwt": "152.15",
      "cmpd_formula": "C8H8O3",
      "cmpd_type": "aromatic oxygenate",
      "cmpd_smiles": "COC(=O)c1ccccc1O",
      "cmpd_inchi": "InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",
      "cmpd_inchikey": "OSWPMRLSEDHDFF-UHFFFAOYSA-N",
      "OH_k298": "3.2e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.33e-19",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.19e-15",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.65e-12",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,6-dimethoxyphenol",
      "cmpd_mwt": "154.16",
      "cmpd_formula": "C8H10O3",
      "cmpd_type": "aromatic oxygenate",
      "cmpd_smiles": "COc1cccc(c1O)OC",
      "cmpd_inchi": "InChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3",
      "cmpd_inchikey": "KLIDCXVFHGNTTM-UHFFFAOYSA-N",
      "OH_k298": "8.1e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.58e-10",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.71e-10",
      "Cl_uncert": "0.23",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diethylene glycol divinyl ether",
      "cmpd_mwt": "158.19",
      "cmpd_formula": "C8H14O3",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "C=COCCOCCOC=C",
      "cmpd_inchi": "InChI=1S/C8H14O3/c1-3-9-5-7-11-8-6-10-4-2/h3-4H,1-2,5-8H2",
      "cmpd_inchikey": "SAMJGBVVQUEMGC-UHFFFAOYSA-N",
      "OH_k298": "1.44e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.7e-16",
      "O3_uncert": "0.41",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.14e-12",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethoxyethyl 2-methylpropanoate",
      "cmpd_mwt": "160.21",
      "cmpd_formula": "C8H16O3",
      "cmpd_type": "alcohol or glycol ether ester",
      "cmpd_smiles": "CCOCCOC(=O)C(C)C",
      "cmpd_inchi": "InChI=1S/C8H16O3/c1-4-10-5-6-11-8(9)7(2)3/h7H,4-6H2,1-3H3",
      "cmpd_inchikey": "ANSOCBLHUNAGRK-UHFFFAOYSA-N",
      "OH_k298": "1.48e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-(2-butoxyethoxy)ethanol",
      "cmpd_mwt": "162.23",
      "cmpd_formula": "C8H18O3",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "CCCCOCCOCCO",
      "cmpd_inchi": "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3",
      "cmpd_inchikey": "OAYXUHPQHDHDDZ-UHFFFAOYSA-N",
      "OH_k298": "7.44e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethyl adipate",
      "cmpd_mwt": "174.19",
      "cmpd_formula": "C8H14O4",
      "cmpd_type": "ester",
      "cmpd_smiles": "COC(=O)CCCCC(=O)OC",
      "cmpd_inchi": "InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3",
      "cmpd_inchikey": "UDSFAEKRVUSQDD-UHFFFAOYSA-N",
      "OH_k298": "3.65e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.08e-11",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-octyl nitrate",
      "cmpd_mwt": "175.23",
      "cmpd_formula": "C8H17NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "CCCCCC(O[N+](=O)[O-])CC",
      "cmpd_inchi": "InChI=1S/C8H17NO3/c1-3-5-6-7-8(4-2)12-9(10)11/h8H,3-7H2,1-2H3",
      "cmpd_inchikey": "KDICWCURMCOQTP-UHFFFAOYSA-N",
      "OH_k298": "3.6e-12",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octanol",
      "cmpd_mwt": "364.1",
      "cmpd_formula": "C8H5OF13",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C8H5F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2",
      "cmpd_inchikey": "GRJRKPMIRMSBNK-UHFFFAOYSA-N",
      "OH_k298": "8.3e-13",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.73e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,3,3,4,4-nonafluoro-4-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)propoxy]butane",
      "cmpd_mwt": "512.14",
      "cmpd_formula": "C11H6O2F18",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C(C(C(F)(F)F)(F)F)(F)F)(OCCCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C11H6F18O2/c12-4(13,8(20,21)22)6(16,17)10(26,27)30-2-1-3-31-11(28,29)7(18,19)5(14,15)9(23,24)25/h1-3H2",
      "cmpd_inchikey": "DUJPKTJSPIENAQ-UHFFFAOYSA-N",
      "OH_k298": "1.3e-13",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-12",
      "Cl_uncert": "0.36",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "indene",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C9H8",
      "cmpd_type": "aromatic hydrocarbon with extra double or triple bonds",
      "cmpd_smiles": "c1ccc2c(c1)C=CC2",
      "cmpd_inchi": "InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2",
      "cmpd_inchikey": "YBYIRNPNPLQARY-UHFFFAOYSA-N",
      "OH_k298": "7.8e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.65e-16",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.1e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.09e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "indane",
      "cmpd_mwt": "118.18",
      "cmpd_formula": "C9H10",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "C1Cc2c(C1)cccc2",
      "cmpd_inchi": "InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2",
      "cmpd_inchikey": "PQNFLJBBNBOBRQ-UHFFFAOYSA-N",
      "OH_k298": "1.9e-11",
      "OH_uncert": "0.42",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "7.4e-15",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "alpha-methylstyrene",
      "cmpd_mwt": "118.18",
      "cmpd_formula": "C9H10",
      "cmpd_type": "aromatic hydrocarbon with extra double or triple bonds",
      "cmpd_smiles": "CC(=C)c1ccccc1",
      "cmpd_inchi": "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3",
      "cmpd_inchikey": "XYLMUPLGERFSHI-UHFFFAOYSA-N",
      "OH_k298": "5.1e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.8e-17",
      "O3_uncert": "0.22",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.85e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "beta-methylstyrene",
      "cmpd_mwt": "118.18",
      "cmpd_formula": "C9H10",
      "cmpd_type": "aromatic hydrocarbon with extra double or triple bonds",
      "cmpd_smiles": "CC=Cc1ccccc1",
      "cmpd_inchi": "InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3",
      "cmpd_inchikey": "QROGIFZRVHSFLM-UHFFFAOYSA-N",
      "OH_k298": "5.7e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cumene",
      "cmpd_mwt": "120.19",
      "cmpd_formula": "C9H12",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "CC(c1ccccc1)C",
      "cmpd_inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3",
      "cmpd_inchikey": "RWGFKTVRMDUZSP-UHFFFAOYSA-N",
      "OH_k298": "6.3e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,3-trimethylbenzene",
      "cmpd_mwt": "120.19",
      "cmpd_formula": "C9H12",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1c(C)cccc1C",
      "cmpd_inchi": "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3",
      "cmpd_inchikey": "FYGHSUNMUKGBRK-UHFFFAOYSA-N",
      "OH_k298": "3.27e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3.27e-11",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "296",
      "OH_t_high": "325",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.76e-15",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,4-trimethylbenzene",
      "cmpd_mwt": "120.19",
      "cmpd_formula": "C9H12",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1ccc(c(c1)C)C",
      "cmpd_inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3",
      "cmpd_inchikey": "GWHJZXXIDMPWGX-UHFFFAOYSA-N",
      "OH_k298": "3.25e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3.25e-11",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "325",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.72e-15",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3,5-trimethylbenzene",
      "cmpd_mwt": "120.19",
      "cmpd_formula": "C9H12",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1cc(C)cc(c1)C",
      "cmpd_inchi": "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3",
      "cmpd_inchikey": "AUHZEENZYGFFBQ-UHFFFAOYSA-N",
      "OH_k298": "5.86e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8.2e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.42e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "o-ethyltoluene",
      "cmpd_mwt": "120.19",
      "cmpd_formula": "C9H12",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "CCc1ccccc1C",
      "cmpd_inchi": "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3",
      "cmpd_inchikey": "HYFLWBNQFMXCPA-UHFFFAOYSA-N",
      "OH_k298": "1.23e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "m-ethyltoluene",
      "cmpd_mwt": "120.19",
      "cmpd_formula": "C9H12",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "CCc1cccc(c1)C",
      "cmpd_inchi": "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3",
      "cmpd_inchikey": "ZLCSFXXPPANWQY-UHFFFAOYSA-N",
      "OH_k298": "2.04e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.05e-12",
      "OH_B": "-883.879442053429",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "340",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "p-ethyltoluene",
      "cmpd_mwt": "120.19",
      "cmpd_formula": "C9H12",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "CCc1ccc(cc1)C",
      "cmpd_inchi": "InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",
      "cmpd_inchikey": "JRLPEMVDPFPYPJ-UHFFFAOYSA-N",
      "OH_k298": "1.23e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-propylbenzene",
      "cmpd_mwt": "120.19",
      "cmpd_formula": "C9H12",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "CCCc1ccccc1",
      "cmpd_inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3",
      "cmpd_inchikey": "ODLMAHJVESYWTB-UHFFFAOYSA-N",
      "OH_k298": "5.8e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-bicyclo[4.3.0]-nonane",
      "cmpd_mwt": "124.22",
      "cmpd_formula": "C9H16",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CC[C@H]2[C@H](C1)CCC2",
      "cmpd_inchi": "InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9-/m1/s1",
      "cmpd_inchikey": "BNRNAKTVFSZAFA-RKDXNWHRSA-N",
      "OH_k298": "1.65e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-bicyclo[4.3.0]nonane",
      "cmpd_mwt": "124.22",
      "cmpd_formula": "C9H16",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CC[C@H]2[C@@H](C1)CCC2",
      "cmpd_inchi": "InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9+",
      "cmpd_inchikey": "BNRNAKTVFSZAFA-DTORHVGOSA-N",
      "OH_k298": "1.6e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methyl-1-cyclooctene",
      "cmpd_mwt": "124.22",
      "cmpd_formula": "C9H16",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1=CCCCCCC1",
      "cmpd_inchi": "InChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h7H,2-6,8H2,1H3/b9-7-",
      "cmpd_inchikey": "WFLPGXDWMZEHGP-CLFYSBASSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.42e-15",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-1-cyclooctene",
      "cmpd_mwt": "124.22",
      "cmpd_formula": "C9H16",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1CCCCCC=C1",
      "cmpd_inchi": "InChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h5,7,9H,2-4,6,8H2,1H3/b7-5-",
      "cmpd_inchikey": "VGMAAJKEQOXIML-ALCCZGGFSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.39e-16",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-nonene",
      "cmpd_mwt": "126.24",
      "cmpd_formula": "C9H18",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCCCCC/C=C/C",
      "cmpd_inchi": "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3,5H,4,6-9H2,1-2H3/b5-3+",
      "cmpd_inchikey": "IICQZTQZQSBHBY-HWKANZROSA-N",
      "OH_k298": "7.54e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-octene",
      "cmpd_mwt": "126.24",
      "cmpd_formula": "C9H18",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCC(=C)C",
      "cmpd_inchi": "InChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h2,4-8H2,1,3H3",
      "cmpd_inchikey": "FBEDQPGLIKZGIN-UHFFFAOYSA-N",
      "OH_k298": "7.02e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.38e-17",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.9e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nonene",
      "cmpd_mwt": "126.24",
      "cmpd_formula": "C9H18",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCCC=C",
      "cmpd_inchi": "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3",
      "cmpd_inchikey": "JRZJOMJEPLMPRA-UHFFFAOYSA-N",
      "OH_k298": "4.32e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "9.9e-18",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.9e-10",
      "Cl_uncert": "0.29",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3-diethylpentane",
      "cmpd_mwt": "128.26",
      "cmpd_formula": "C9H20",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCC(CC)(CC)CC",
      "cmpd_inchi": "InChI=1S/C9H20/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3",
      "cmpd_inchikey": "BGXXXYLRPIRDHJ-UHFFFAOYSA-N",
      "OH_k298": "4.8e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-nonane",
      "cmpd_mwt": "128.26",
      "cmpd_formula": "C9H20",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCCCCCCC",
      "cmpd_inchi": "InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3",
      "cmpd_inchikey": "BKIMMITUMNQMOS-UHFFFAOYSA-N",
      "OH_k298": "1.02e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.34e-12",
      "OH_B": "-444",
      "OH_n": "2.19",
      "OH_t_low": "240",
      "OH_t_high": "1352",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.2e-16",
      "NO3_uncert": "0.27",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.6e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-phenylacrolein",
      "cmpd_mwt": "132.16",
      "cmpd_formula": "C9H8O",
      "cmpd_type": "mixed oxygenate",
      "cmpd_smiles": "O=CC=Cc1ccccc1",
      "cmpd_inchi": "InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H",
      "cmpd_inchikey": "KJPRLNWUNMBNBZ-UHFFFAOYSA-N",
      "OH_k298": "4.8e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.9e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.75",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isochroman",
      "cmpd_mwt": "134.18",
      "cmpd_formula": "C9H10O",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "O1CCc2c(C1)cccc2",
      "cmpd_inchi": "InChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2",
      "cmpd_inchikey": "HEBMCVBCEDMUOF-UHFFFAOYSA-N",
      "OH_k298": "3.7e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dimethylbenzaldehyde",
      "cmpd_mwt": "134.18",
      "cmpd_formula": "C9H10O",
      "cmpd_type": "aromatic aldehyde",
      "cmpd_smiles": "O=Cc1cccc(c1C)C",
      "cmpd_inchi": "InChI=1S/C9H10O/c1-7-4-3-5-9(6-10)8(7)2/h3-6H,1-2H3",
      "cmpd_inchikey": "UIFVCPMLQXKEEU-UHFFFAOYSA-N",
      "OH_k298": "2.55e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4-dimethylbenzaldehyde",
      "cmpd_mwt": "134.18",
      "cmpd_formula": "C9H10O",
      "cmpd_type": "aromatic aldehyde",
      "cmpd_smiles": "O=Cc1ccc(c(c1)C)C",
      "cmpd_inchi": "InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3",
      "cmpd_inchikey": "POQJHLBMLVTHAU-UHFFFAOYSA-N",
      "OH_k298": "2.36e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,6-dimethylbenzaldehyde",
      "cmpd_mwt": "134.18",
      "cmpd_formula": "C9H10O",
      "cmpd_type": "aromatic aldehyde",
      "cmpd_smiles": "O=Cc1c(C)cccc1C",
      "cmpd_inchi": "InChI=1S/C9H10O/c1-7-4-3-5-8(2)9(7)6-10/h3-6H,1-2H3",
      "cmpd_inchikey": "QOJQBWSZHCKOLL-UHFFFAOYSA-N",
      "OH_k298": "3.03e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,5-dimethylbenzaldehyde",
      "cmpd_mwt": "134.18",
      "cmpd_formula": "C9H10O",
      "cmpd_type": "aromatic aldehyde",
      "cmpd_smiles": "O=Cc1cc(C)ccc1C",
      "cmpd_inchi": "InChI=1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3",
      "cmpd_inchikey": "SMUVABOERCFKRW-UHFFFAOYSA-N",
      "OH_k298": "3.15e-11",
      "OH_uncert": "0.32",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.35e-14",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.3e-11",
      "Cl_uncert": "0.32",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4-dimethylbenzaldehyde",
      "cmpd_mwt": "134.18",
      "cmpd_formula": "C9H10O",
      "cmpd_type": "aromatic aldehyde",
      "cmpd_smiles": "O=Cc1ccc(cc1C)C",
      "cmpd_inchi": "InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3",
      "cmpd_inchikey": "GISVICWQYMUPJF-UHFFFAOYSA-N",
      "OH_k298": "3.12e-11",
      "OH_uncert": "0.32",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.59e-14",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.7e-11",
      "Cl_uncert": "0.23",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,5-dimethylbenzaldehyde",
      "cmpd_mwt": "134.18",
      "cmpd_formula": "C9H10O",
      "cmpd_type": "aromatic aldehyde",
      "cmpd_smiles": "O=Cc1cc(C)cc(c1)C",
      "cmpd_inchi": "InChI=1S/C9H10O/c1-7-3-8(2)5-9(4-7)6-10/h3-6H,1-2H3",
      "cmpd_inchikey": "NBEFMISJJNGCIZ-UHFFFAOYSA-N",
      "OH_k298": "2.78e-11",
      "OH_uncert": "0.22",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.57e-15",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.3e-11",
      "Cl_uncert": "0.22",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3,6-trimethylphenol",
      "cmpd_mwt": "136.19",
      "cmpd_formula": "C9H12O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1ccc(c(c1O)C)C",
      "cmpd_inchi": "InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3",
      "cmpd_inchikey": "QQOMQLYQAXGHSU-UHFFFAOYSA-N",
      "OH_k298": "1.27e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4,5-trimethylphenol",
      "cmpd_mwt": "136.19",
      "cmpd_formula": "C9H12O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Oc1cc(C)c(c(c1)C)C",
      "cmpd_inchi": "InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3",
      "cmpd_inchikey": "FDQQNNZKEJIHMS-UHFFFAOYSA-N",
      "OH_k298": "1.55e-10",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4,5-trimethylphenol",
      "cmpd_mwt": "136.19",
      "cmpd_formula": "C9H12O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1cc(O)c(cc1C)C",
      "cmpd_inchi": "InChI=1S/C9H12O/c1-6-4-8(3)9(10)5-7(6)2/h4-5,10H,1-3H3",
      "cmpd_inchikey": "VXSCPERJHPWROZ-UHFFFAOYSA-N",
      "OH_k298": "1.1e-10",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3,5-trimethylphenol",
      "cmpd_mwt": "136.19",
      "cmpd_formula": "C9H12O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1cc(C)c(c(c1)O)C",
      "cmpd_inchi": "InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3",
      "cmpd_inchikey": "OGRAOKJKVGDSFR-UHFFFAOYSA-N",
      "OH_k298": "1.37e-10",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4,6-trimethylphenol",
      "cmpd_mwt": "136.19",
      "cmpd_formula": "C9H12O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Cc1cc(C)c(c(c1)C)O",
      "cmpd_inchi": "InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3",
      "cmpd_inchikey": "BPRYUXCVCCNUFE-UHFFFAOYSA-N",
      "OH_k298": "1.67e-10",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-ethoxytoluene",
      "cmpd_mwt": "136.19",
      "cmpd_formula": "C9H12O",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "CCOc1ccc(cc1)C",
      "cmpd_inchi": "InChI=1S/C9H12O/c1-3-10-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3",
      "cmpd_inchikey": "WSWPHHNIHLTAHB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-acetyl-1-methylcyclohexene",
      "cmpd_mwt": "138.21",
      "cmpd_formula": "C9H14O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC1=CCC(CC1)C(=O)C",
      "cmpd_inchi": "InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3",
      "cmpd_inchikey": "HOBBEYSRFFJETF-UHFFFAOYSA-N",
      "OH_k298": "1.29e-10",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.5e-16",
      "O3_uncert": "0.35",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.05e-11",
      "NO3_uncert": "0.35",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "sabinaketone",
      "cmpd_mwt": "138.21",
      "cmpd_formula": "C9H14O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "O=C1CCC2(C1C2)C(C)C",
      "cmpd_inchi": "InChI=1S/C9H14O/c1-6(2)9-4-3-8(10)7(9)5-9/h6-7H,3-5H2,1-2H3",
      "cmpd_inchikey": "MDDYCNAAAZKNAJ-UHFFFAOYSA-N",
      "OH_k298": "6e-12",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.7e-16",
      "NO3_uncert": "0.41",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "nopinone",
      "cmpd_mwt": "138.21",
      "cmpd_formula": "C9H14O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "O=C1CCC2CC1C2(C)C",
      "cmpd_inchi": "InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3",
      "cmpd_inchikey": "XZFDKWMYCUEKSS-UHFFFAOYSA-N",
      "OH_k298": "1.52e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "camphenilone",
      "cmpd_mwt": "138.21",
      "cmpd_formula": "C9H14O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "O=C1C2CCC(C1(C)C)C2",
      "cmpd_inchi": "InChI=1S/C9H14O/c1-9(2)7-4-3-6(5-7)8(9)10/h6-7H,3-5H2,1-2H3",
      "cmpd_inchikey": "ZYPYEBYNXWUCEA-UHFFFAOYSA-N",
      "OH_k298": "4.8e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,5,5-trimethyl-2-cyclohexene-1-one",
      "cmpd_mwt": "138.21",
      "cmpd_formula": "C9H14O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC1=CC(=O)CC(C1)(C)C",
      "cmpd_inchi": "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3",
      "cmpd_inchikey": "HJOVHMDZYOCNQW-UHFFFAOYSA-N",
      "OH_k298": "2.4e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,6-dimethyl-4-heptanone",
      "cmpd_mwt": "142.24",
      "cmpd_formula": "C9H18O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CC(CC(=O)CC(C)C)C",
      "cmpd_inchi": "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3",
      "cmpd_inchikey": "PTTPXKJBFFKCEK-UHFFFAOYSA-N",
      "OH_k298": "2.5e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-nonanone",
      "cmpd_mwt": "142.24",
      "cmpd_formula": "C9H18O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CCCCCCCC(=O)C",
      "cmpd_inchi": "InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3",
      "cmpd_inchikey": "VKCYHJWLYTUGCC-UHFFFAOYSA-N",
      "OH_k298": "1.22e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "nonanal",
      "cmpd_mwt": "142.24",
      "cmpd_formula": "C9H18O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CCCCCCCCC=O",
      "cmpd_inchi": "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3",
      "cmpd_inchikey": "GYHFUZHODSMOHU-UHFFFAOYSA-N",
      "OH_k298": "3.2e-11",
      "OH_uncert": "0.41",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2e-14",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-acetylbenzaldehyde",
      "cmpd_mwt": "148.16",
      "cmpd_formula": "C9H8O2",
      "cmpd_type": "aromatic oxygenate",
      "cmpd_smiles": "O=Cc1ccccc1C(=O)C",
      "cmpd_inchi": "InChI=1S/C9H8O2/c1-7(11)9-5-3-2-4-8(9)6-10/h2-6H,1H3",
      "cmpd_inchikey": "VDEAMZDXUCYOQJ-UHFFFAOYSA-N",
      "OH_k298": "1.7e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "di-isobutoxymethane",
      "cmpd_mwt": "160.25",
      "cmpd_formula": "C9H20O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC(COCOCC(C)C)C",
      "cmpd_inchi": "InChI=1S/C9H20O2/c1-8(2)5-10-7-11-6-9(3)4/h8-9H,5-7H2,1-4H3",
      "cmpd_inchikey": "LVRIOILOUAJGGN-UHFFFAOYSA-N",
      "OH_k298": "3.6e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "di-2-butoxymethane",
      "cmpd_mwt": "160.25",
      "cmpd_formula": "C9H20O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCC(OCOC(CC)C)C",
      "cmpd_inchi": "InChI=1S/C9H20O2/c1-5-8(3)10-7-11-9(4)6-2/h8-9H,5-7H2,1-4H3",
      "cmpd_inchikey": "YJBUXLCNFNPNEB-UHFFFAOYSA-N",
      "OH_k298": "4.3e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "8.7e-12",
      "OH_B": "-477",
      "OH_n": "",
      "OH_t_low": "260",
      "OH_t_high": "401",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "di-n-butoxymethane",
      "cmpd_mwt": "160.25",
      "cmpd_formula": "C9H20O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCCCOCOCCCC",
      "cmpd_inchi": "InChI=1S/C9H20O2/c1-3-5-7-10-9-11-8-6-4-2/h3-9H2,1-2H3",
      "cmpd_inchikey": "QLCJOAMJPCOIDI-UHFFFAOYSA-N",
      "OH_k298": "3.6e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "5.2e-12",
      "OH_B": "-580",
      "OH_n": "",
      "OH_t_low": "260",
      "OH_t_high": "400",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5,5,6,6,6-nonafluorohexyl prop-2-enoate",
      "cmpd_mwt": "318.14",
      "cmpd_formula": "C9H7O2F9",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "C=CC(=O)OCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C9H7F9O2/c1-2-5(19)20-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-4H2",
      "cmpd_inchikey": "GYUPEJSTJSFVRR-UHFFFAOYSA-N",
      "OH_k298": "1.15e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.07e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,3,3-hexafluoro-3-[3-(1,1,2,3,3,3-hexafluoropropoxy)propoxy]propane",
      "cmpd_mwt": "376.14",
      "cmpd_formula": "C9H8O2F12",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(C(OCCCOC(C(C(F)(F)F)F)(F)F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C9H8F12O2/c10-4(6(12,13)14)8(18,19)22-2-1-3-23-9(20,21)5(11)7(15,16)17/h4-5H,1-3H2",
      "cmpd_inchikey": "WIISIUGKJRHYBI-UHFFFAOYSA-N",
      "OH_k298": "2.3e-13",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.9e-12",
      "Cl_uncert": "0.34",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-ethoxy-1,1,1,2,2,3,3,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane",
      "cmpd_mwt": "414.11",
      "cmpd_formula": "C9H5OF15",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCOC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(C(F)(F)F)F)F",
      "cmpd_inchi": "InChI=1S/C9H5F15O/c1-2-25-6(15,3(10,7(16,17)18)8(19,20)21)4(11,12)5(13,14)9(22,23)24/h2H2,1H3",
      "cmpd_inchikey": "HHBBIOLEJRWIGU-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.3e-12",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "azulene",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C10H8",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "c1ccc2c(cc1)ccc2",
      "cmpd_inchi": "InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H",
      "cmpd_inchikey": "CUFNKYGDVFVPHO-UHFFFAOYSA-N",
      "OH_k298": "2.73e-10",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.9e-10",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "naphthalene",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C10H8",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "c1ccc2c(c1)cccc2",
      "cmpd_inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H",
      "cmpd_inchikey": "UFWIBTONFRDIAS-UHFFFAOYSA-N",
      "OH_k298": "2.3e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.55e-11",
      "OH_B": "-117",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "340",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.22e-12",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tetralin",
      "cmpd_mwt": "132.2",
      "cmpd_formula": "C10H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "C1CCc2c(C1)cccc2",
      "cmpd_inchi": "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2",
      "cmpd_inchikey": "CXWXQJXEFPUFDZ-UHFFFAOYSA-N",
      "OH_k298": "3.4e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.11e-14",
      "NO3_uncert": "0.2",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "beta,beta-dimethylstyrene",
      "cmpd_mwt": "132.2",
      "cmpd_formula": "C10H12",
      "cmpd_type": "aromatic hydrocarbon with extra double or triple bonds",
      "cmpd_smiles": "CC(=Cc1ccccc1)C",
      "cmpd_inchi": "InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3",
      "cmpd_inchikey": "BTOVVHWKPVSLBI-UHFFFAOYSA-N",
      "OH_k298": "3.2e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "t-butylbenzene",
      "cmpd_mwt": "134.22",
      "cmpd_formula": "C10H14",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "CC(c1ccccc1)(C)C",
      "cmpd_inchi": "InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3",
      "cmpd_inchikey": "YTZKOQUCBOVLHL-UHFFFAOYSA-N",
      "OH_k298": "4.5e-12",
      "OH_uncert": "0.36",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "p-cymene",
      "cmpd_mwt": "134.22",
      "cmpd_formula": "C10H14",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1ccc(cc1)C(C)C",
      "cmpd_inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",
      "cmpd_inchikey": "HFPZCAJZSCWRBC-UHFFFAOYSA-N",
      "OH_k298": "1.52e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.82e-12",
      "OH_B": "-607",
      "OH_n": "",
      "OH_t_low": "243",
      "OH_t_high": "320",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1e-15",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.96e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "1.01e-9",
      "Cl_B": "488",
      "Cl_n": "",
      "Cl_t_low": "288",
      "Cl_t_high": "350"
    },
    {
      "cmpd_name": "1,2,4,5-tetramethylbenzene",
      "cmpd_mwt": "134.22",
      "cmpd_formula": "C10H14",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1cc(C)c(cc1C)C",
      "cmpd_inchi": "InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3",
      "cmpd_inchikey": "SQNZJJAZBFDUTD-UHFFFAOYSA-N",
      "OH_k298": "5.61e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.31e-12",
      "OH_B": "-1120",
      "OH_n": "",
      "OH_t_low": "300",
      "OH_t_high": "343",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,3,5-tetramethylbenzene",
      "cmpd_mwt": "134.22",
      "cmpd_formula": "C10H14",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1cc(C)c(c(c1)C)C",
      "cmpd_inchi": "InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3",
      "cmpd_inchikey": "BFIMMTCNYPIMRN-UHFFFAOYSA-N",
      "OH_k298": "6.24e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.07e-11",
      "OH_B": "-330",
      "OH_n": "",
      "OH_t_low": "297",
      "OH_t_high": "335",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,3,4-tetramethylbenzene",
      "cmpd_mwt": "134.22",
      "cmpd_formula": "C10H14",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1c(C)ccc(c1C)C",
      "cmpd_inchi": "InChI=1S/C10H14/c1-7-5-6-8(2)10(4)9(7)3/h5-6H,1-4H3",
      "cmpd_inchikey": "UOHMMEJUHBCKEE-UHFFFAOYSA-N",
      "OH_k298": "6.64e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.18e-12",
      "OH_B": "-820",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "362",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "adamantane",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1C2CC3CC1CC(C2)C3",
      "cmpd_inchi": "InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2",
      "cmpd_inchikey": "ORILYTVJVMAKLC-UHFFFAOYSA-N",
      "OH_k298": "2.15e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tricyclo[5.2.1.02,6]decane",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CC2C(C1)C1CC2CC1",
      "cmpd_inchi": "InChI=1S/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2",
      "cmpd_inchikey": "LPSXSORODABQKT-UHFFFAOYSA-N",
      "OH_k298": "1.06e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "limonene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "CC1=CCC(CC1)C(=C)C",
      "cmpd_inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3",
      "cmpd_inchikey": "XMGQYMWWDOXHJM-UHFFFAOYSA-N",
      "OH_k298": "1.65e-10",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "3.41e-11",
      "OH_B": "-470",
      "OH_n": "",
      "OH_t_low": "220",
      "OH_t_high": "363",
      "O3_k298": "2.2e-16",
      "O3_uncert": "0.26",
      "O3_u_fac": "",
      "O3_A": "2.91e-15",
      "O3_B": "770",
      "O3_n": "",
      "O3_t_low": "290",
      "O3_t_high": "370",
      "NO3_k298": "1.2e-11",
      "NO3_uncert": "0.32",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.4e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "terpinolene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "CC1=CCC(=C(C)C)CC1",
      "cmpd_inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3",
      "cmpd_inchikey": "MOYAFQVGZZPNRA-UHFFFAOYSA-N",
      "OH_k298": "2.2e-10",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.6e-15",
      "O3_uncert": "",
      "O3_u_fac": "1.4",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.7e-11",
      "NO3_uncert": "",
      "NO3_u_fac": "1.8",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "beta-ocimene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=CC(=CCC=C(C)C)C",
      "cmpd_inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3",
      "cmpd_inchikey": "IHPKGUQCSIINRJ-UHFFFAOYSA-N",
      "OH_k298": "2.52e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.1e-16",
      "O3_uncert": "",
      "O3_u_fac": "1.6",
      "O3_A": "4.15e-15",
      "O3_B": "625",
      "O3_n": "",
      "O3_t_low": "290",
      "O3_t_high": "320",
      "NO3_k298": "2.2e-11",
      "NO3_uncert": "",
      "NO3_u_fac": "1.4",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.5e-10",
      "Cl_uncert": "0.13",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "myrcene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=CC(=C)CCC=C(C)C",
      "cmpd_inchi": "InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3",
      "cmpd_inchikey": "UAHWPYUMFXYFJY-UHFFFAOYSA-N",
      "OH_k298": "2.15e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.7e-16",
      "O3_uncert": "",
      "O3_u_fac": "1.6",
      "O3_A": "2.69e-15",
      "O3_B": "520",
      "O3_n": "",
      "O3_t_low": "290",
      "O3_t_high": "320",
      "NO3_k298": "1.1e-11",
      "NO3_uncert": "0.32",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.55e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "7.55e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "283",
      "Cl_t_high": "323"
    },
    {
      "cmpd_name": "alpha-terpinene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "CC1=CC=C(CC1)C(C)C",
      "cmpd_inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3",
      "cmpd_inchikey": "YHQGMYUVUMAZJR-UHFFFAOYSA-N",
      "OH_k298": "3.5e-10",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.9e-14",
      "O3_uncert": "",
      "O3_u_fac": "1.6",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.8e-10",
      "NO3_uncert": "",
      "NO3_u_fac": "1.8",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "gamma-terpinene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "CC1=CCC(=CC1)C(C)C",
      "cmpd_inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3",
      "cmpd_inchikey": "YKFLAYDHMOASIY-UHFFFAOYSA-N",
      "OH_k298": "1.7e-10",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.79e-16",
      "O3_uncert": "0.19",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.9e-11",
      "NO3_uncert": "0.32",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "sabinene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C=C1CCC2(C1C2)C(C)C",
      "cmpd_inchi": "InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3",
      "cmpd_inchikey": "NDVASEGYNIMXJL-UHFFFAOYSA-N",
      "OH_k298": "1.17e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "8.3e-17",
      "O3_uncert": "",
      "O3_u_fac": "1.4",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1e-11",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "alpha-phellandrene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "CC1=CCC(C=C1)C(C)C",
      "cmpd_inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3",
      "cmpd_inchikey": "OGLDWXZKYODSOB-UHFFFAOYSA-N",
      "OH_k298": "3.2e-10",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.9e-15",
      "O3_uncert": "",
      "O3_u_fac": "1.6",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "7.3e-11",
      "NO3_uncert": "",
      "NO3_u_fac": "1.4",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "beta-phellandrene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "CC(C1CCC(=C)C=C1)C",
      "cmpd_inchi": "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3",
      "cmpd_inchikey": "LFJQCDVYDGGFCH-UHFFFAOYSA-N",
      "OH_k298": "1.7e-10",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.2e-17",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8.34e-12",
      "NO3_uncert": "0.35",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tricyclene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CC12C3C1CC(C2(C)C)C3",
      "cmpd_inchi": "InChI=1S/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3",
      "cmpd_inchikey": "RRBYUSWBLVXTQN-UHFFFAOYSA-N",
      "OH_k298": "2.7e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "beta-pinene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C=C1CCC2CC1C2(C)C",
      "cmpd_inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3",
      "cmpd_inchikey": "WTARULDDTDQWMU-UHFFFAOYSA-N",
      "OH_k298": "7.6e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "1.62e-11",
      "OH_B": "-460",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "420",
      "O3_k298": "1.9e-17",
      "O3_uncert": "",
      "O3_u_fac": "1.8",
      "O3_A": "1.39e-15",
      "O3_B": "1280",
      "O3_n": "",
      "O3_t_low": "290",
      "O3_t_high": "370",
      "NO3_k298": "2.5e-12",
      "NO3_uncert": "0.32",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.3e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "camphene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C=C1C2CCC(C1(C)C)C2",
      "cmpd_inchi": "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3",
      "cmpd_inchikey": "CRPUJAZIXJMDBK-UHFFFAOYSA-N",
      "OH_k298": "5.19e-11",
      "OH_uncert": "0.22",
      "OH_u_fac": "",
      "OH_A": "4.13e-12",
      "OH_B": "-754",
      "OH_n": "",
      "OH_t_low": "288",
      "OH_t_high": "311",
      "O3_k298": "5e-19",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "9e-18",
      "O3_B": "860",
      "O3_n": "",
      "O3_t_low": "285",
      "O3_t_high": "315",
      "NO3_k298": "6.6e-13",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.3e-10",
      "Cl_uncert": "0.12",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-carene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1=CC2C(CC1)C2(C)C",
      "cmpd_inchi": "InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3",
      "cmpd_inchikey": "IBVJWOMJGCHRRW-UHFFFAOYSA-N",
      "OH_k298": "8e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.4e-16",
      "O3_uncert": "",
      "O3_u_fac": "1.6",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2e-11",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.8e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "5.8e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "283",
      "Cl_t_high": "323"
    },
    {
      "cmpd_name": "3-carene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1=CCC2C(C1)C2(C)C",
      "cmpd_inchi": "InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",
      "cmpd_inchikey": "BQOFWKZOCNGFEC-UHFFFAOYSA-N",
      "OH_k298": "8.3e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.5e-11",
      "OH_B": "-357",
      "OH_n": "",
      "OH_t_low": "235",
      "OH_t_high": "357",
      "O3_k298": "4.3e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9e-12",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.4e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "5.4e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "283",
      "Cl_t_high": "323"
    },
    {
      "cmpd_name": "alpha-pinene",
      "cmpd_mwt": "136.23",
      "cmpd_formula": "C10H16",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1=CCC2CC1C2(C)C",
      "cmpd_inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3",
      "cmpd_inchikey": "GRWFGVWFFZKLTI-UHFFFAOYSA-N",
      "OH_k298": "5.3e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "1.34e-11",
      "OH_B": "-410",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "360",
      "O3_k298": "9.6e-17",
      "O3_uncert": "",
      "O3_u_fac": "1.4",
      "O3_A": "8.22e-16",
      "O3_B": "640",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "370",
      "NO3_k298": "6.2e-12",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "1.2e-12",
      "NO3_B": "-490",
      "NO3_n": "",
      "NO3_t_low": "260",
      "NO3_t_high": "390",
      "Cl_k298": "5e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "5e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "283",
      "Cl_t_high": "323"
    },
    {
      "cmpd_name": "(E)-pinane",
      "cmpd_mwt": "138.25",
      "cmpd_formula": "C10H18",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C[C@H]1CC[C@@H]2C[C@@H]1C2(C)C",
      "cmpd_inchi": "InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m0/s1",
      "cmpd_inchikey": "XOKSLPVRUOBDEW-YIZRAAEISA-N",
      "OH_k298": "1.24e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-decalin",
      "cmpd_mwt": "138.25",
      "cmpd_formula": "C10H18",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CC[C@@H]2[C@@H](C1)CCCC2",
      "cmpd_inchi": "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-",
      "cmpd_inchikey": "NNBZCPXTIHJBJL-MGCOHNPYSA-N",
      "OH_k298": "1.9e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-decalin",
      "cmpd_mwt": "138.25",
      "cmpd_formula": "C10H18",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CC[C@H]2[C@@H](C1)CCCC2",
      "cmpd_inchi": "InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+",
      "cmpd_inchikey": "NNBZCPXTIHJBJL-AOOOYVTPSA-N",
      "OH_k298": "1.86e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclodecene",
      "cmpd_mwt": "138.25",
      "cmpd_formula": "C10H18",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C1CCCCC=CCCC1",
      "cmpd_inchi": "InChI=1S/C10H18/c1-2-4-6-8-10-9-7-5-3-1/h1-2H,3-10H2",
      "cmpd_inchikey": "UCIYGNATMHQYCT-UHFFFAOYSA-N",
      "OH_k298": "4.18e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.9e-17",
      "O3_uncert": "0.31",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-isopropyl-1-methyl-cyclohexene",
      "cmpd_mwt": "138.25",
      "cmpd_formula": "C10H18",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1=CCC(CC1)C(C)C",
      "cmpd_inchi": "InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,8,10H,5-7H2,1-3H3",
      "cmpd_inchikey": "FAMJUFMHYAFYNU-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,7-dimethyl-1,6-octadiene",
      "cmpd_mwt": "138.25",
      "cmpd_formula": "C10H18",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=CC(CCC=C(C)C)C",
      "cmpd_inchi": "InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3",
      "cmpd_inchikey": "FUDNBFMOXDUIIE-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "6.8e-16",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4-diethyl-2-hexene",
      "cmpd_mwt": "140.27",
      "cmpd_formula": "C10H20",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCC(=CC)C(CC)CC",
      "cmpd_inchi": "InChI=1S/C10H20/c1-5-9(6-2)10(7-3)8-4/h5,10H,6-8H2,1-4H3",
      "cmpd_inchikey": "WTCHQGKPTSGKHU-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4e-18",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-5-decene",
      "cmpd_mwt": "140.27",
      "cmpd_formula": "C10H20",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCCC/C=C\\CCCC",
      "cmpd_inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h9-10H,3-8H2,1-2H3/b10-9-",
      "cmpd_inchikey": "UURSXESKOOOTOV-KTKRTIGZSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.14e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-5-decene",
      "cmpd_mwt": "140.27",
      "cmpd_formula": "C10H20",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCCC/C=C/CCCC",
      "cmpd_inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h9-10H,3-8H2,1-2H3/b10-9+",
      "cmpd_inchikey": "UURSXESKOOOTOV-MDZDMXLPSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.3e-16",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-butylcyclohexane",
      "cmpd_mwt": "140.27",
      "cmpd_formula": "C10H20",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CCCCC1CCCCC1",
      "cmpd_inchi": "InChI=1S/C10H20/c1-2-3-7-10-8-5-4-6-9-10/h10H,2-9H2,1H3",
      "cmpd_inchikey": "GGBJHURWWWLEQH-UHFFFAOYSA-N",
      "OH_k298": "1.47e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-decene",
      "cmpd_mwt": "140.27",
      "cmpd_formula": "C10H20",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCCCCCC/C=C/C",
      "cmpd_inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3,5H,4,6-10H2,1-2H3/b5-3+",
      "cmpd_inchikey": "YKNMBTZOEVIJCM-HWKANZROSA-N",
      "OH_k298": "7.8e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-nonene",
      "cmpd_mwt": "140.27",
      "cmpd_formula": "C10H20",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCCC(=C)C",
      "cmpd_inchi": "InChI=1S/C10H20/c1-4-5-6-7-8-9-10(2)3/h2,4-9H2,1,3H3",
      "cmpd_inchikey": "YLZQHQUVNZVGOK-UHFFFAOYSA-N",
      "OH_k298": "7.28e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.2e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-decene",
      "cmpd_mwt": "140.27",
      "cmpd_formula": "C10H20",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCCCC=C",
      "cmpd_inchi": "InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-10H2,2H3",
      "cmpd_inchikey": "AFFLGGQVNFXPEV-UHFFFAOYSA-N",
      "OH_k298": "4.61e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.11e-17",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.6e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-decane",
      "cmpd_mwt": "142.28",
      "cmpd_formula": "C10H22",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCCCCCCCC",
      "cmpd_inchi": "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3",
      "cmpd_inchikey": "DIOQZVSQGTUSAI-UHFFFAOYSA-N",
      "OH_k298": "1.31e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "2.53e-12",
      "OH_B": "-494",
      "OH_n": "2",
      "OH_t_low": "240",
      "OH_t_high": "1110",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.6e-16",
      "NO3_uncert": "0.27",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.27e-10",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "camphor",
      "cmpd_mwt": "152.23",
      "cmpd_formula": "C10H16O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "O=C1CC2C(C1(C)CC2)(C)C",
      "cmpd_inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",
      "cmpd_inchikey": "DSSYKIVIOFKYAU-UHFFFAOYSA-N",
      "OH_k298": "4.1e-12",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.59e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "linalool",
      "cmpd_mwt": "154.25",
      "cmpd_formula": "C10H18O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "C=CC(CCC=C(C)C)(O)C",
      "cmpd_inchi": "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3",
      "cmpd_inchikey": "CDOSHBSSFJOMGT-UHFFFAOYSA-N",
      "OH_k298": "1.79e-10",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.24e-16",
      "O3_uncert": "0.24",
      "O3_u_fac": "",
      "O3_A": "1.6e-15",
      "O3_B": "396",
      "O3_n": "",
      "O3_t_low": "299",
      "O3_t_high": "322",
      "NO3_k298": "1.1e-11",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "geraniol",
      "cmpd_mwt": "154.25",
      "cmpd_formula": "C10H18O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "OCC=C(CCC=C(C)C)C",
      "cmpd_inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3",
      "cmpd_inchikey": "GLZPCOQZEFWAFX-UHFFFAOYSA-N",
      "OH_k298": "2.3e-10",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "9.3e-16",
      "O3_uncert": "",
      "O3_u_fac": "1.5",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.6e-11",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "citronellal",
      "cmpd_mwt": "154.25",
      "cmpd_formula": "C10H18O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=CCC(CCC=C(C)C)C",
      "cmpd_inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3",
      "cmpd_inchikey": "NEHNMFOYXAPHSD-UHFFFAOYSA-N",
      "OH_k298": "1.51e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.5e-16",
      "O3_uncert": "0.29",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "alpha-terpineol",
      "cmpd_mwt": "154.25",
      "cmpd_formula": "C10H18O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC1=CCC(CC1)C(O)(C)C",
      "cmpd_inchi": "InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3",
      "cmpd_inchikey": "WUOACPNHFRMFPN-UHFFFAOYSA-N",
      "OH_k298": "1.9e-10",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3e-16",
      "O3_uncert": "0.5",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.6e-11",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cineole",
      "cmpd_mwt": "154.25",
      "cmpd_formula": "C10H18O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC12CCC(CC1)C(O2)(C)C",
      "cmpd_inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3",
      "cmpd_inchikey": "WEEGYLXZBRQIMU-UHFFFAOYSA-N",
      "OH_k298": "1.04e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.7e-16",
      "NO3_uncert": "0.35",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.18e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "1.3100000000000001e-10",
      "Cl_B": "-151.600000001657",
      "Cl_n": "",
      "Cl_t_low": "285",
      "Cl_t_high": "313"
    },
    {
      "cmpd_name": "dihydromyrcenol",
      "cmpd_mwt": "156.27",
      "cmpd_formula": "C10H20O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "C=CC(CCCC(O)(C)C)C",
      "cmpd_inchi": "InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3",
      "cmpd_inchikey": "XSNQECSCDATQEL-UHFFFAOYSA-N",
      "OH_k298": "3.8e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.5e-14",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "citronellol",
      "cmpd_mwt": "156.27",
      "cmpd_formula": "C10H20O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "OCCC(CCC=C(C)C)C",
      "cmpd_inchi": "InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3",
      "cmpd_inchikey": "QMVPMAAFGQKVCJ-UHFFFAOYSA-N",
      "OH_k298": "1.7e-10",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.4e-16",
      "O3_uncert": "0.5",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.15e-11",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-decanone",
      "cmpd_mwt": "156.27",
      "cmpd_formula": "C10H20O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CCCCCCCCC(=O)C",
      "cmpd_inchi": "InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3",
      "cmpd_inchikey": "ZAJNGDIORYACQU-UHFFFAOYSA-N",
      "OH_k298": "1.32e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "decanal",
      "cmpd_mwt": "156.27",
      "cmpd_formula": "C10H20O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CCCCCCCCCC=O",
      "cmpd_inchi": "InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3",
      "cmpd_inchikey": "KSMVZQYAVGTKIV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.2e-14",
      "NO3_uncert": "0.18",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-naphthoquinone",
      "cmpd_mwt": "158.15",
      "cmpd_formula": "C10H6O2",
      "cmpd_type": "mixed oxygenate",
      "cmpd_smiles": "O=C1C=CC(=O)c2c1cccc2",
      "cmpd_inchi": "InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H",
      "cmpd_inchikey": "FRASJONUBLZVQX-UHFFFAOYSA-N",
      "OH_k298": "2.9e-12",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "di-n-pentyl ether",
      "cmpd_mwt": "158.28",
      "cmpd_formula": "C10H22O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCCCCOCCCCC",
      "cmpd_inchi": "InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3",
      "cmpd_inchikey": "AOPDRZXCEAKHHW-UHFFFAOYSA-N",
      "OH_k298": "3.3e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "7.8e-12",
      "OH_B": "-429",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.3e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-diacetylbenzene",
      "cmpd_mwt": "162.19",
      "cmpd_formula": "C10H10O2",
      "cmpd_type": "aromatic ketone",
      "cmpd_smiles": "CC(=O)c1ccccc1C(=O)C",
      "cmpd_inchi": "InChI=1S/C10H10O2/c1-7(11)9-5-3-4-6-10(9)8(2)12/h3-6H,1-2H3",
      "cmpd_inchikey": "LVQFKRXRTXCQCZ-UHFFFAOYSA-N",
      "OH_k298": "4e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.75",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "pinonaldehyde",
      "cmpd_mwt": "168.23",
      "cmpd_formula": "C10H16O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "O=CCC1CC(C1(C)C)C(=O)C",
      "cmpd_inchi": "InChI=1S/C10H16O2/c1-7(12)9-6-8(4-5-11)10(9,2)3/h5,8-9H,4,6H2,1-3H3",
      "cmpd_inchikey": "GCHDWVBHKDJOKU-UHFFFAOYSA-N",
      "OH_k298": "3.9e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "5.2e-12",
      "OH_B": "-600",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "380",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.8",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.3e-10",
      "Cl_uncert": "0.39",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "caronaldehyde",
      "cmpd_mwt": "168.23",
      "cmpd_formula": "C10H16O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "O=CCC1C(C1(C)C)CC(=O)C",
      "cmpd_inchi": "InChI=1S/C10H16O2/c1-7(12)6-9-8(4-5-11)10(9,2)3/h5,8-9H,4,6H2,1-3H3",
      "cmpd_inchikey": "DINMJPWMECTCJA-UHFFFAOYSA-N",
      "OH_k298": "4.55e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.5e-14",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropenyl-6-oxo-heptanal",
      "cmpd_mwt": "168.23",
      "cmpd_formula": "C10H16O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "O=CCC(C(=C)C)CCC(=O)C",
      "cmpd_inchi": "InChI=1S/C10H16O2/c1-8(2)10(6-7-11)5-4-9(3)12/h7,10H,1,4-6H2,2-3H3",
      "cmpd_inchikey": "OGCGCISRMFSLTC-UHFFFAOYSA-N",
      "OH_k298": "1.1e-10",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "7.8e-18",
      "O3_uncert": "0.29",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.6e-13",
      "NO3_uncert": "0.38",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nitronaphthalene",
      "cmpd_mwt": "173.17",
      "cmpd_formula": "C10H7NO2",
      "cmpd_type": "nitrophenol",
      "cmpd_smiles": "[O-][N+](=O)c1cccc2c1cccc2",
      "cmpd_inchi": "InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H",
      "cmpd_inchikey": "RJKGJBPXVHTNJL-UHFFFAOYSA-N",
      "OH_k298": "7.45e-12",
      "OH_uncert": "0.46",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-nitronaphthalene",
      "cmpd_mwt": "173.17",
      "cmpd_formula": "C10H7NO2",
      "cmpd_type": "nitrophenol",
      "cmpd_smiles": "[O-][N+](=O)c1ccc2c(c1)cccc2",
      "cmpd_inchi": "InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H",
      "cmpd_inchikey": "ZJYJZEAJZXVAMF-UHFFFAOYSA-N",
      "OH_k298": "5.48e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanal",
      "cmpd_mwt": "462.1",
      "cmpd_formula": "C10H3OF17",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C10H3F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2",
      "cmpd_inchikey": "KDGIOTBLYAPNRR-UHFFFAOYSA-N",
      "OH_k298": "1.8e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.8e-11",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decanol",
      "cmpd_mwt": "464.12",
      "cmpd_formula": "C10H5OF17",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C10H5F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2",
      "cmpd_inchikey": "JJUBFBTUBACDHW-UHFFFAOYSA-N",
      "OH_k298": "8.3e-13",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.73e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methylnaphthalene",
      "cmpd_mwt": "142.2",
      "cmpd_formula": "C11H10",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1cccc2c1cccc2",
      "cmpd_inchi": "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3",
      "cmpd_inchikey": "QPUYECUOLPXSFR-UHFFFAOYSA-N",
      "OH_k298": "4.7e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.21e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylnaphthalene",
      "cmpd_mwt": "142.2",
      "cmpd_formula": "C11H10",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1ccc2c(c1)cccc2",
      "cmpd_inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3",
      "cmpd_inchikey": "QIMMUPPBPVKWKM-UHFFFAOYSA-N",
      "OH_k298": "5.05e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.05e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "pentamethylbenzene",
      "cmpd_mwt": "148.24",
      "cmpd_formula": "C11H16",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1cc(C)c(c(c1C)C)C",
      "cmpd_inchi": "InChI=1S/C11H16/c1-7-6-8(2)10(4)11(5)9(7)3/h6H,1-5H3",
      "cmpd_inchikey": "BEZDDPMMPIDMGJ-UHFFFAOYSA-N",
      "OH_k298": "1.07e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "3.97e-12",
      "OH_B": "-980",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "330",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-tert-butyltoluene",
      "cmpd_mwt": "148.24",
      "cmpd_formula": "C11H16",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1ccc(cc1)C(C)(C)C",
      "cmpd_inchi": "InChI=1S/C11H16/c1-9-5-7-10(8-6-9)11(2,3)4/h5-8H,1-4H3",
      "cmpd_inchikey": "QCWXDVFBZVHKLV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.7e-16",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-decene",
      "cmpd_mwt": "154.29",
      "cmpd_formula": "C11H22",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCCCC(=C)C",
      "cmpd_inchi": "InChI=1S/C11H22/c1-4-5-6-7-8-9-10-11(2)3/h2,4-10H2,1,3H3",
      "cmpd_inchikey": "HLMACKQLXSEXIY-UHFFFAOYSA-N",
      "OH_k298": "7.85e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.48e-17",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-undecene",
      "cmpd_mwt": "154.29",
      "cmpd_formula": "C11H22",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCCCCC=C",
      "cmpd_inchi": "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3",
      "cmpd_inchikey": "DCTOHCCUXLBQMS-UHFFFAOYSA-N",
      "OH_k298": "4.79e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.03e-17",
      "O3_uncert": "0.29",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-undecane",
      "cmpd_mwt": "156.31",
      "cmpd_formula": "C11H24",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCCCCCCCCC",
      "cmpd_inchi": "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3",
      "cmpd_inchikey": "RSJKGSCJYJTIGS-UHFFFAOYSA-N",
      "OH_k298": "1.19e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.47e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-nitronaphthalene",
      "cmpd_mwt": "187.19",
      "cmpd_formula": "C11H9NO2",
      "cmpd_type": "nitrophenol",
      "cmpd_smiles": "[O-][N+](=O)c1c(C)ccc2c1cccc2",
      "cmpd_inchi": "InChI=1S/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3",
      "cmpd_inchikey": "IZNWACYOILBFEG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.13e-14",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "acenaphthylene",
      "cmpd_mwt": "152.19",
      "cmpd_formula": "C12H8",
      "cmpd_type": "aromatic hydrocarbon with extra double or triple bonds",
      "cmpd_smiles": "c1cc2cccc3c2c(c1)C=C3",
      "cmpd_inchi": "InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H",
      "cmpd_inchikey": "HXGDTGSAIMULJN-UHFFFAOYSA-N",
      "OH_k298": "1.09e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.99e-16",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.42e-12",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.69e-10",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "biphenyl",
      "cmpd_mwt": "154.21",
      "cmpd_formula": "C12H10",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "c1ccc(cc1)c1ccccc1",
      "cmpd_inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H",
      "cmpd_inchikey": "ZUOUZKKEUPVFJK-UHFFFAOYSA-N",
      "OH_k298": "7.48e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "6.99e-12",
      "OH_B": "-20",
      "OH_n": "",
      "OH_t_low": "324",
      "OH_t_high": "356",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "acenaphthene",
      "cmpd_mwt": "154.21",
      "cmpd_formula": "C12H10",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "c1cc2cccc3c2c(c1)CC3",
      "cmpd_inchi": "InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2",
      "cmpd_inchikey": "CWRYPZZKDGJXCA-UHFFFAOYSA-N",
      "OH_k298": "8e-11",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.16e-13",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.01e-10",
      "Cl_uncert": "0.27",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dimethylnaphthalene",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C12H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1cc2ccccc2cc1C",
      "cmpd_inchi": "InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3",
      "cmpd_inchikey": "WWGUMAYGTYQSGA-UHFFFAOYSA-N",
      "OH_k298": "6.8e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.93e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,3,4,5,6-hexamethylbenzene",
      "cmpd_mwt": "162.27",
      "cmpd_formula": "C12H18",
      "cmpd_type": "alkylbenzene",
      "cmpd_smiles": "Cc1c(C)c(C)c(c(c1C)C)C",
      "cmpd_inchi": "InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3",
      "cmpd_inchikey": "YUWFEBAXEOLKSG-UHFFFAOYSA-N",
      "OH_k298": "1.41e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.07e-11",
      "OH_B": "-570.000000000335",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "330",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dibenzofuran",
      "cmpd_mwt": "168.19",
      "cmpd_formula": "C12H8O",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "c1ccc2c(c1)oc1c2cccc1",
      "cmpd_inchi": "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H",
      "cmpd_inchikey": "TXCDCPKCNAJMEE-UHFFFAOYSA-N",
      "OH_k298": "3.44e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.2e-11",
      "OH_B": "553",
      "OH_n": "",
      "OH_t_low": "345",
      "OH_t_high": "386",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-undecene",
      "cmpd_mwt": "168.32",
      "cmpd_formula": "C12H24",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCCCCC(=C)C",
      "cmpd_inchi": "InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h2,4-11H2,1,3H3",
      "cmpd_inchikey": "SJVKHZYVCVKEGM-UHFFFAOYSA-N",
      "OH_k298": "7.85e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.46e-17",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.2e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-dodecene",
      "cmpd_mwt": "168.32",
      "cmpd_formula": "C12H24",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCCCCCC=C",
      "cmpd_inchi": "InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3",
      "cmpd_inchikey": "CRSBERNSMYQZNG-UHFFFAOYSA-N",
      "OH_k298": "5.03e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.03e-17",
      "O3_uncert": "0.29",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.8e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diphenyl ether",
      "cmpd_mwt": "170.21",
      "cmpd_formula": "C12H10O",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "c1ccc(cc1)Oc1ccccc1",
      "cmpd_inchi": "InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H",
      "cmpd_inchikey": "USIUVYZYUHIAEV-UHFFFAOYSA-N",
      "OH_k298": "9.6e-12",
      "OH_uncert": "0.27",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-dodecane",
      "cmpd_mwt": "170.33",
      "cmpd_formula": "C12H26",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCCCCCCCCCC",
      "cmpd_inchi": "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3",
      "cmpd_inchikey": "SNRUBQQJIBEYMU-UHFFFAOYSA-N",
      "OH_k298": "1.31e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.12e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dibenzo-p-dioxin",
      "cmpd_mwt": "184.19",
      "cmpd_formula": "C12H8O2",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "c1ccc2c(c1)Oc1c(O2)cccc1",
      "cmpd_inchi": "InChI=1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H",
      "cmpd_inchikey": "NFBOHOGPQUYFRF-UHFFFAOYSA-N",
      "OH_k298": "4.5e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "1.7e-12",
      "OH_B": "-979",
      "OH_n": "",
      "OH_t_low": "345",
      "OH_t_high": "385",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bornyl acetate",
      "cmpd_mwt": "196.29",
      "cmpd_formula": "C12H20O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CC(=O)OC1CC2C(C1(C)CC2)(C)C",
      "cmpd_inchi": "InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",
      "cmpd_inchikey": "KGEKLUUHTZCSIP-UHFFFAOYSA-N",
      "OH_k298": "1.25e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chlorodibenzo-p-dioxin",
      "cmpd_mwt": "218.64",
      "cmpd_formula": "C12H7O2Cl",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Clc1cccc2c1Oc1ccccc1O2",
      "cmpd_inchi": "InChI=1S/C12H7ClO2/c13-8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H",
      "cmpd_inchikey": "VGGGRWRBGXENKI-UHFFFAOYSA-N",
      "OH_k298": "4.7e-12",
      "OH_uncert": "0.34",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chlorodibenzo-p-dioxin",
      "cmpd_mwt": "218.64",
      "cmpd_formula": "C12H7O2Cl",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Clc1ccc2c(c1)Oc1c(O2)cccc1",
      "cmpd_inchi": "InChI=1S/C12H7ClO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H",
      "cmpd_inchikey": "GIUGGRUEPHPVNR-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-bromo-2-phenoxybenzene",
      "cmpd_mwt": "249.1",
      "cmpd_formula": "C12H9OBr",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Brc1ccccc1Oc1ccccc1",
      "cmpd_inchi": "InChI=1S/C12H9BrO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H",
      "cmpd_inchikey": "RRWFUWRLNIZICP-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-bromo-4-phenoxybenzene",
      "cmpd_mwt": "249.1",
      "cmpd_formula": "C12H9OBr",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Brc1ccc(cc1)Oc1ccccc1",
      "cmpd_inchi": "InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H",
      "cmpd_inchikey": "JDUYPUMQALQRCN-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-bromo-3-phenoxybenzene",
      "cmpd_mwt": "249.1",
      "cmpd_formula": "C12H9OBr",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Brc1cccc(c1)Oc1ccccc1",
      "cmpd_inchi": "InChI=1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H",
      "cmpd_inchikey": "AHDAKFFMKLQPTD-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,8-dichlorodibenzo-p-dioxin",
      "cmpd_mwt": "253.08",
      "cmpd_formula": "C12H6O2Cl2",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Clc1ccc2c(c1)Oc1c(O2)ccc(c1)Cl",
      "cmpd_inchi": "InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H",
      "cmpd_inchikey": "WMWJCKBJUQDYLM-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,7-dichlorodibenzo-p-dioxin",
      "cmpd_mwt": "253.08",
      "cmpd_formula": "C12H6O2Cl2",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl",
      "cmpd_inchi": "InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H",
      "cmpd_inchikey": "NBFMTHWVRBOVPE-UHFFFAOYSA-N",
      "OH_k298": "4.41e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "6.6e-11",
      "OH_B": "806",
      "OH_n": "",
      "OH_t_low": "355",
      "OH_t_high": "395",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dichlorodibenzo-p-dioxin",
      "cmpd_mwt": "253.08",
      "cmpd_formula": "C12H6O2Cl2",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Clc1cc2Oc3ccccc3Oc2cc1Cl",
      "cmpd_inchi": "InChI=1S/C12H6Cl2O2/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H",
      "cmpd_inchikey": "YCIYTXRUZSDMRZ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,3,4-tetrachlorodibenzo-p-dioxin",
      "cmpd_mwt": "321.97",
      "cmpd_formula": "C12H4O2Cl4",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Clc1c2Oc3ccccc3Oc2c(c(c1Cl)Cl)Cl",
      "cmpd_inchi": "InChI=1S/C12H4Cl4O2/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4H",
      "cmpd_inchikey": "DJHHDLMTUOLVHY-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2’-dibromodiphenyl ether",
      "cmpd_mwt": "328",
      "cmpd_formula": "C12H8OBr2",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Brc1ccccc1Oc1ccccc1Br",
      "cmpd_inchi": "InChI=1S/C12H8Br2O/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H",
      "cmpd_inchikey": "JMSKYMHFNWGUJG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4-dibromodiphenyl ether",
      "cmpd_mwt": "328",
      "cmpd_formula": "C12H8OBr2",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Brc1ccc(c(c1)Br)Oc1ccccc1",
      "cmpd_inchi": "InChI=1S/C12H8Br2O/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H",
      "cmpd_inchikey": "JMCIHKKTRDLVCO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3’-dibromodiphenyl ether",
      "cmpd_mwt": "328",
      "cmpd_formula": "C12H8OBr2",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Brc1cccc(c1)Oc1cccc(c1)Br",
      "cmpd_inchi": "InChI=1S/C12H8Br2O/c13-9-3-1-5-11(7-9)15-12-6-2-4-10(14)8-12/h1-8H",
      "cmpd_inchikey": "ALSVFJIXSNRBLE-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4,4’-dibromodiphenyl ether",
      "cmpd_mwt": "328",
      "cmpd_formula": "C12H8OBr2",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Brc1ccc(cc1)Oc1ccc(cc1)Br",
      "cmpd_inchi": "InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H",
      "cmpd_inchikey": "YAWIAFUBXXPJMQ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,3,4,6,7,8,9-octachlorodibenzo-p-dioxin",
      "cmpd_mwt": "459.75",
      "cmpd_formula": "C12O2Cl8",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl",
      "cmpd_inchi": "InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10",
      "cmpd_inchikey": "FOIBFBMSLDGNHL-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethoxy-3,3,4,4,5-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane",
      "cmpd_mwt": "542.14",
      "cmpd_formula": "C12H5O2F19",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCOC1(OC(C(C1(F)F)(F)F)(F)C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C12H5F19O2/c1-2-32-8(4(14,11(26,27)28)12(29,30)31)6(17,18)5(15,16)7(19,33-8)3(13,9(20,21)22)10(23,24)25/h2H2,1H3",
      "cmpd_inchikey": "HJKBEHRDVJDQLU-UHFFFAOYSA-N",
      "OH_k298": "5.5e-14",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.7e-12",
      "Cl_uncert": "0.33",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "fluorene",
      "cmpd_mwt": "166.22",
      "cmpd_formula": "C13H10",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "c1ccc2c(c1)Cc1c2cccc1",
      "cmpd_inchi": "InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2",
      "cmpd_inchikey": "NIHNNTQXNPWCJQ-UHFFFAOYSA-N",
      "OH_k298": "1.31e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.3e-11",
      "OH_B": "168",
      "OH_n": "",
      "OH_t_low": "326",
      "OH_t_high": "366",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-dodecene",
      "cmpd_mwt": "182.35",
      "cmpd_formula": "C13H26",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCCCCCC(=C)C",
      "cmpd_inchi": "InChI=1S/C13H26/c1-4-5-6-7-8-9-10-11-12-13(2)3/h2,4-12H2,1,3H3",
      "cmpd_inchikey": "PWRBDKMPAZFCSV-UHFFFAOYSA-N",
      "OH_k298": "7.96e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-tridecene",
      "cmpd_mwt": "182.35",
      "cmpd_formula": "C13H26",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCCCCCCC=C",
      "cmpd_inchi": "InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3",
      "cmpd_inchikey": "VQOXUMQBYILCKR-UHFFFAOYSA-N",
      "OH_k298": "5.09e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "9.6e-18",
      "O3_uncert": "0.31",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-tridecane",
      "cmpd_mwt": "184.36",
      "cmpd_formula": "C13H28",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCCCCCCCCCCC",
      "cmpd_inchi": "InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3",
      "cmpd_inchikey": "IIYFAKIEWZDVMP-UHFFFAOYSA-N",
      "OH_k298": "1.51e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.3e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "beta-ionone",
      "cmpd_mwt": "192.3",
      "cmpd_formula": "C13H20O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC(=O)/C=C/C1=C(C)CCCC1(C)C",
      "cmpd_inchi": "InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",
      "cmpd_inchikey": "PSQYTAPXSHCGMF-BQYQJAHWSA-N",
      "OH_k298": "1.21e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.2e-17",
      "O3_uncert": "0.32",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.4e-12",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "anthracene",
      "cmpd_mwt": "178.23",
      "cmpd_formula": "C14H10",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "c1ccc2c(c1)cc1c(c2)cccc1",
      "cmpd_inchi": "InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H",
      "cmpd_inchikey": "MWPLVEDNUUSJAV-UHFFFAOYSA-N",
      "OH_k298": "1.17e-10",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1.92e-10",
      "OH_B": "151",
      "OH_n": "-2.02",
      "OH_t_low": "235",
      "OH_t_high": "673",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "phenanthrene",
      "cmpd_mwt": "178.23",
      "cmpd_formula": "C14H10",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "c1ccc2c(c1)c1ccccc1cc2",
      "cmpd_inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H",
      "cmpd_inchikey": "YNPNZTXNASCQKK-UHFFFAOYSA-N",
      "OH_k298": "2.4e-11",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.3e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "9,10-dihydroanthracene",
      "cmpd_mwt": "180.25",
      "cmpd_formula": "C14H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "c1ccc2c(c1)Cc1c(C2)cccc1",
      "cmpd_inchi": "InChI=1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10H2",
      "cmpd_inchikey": "WPDAVTSOEQEGMS-UHFFFAOYSA-N",
      "OH_k298": "2.12e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.2e-12",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-7-tetradecene",
      "cmpd_mwt": "196.37",
      "cmpd_formula": "C14H28",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CCCCCC/C=C/CCCCCC",
      "cmpd_inchi": "InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3/b14-13+",
      "cmpd_inchikey": "UBDIXSAEHLOROW-BUHFOSPRSA-N",
      "OH_k298": "7.47e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-tridecene",
      "cmpd_mwt": "196.37",
      "cmpd_formula": "C14H28",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCCCCCCC(=C)C",
      "cmpd_inchi": "InChI=1S/C14H28/c1-4-5-6-7-8-9-10-11-12-13-14(2)3/h2,4-13H2,1,3H3",
      "cmpd_inchikey": "VNBHQOHLCULRDN-UHFFFAOYSA-N",
      "OH_k298": "8.38e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.85e-17",
      "O3_uncert": "0.14",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.1e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-tetradecene",
      "cmpd_mwt": "196.37",
      "cmpd_formula": "C14H28",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCCCCCCCCCCCC=C",
      "cmpd_inchi": "InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3",
      "cmpd_inchikey": "HFDVRLIODXPAHB-UHFFFAOYSA-N",
      "OH_k298": "4.96e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "9.7e-18",
      "O3_uncert": "0.31",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.8e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-tetradecane",
      "cmpd_mwt": "198.39",
      "cmpd_formula": "C14H30",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCCCCCCCCCCCC",
      "cmpd_inchi": "InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3",
      "cmpd_inchikey": "BGHCVCJVXZWKCC-UHFFFAOYSA-N",
      "OH_k298": "1.67e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.68e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "alloisolongifolene",
      "cmpd_mwt": "204.35",
      "cmpd_formula": "C15H24",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC(=C)[C@]12CCC[C@]3([C@@H]2CC[C@]3(C1)C)C",
      "cmpd_inchi": "InChI=1S/C15H24/c1-11(2)15-8-5-7-14(4)12(15)6-9-13(14,3)10-15/h12H,1,5-10H2,2-4H3/t12-,13-,14-,15-/m0/s1",
      "cmpd_inchikey": "MTBNHGFRLZSOTC-AJNGGQMLSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.4e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.8",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "alpha-farnesene",
      "cmpd_mwt": "204.35",
      "cmpd_formula": "C15H24",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=CC(=CCC=C(CCC=C(C)C)C)C",
      "cmpd_inchi": "InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3",
      "cmpd_inchikey": "CXENHBSYCFFKJS-UHFFFAOYSA-N",
      "OH_k298": "2.2e-10",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.9e-16",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "3.5e-12",
      "O3_B": "2590",
      "O3_n": "",
      "O3_t_low": "290",
      "O3_t_high": "320",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "beta-farnesene",
      "cmpd_mwt": "204.35",
      "cmpd_formula": "C15H24",
      "cmpd_type": "acyclic di-/polyalkene",
      "cmpd_smiles": "C=CC(=C)CCC=C(CCC=C(C)C)C",
      "cmpd_inchi": "InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3",
      "cmpd_inchikey": "JSNRRGGBADWTMC-UHFFFAOYSA-N",
      "OH_k298": "2.3e-10",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "2.3e-10",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "313",
      "OH_t_high": "423",
      "O3_k298": "5.6e-16",
      "O3_uncert": "",
      "O3_u_fac": "1.8",
      "O3_A": "1.5e-12",
      "O3_B": "2350",
      "O3_n": "",
      "O3_t_low": "290",
      "O3_t_high": "320",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "alpha-copaene",
      "cmpd_mwt": "204.35",
      "cmpd_formula": "C15H24",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC(C1CCC2(C3C1C2C(=CC3)C)C)C",
      "cmpd_inchi": "InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3",
      "cmpd_inchikey": "VLXDPFLIRFYIME-UHFFFAOYSA-N",
      "OH_k298": "9e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.5e-16",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.6e-11",
      "NO3_uncert": "",
      "NO3_u_fac": "1.8",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isolongifolene",
      "cmpd_mwt": "204.35",
      "cmpd_formula": "C15H24",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1(C)C2CCC3(C1=CCCC3(C)C)C2",
      "cmpd_inchi": "InChI=1S/C15H24/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h6,11H,5,7-10H2,1-4H3",
      "cmpd_inchikey": "CQUAYTJDLQBXCQ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1e-17",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.9e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.8",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "longifolene",
      "cmpd_mwt": "204.35",
      "cmpd_formula": "C15H24",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "C=C1C2CCC3C1(C)CCCC(C23)(C)C",
      "cmpd_inchi": "InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3",
      "cmpd_inchikey": "PDSNLYSELAIEBU-UHFFFAOYSA-N",
      "OH_k298": "4.7e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.8e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.8",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "alpha-humulene",
      "cmpd_mwt": "204.35",
      "cmpd_formula": "C15H24",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "CC1=CCC(C)(C)C=CCC(=CCC1)C",
      "cmpd_inchi": "InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3",
      "cmpd_inchikey": "FAMPSKZZVDUYOS-UHFFFAOYSA-N",
      "OH_k298": "2.9e-10",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.2e-14",
      "O3_uncert": "",
      "O3_u_fac": "1.4",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.5e-11",
      "NO3_uncert": "",
      "NO3_u_fac": "1.8",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "alpha-neoclovene",
      "cmpd_mwt": "204.35",
      "cmpd_formula": "C15H24",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1=CCC[C@@]2(C31CC[C@H]2C(C3)(C)C)C",
      "cmpd_inchi": "InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12-,14-,15?/m0/s1",
      "cmpd_inchikey": "ZCJQJJWNFDNQGZ-XRJCJLGXSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8.25e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.8",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "beta-caryophyllene",
      "cmpd_mwt": "204.35",
      "cmpd_formula": "C15H24",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "CC1=CCCC(=C)C2C(CC1)C(C2)(C)C",
      "cmpd_inchi": "InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3",
      "cmpd_inchikey": "NPNUFJAVOOONJE-UHFFFAOYSA-N",
      "OH_k298": "2e-10",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.2e-14",
      "O3_uncert": "",
      "O3_u_fac": "1.4",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.9e-11",
      "NO3_uncert": "",
      "NO3_u_fac": "1.8",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "valencene",
      "cmpd_mwt": "204.35",
      "cmpd_formula": "C15H24",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "CC(=C)C1CCC2=CCCC(C2(C1)C)C",
      "cmpd_inchi": "InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3",
      "cmpd_inchikey": "QEBNYNLSCGVZOH-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.5e-17",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "7.9e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.8",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "alpha-cedrene",
      "cmpd_mwt": "204.35",
      "cmpd_formula": "C15H24",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC1=CCC23CC1C(C)(C)C2CCC3C",
      "cmpd_inchi": "InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3",
      "cmpd_inchikey": "IRAQOCYXUMOFCW-UHFFFAOYSA-N",
      "OH_k298": "6.7e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.8e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8.2e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.8",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-pentadecane",
      "cmpd_mwt": "212.41",
      "cmpd_formula": "C15H32",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCCCCCCCCCCCCC",
      "cmpd_inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3",
      "cmpd_inchikey": "YCOZIPAWZNQLMR-UHFFFAOYSA-N",
      "OH_k298": "1.92e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "fluoranthene",
      "cmpd_mwt": "202.25",
      "cmpd_formula": "C16H10",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "c1ccc2c(c1)c1cccc3c1c2ccc3",
      "cmpd_inchi": "InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H",
      "cmpd_inchikey": "GVEPBJHOBDJJJI-UHFFFAOYSA-N",
      "OH_k298": "1.43e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "2.73e-10",
      "OH_B": "878",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "330",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-hexadecane",
      "cmpd_mwt": "226.44",
      "cmpd_formula": "C16H34",
      "cmpd_type": "normal alkane",
      "cmpd_smiles": "CCCCCCCCCCCCCCCC",
      "cmpd_inchi": "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3",
      "cmpd_inchikey": "DCAYPVUWAIABOU-UHFFFAOYSA-N",
      "OH_k298": "2.16e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "boisvelone",
      "cmpd_mwt": "234.38",
      "cmpd_formula": "C16H26O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC(=O)C1(C)CC2=C(CC1C)CCCC2(C)C",
      "cmpd_inchi": "InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3",
      "cmpd_inchikey": "FVUGZKDGWGKCFE-UHFFFAOYSA-N",
      "OH_k298": "9.9e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.31e-18",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.7e-11",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "acetyl cedrene",
      "cmpd_mwt": "246.39",
      "cmpd_formula": "C17H26O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC(=O)/C=C\\1/CC[C@@H]2[C@]31CC[C@H]([C@@H](C3)C2(C)C)C",
      "cmpd_inchi": "InChI=1S/C17H26O/c1-11-7-8-17-10-14(11)16(3,4)15(17)6-5-13(17)9-12(2)18/h9,11,14-15H,5-8,10H2,1-4H3/b13-9-/t11-,14-,15+,17-/m1/s1",
      "cmpd_inchikey": "WXETUDXXEZHSCS-MAVITOTKSA-N",
      "OH_k298": "7.7e-11",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.2e-15",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "acetylcedrene",
      "cmpd_mwt": "246.39",
      "cmpd_formula": "C17H26O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC(=O)C1=C(C)C2CC3(C1)C(C)CCC3C2(C)C",
      "cmpd_inchi": "InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3",
      "cmpd_inchikey": "YBUIAJZFOGJGLJ-UHFFFAOYSA-N",
      "OH_k298": "7.7e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.2e-18",
      "O3_uncert": "0.41",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "galaxolide",
      "cmpd_mwt": "258.4",
      "cmpd_formula": "C18H26O",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C",
      "cmpd_inchi": "InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3",
      "cmpd_inchikey": "ONKNPOPIGWHAQC-UHFFFAOYSA-N",
      "OH_k298": "2.6e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4-diethylhexane",
      "cmpd_mwt": "142.28",
      "cmpd_formula": "C10H22",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCC(C(CC)CC)CC",
      "cmpd_inchi": "InChI=1S/C10H22/c1-5-9(6-2)10(7-3)8-4/h9-10H,5-8H2,1-4H3",
      "cmpd_inchikey": "VBZCRMTUDYIWIH-UHFFFAOYSA-N",
      "OH_k298": "6.92e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dimethylpentane",
      "cmpd_mwt": "100.2",
      "cmpd_formula": "C7H16",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCCC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3",
      "cmpd_inchikey": "CXOWYJMDMMMMJO-UHFFFAOYSA-N",
      "OH_k298": "3.4e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dimethylhexane",
      "cmpd_mwt": "114.23",
      "cmpd_formula": "C8H18",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCCCC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3",
      "cmpd_inchikey": "FLTJDUOFAQWHDF-UHFFFAOYSA-N",
      "OH_k298": "4.8e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methyloctane",
      "cmpd_mwt": "128.26",
      "cmpd_formula": "C9H20",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCCCC(CCC)C",
      "cmpd_inchi": "InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3",
      "cmpd_inchikey": "DOGIHOCMZJUJNR-UHFFFAOYSA-N",
      "OH_k298": "9.7e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3,5-trimethylhexane",
      "cmpd_mwt": "128.26",
      "cmpd_formula": "C9H20",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CC(CC(C(C)C)C)C",
      "cmpd_inchi": "InChI=1S/C9H20/c1-7(2)6-9(5)8(3)4/h7-9H,6H2,1-5H3",
      "cmpd_inchikey": "ODGLTLJZCVNPBU-UHFFFAOYSA-N",
      "OH_k298": "7.9e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyloctane",
      "cmpd_mwt": "128.26",
      "cmpd_formula": "C9H20",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCCCCCC(C)C",
      "cmpd_inchi": "InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3",
      "cmpd_inchikey": "ZUBZATZOEPUUQF-UHFFFAOYSA-N",
      "OH_k298": "1.01e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,3-trimethylcyclohexane",
      "cmpd_mwt": "126.24",
      "cmpd_formula": "C9H18",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CC1CCCC(C1)(C)C",
      "cmpd_inchi": "InChI=1S/C9H18/c1-8-5-4-6-9(2,3)7-8/h8H,4-7H2,1-3H3",
      "cmpd_inchikey": "PYOLJOJPIPCRDP-UHFFFAOYSA-N",
      "OH_k298": "8.7e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-chloro-2-(chloromethyl)-1-propene",
      "cmpd_mwt": "125",
      "cmpd_formula": "C4H6Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClCC(=C)CCl",
      "cmpd_inchi": "InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2",
      "cmpd_inchikey": "XJFZOSUFGSANIF-UHFFFAOYSA-N",
      "OH_k298": "3.16e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.9e-19",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylnonane",
      "cmpd_mwt": "142.28",
      "cmpd_formula": "C10H22",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCCCCCCC(C)C",
      "cmpd_inchi": "InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3",
      "cmpd_inchikey": "SGVYKUFIHHTIFL-UHFFFAOYSA-N",
      "OH_k298": "1.28e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,6-dimethyloctane",
      "cmpd_mwt": "142.28",
      "cmpd_formula": "C10H22",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCC(CCCC(C)C)C",
      "cmpd_inchi": "InChI=1S/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3",
      "cmpd_inchikey": "ZALHPSXXQIPKTQ-UHFFFAOYSA-N",
      "OH_k298": "1.29e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-hexylcyclohexane",
      "cmpd_mwt": "168.32",
      "cmpd_formula": "C12H24",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CCCCCCC1CCCCC1",
      "cmpd_inchi": "InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3",
      "cmpd_inchikey": "QHWAQXOSHHKCFK-UHFFFAOYSA-N",
      "OH_k298": "1.78e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.28e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-octanol",
      "cmpd_mwt": "130.23",
      "cmpd_formula": "C8H18O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCCCC(CC)O",
      "cmpd_inchi": "InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3",
      "cmpd_inchikey": "NMRPBPVERJPACX-UHFFFAOYSA-N",
      "OH_k298": "3.14e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-octanol",
      "cmpd_mwt": "130.23",
      "cmpd_formula": "C8H18O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCCC(CCC)O",
      "cmpd_inchi": "InChI=1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3",
      "cmpd_inchikey": "WOFPPJOZXUTRAU-UHFFFAOYSA-N",
      "OH_k298": "2.87e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-octanol",
      "cmpd_mwt": "130.23",
      "cmpd_formula": "C8H18O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCCCCC(O)C",
      "cmpd_inchi": "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3",
      "cmpd_inchikey": "SJWFXCIHNDVPSH-UHFFFAOYSA-N",
      "OH_k298": "2.52e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methoxy-2-propyl acetate",
      "cmpd_mwt": "132.16",
      "cmpd_formula": "C6H12O3",
      "cmpd_type": "alcohol or glycol ether ester",
      "cmpd_smiles": "COCC(OC(=O)C)C",
      "cmpd_inchi": "InChI=1S/C6H12O3/c1-5(4-8-3)9-6(2)7/h5H,4H2,1-3H3",
      "cmpd_inchikey": "LLHKCFNBLRBOGN-UHFFFAOYSA-N",
      "OH_k298": "1.44e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.01e-12",
      "OH_B": "-588",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.98e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methoxy-2-propanone",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "COCC(=O)C",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3",
      "cmpd_inchikey": "CUZLJOLBIRPEFB-UHFFFAOYSA-N",
      "OH_k298": "6.59e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.07e-10",
      "Cl_uncert": "0.22",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propylene carbonate",
      "cmpd_mwt": "102.09",
      "cmpd_formula": "C4H6O3",
      "cmpd_type": "ester",
      "cmpd_smiles": "CC1COC(=O)O1",
      "cmpd_inchi": "InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3",
      "cmpd_inchikey": "RUOJZAUFBMNUDX-UHFFFAOYSA-N",
      "OH_k298": "2.52e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.77e-11",
      "Cl_uncert": "0.24",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropyl methyl carbonate",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "ester",
      "cmpd_smiles": "COC(=O)OC(C)C",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-4(2)8-5(6)7-3/h4H,1-3H3",
      "cmpd_inchikey": "RCIJMMSZBQEWKW-UHFFFAOYSA-N",
      "OH_k298": "2.55e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "E 1,3-dichloropropene",
      "cmpd_mwt": "110.97",
      "cmpd_formula": "C3H4Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClC/C=C/Cl",
      "cmpd_inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+",
      "cmpd_inchikey": "UOORRWUZONOOLO-OWOJBTEDSA-N",
      "OH_k298": "1.44e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "6.7e-19",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.5e-15",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1,3-dichloro-1-propene",
      "cmpd_mwt": "110.97",
      "cmpd_formula": "C3H4Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClC/C=C\\Cl",
      "cmpd_inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-",
      "cmpd_inchikey": "UOORRWUZONOOLO-UPHRSURJSA-N",
      "OH_k298": "8.45e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.5e-19",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylamine",
      "cmpd_mwt": "31.06",
      "cmpd_formula": "CH5N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CN",
      "cmpd_inchi": "InChI=1S/CH5N/c1-2/h2H2,1H3",
      "cmpd_inchikey": "BAVYZALUXZFZLV-UHFFFAOYSA-N",
      "OH_k298": "2.2e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.02e-11",
      "OH_B": "-228.9653784219",
      "OH_n": "",
      "OH_t_low": "299",
      "OH_t_high": "426",
      "O3_k298": "7.4e-21",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.9e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "2.9e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "274",
      "Cl_t_high": "435"
    },
    {
      "cmpd_name": "dimethylamine",
      "cmpd_mwt": "45.08",
      "cmpd_formula": "C2H7N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CNC",
      "cmpd_inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3",
      "cmpd_inchikey": "ROSDSFDQCJNGOL-UHFFFAOYSA-N",
      "OH_k298": "6.82e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.98e-11",
      "OH_B": "-246.578099838969",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "426",
      "O3_k298": "1.67e-18",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.89e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "3.89e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "274",
      "Cl_t_high": "435"
    },
    {
      "cmpd_name": "ethylamine",
      "cmpd_mwt": "45.08",
      "cmpd_formula": "C2H7N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CCN",
      "cmpd_inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3",
      "cmpd_inchikey": "QUSNBJAOOMFDIB-UHFFFAOYSA-N",
      "OH_k298": "2.77e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.47e-11",
      "OH_B": "-188.707729468599",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "426",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trimethylamine",
      "cmpd_mwt": "59.11",
      "cmpd_formula": "C3H9N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CN(C)C",
      "cmpd_inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3",
      "cmpd_inchikey": "GETQZCLCWQTVFV-UHFFFAOYSA-N",
      "OH_k298": "5.6e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.4e-11",
      "OH_B": "-251.610305958132",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "426",
      "O3_k298": "7.84e-18",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.68e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "3.68e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "274",
      "Cl_t_high": "435"
    },
    {
      "cmpd_name": "2-butenedial",
      "cmpd_mwt": "84.07",
      "cmpd_formula": "C4H4O2",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=CC=CC=O",
      "cmpd_inchi": "InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H",
      "cmpd_inchikey": "JGEMYUOFGVHXKV-UHFFFAOYSA-N",
      "OH_k298": "5.29e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.6e-18",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tert-butylamine",
      "cmpd_mwt": "73.14",
      "cmpd_formula": "C4H11N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CC(N)(C)C",
      "cmpd_inchi": "InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3",
      "cmpd_inchikey": "YBRBMKDOPFTVDT-UHFFFAOYSA-N",
      "OH_k298": "1.23e-11",
      "OH_uncert": "0.34",
      "OH_u_fac": "",
      "OH_A": "5.35e-12",
      "OH_B": "-247",
      "OH_n": "",
      "OH_t_low": "293",
      "OH_t_high": "500",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "perfluorocyclobutene",
      "cmpd_mwt": "162.03",
      "cmpd_formula": "C4F6",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC1=C(F)C(C1(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4F6/c5-1-2(6)4(9,10)3(1,7)8",
      "cmpd_inchikey": "QVHWOZCZUNPZPW-UHFFFAOYSA-N",
      "OH_k298": "8.6e-14",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "perfluorocyclopentene",
      "cmpd_mwt": "212.04",
      "cmpd_formula": "C5F8",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC1=C(F)C(C(C1(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5F8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9",
      "cmpd_inchikey": "YBMDPYAEZDJWNY-UHFFFAOYSA-N",
      "OH_k298": "4.67e-14",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "3.52e-13",
      "OH_B": "602.625629395375",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2,2-dimethylhex-3-ene",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CC/C=C/C(C)(C)C",
      "cmpd_inchi": "InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+",
      "cmpd_inchikey": "JPLZSSHKQZJYTJ-VOTSOKGWSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4e-17",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2,5-dimethylhex-3-ene",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CC(/C=C/C(C)C)C",
      "cmpd_inchi": "InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3/b6-5+",
      "cmpd_inchikey": "KNCMKWVOMRUHKZ-AATRIKPKSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.8e-17",
      "O3_uncert": "0.29",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-hexene-2,5-dione",
      "cmpd_mwt": "112.13",
      "cmpd_formula": "C6H8O2",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC(=O)C=CC(=O)C",
      "cmpd_inchi": "InChI=1S/C6H8O2/c1-5(7)3-4-6(2)8/h3-4H,1-2H3",
      "cmpd_inchikey": "OTSKZNVDZOOHRX-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.8e-18",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hydrogen peroxide",
      "cmpd_mwt": "34.01",
      "cmpd_formula": "H2O2",
      "cmpd_type": "inorganic cmpd.",
      "cmpd_smiles": "OO",
      "cmpd_inchi": "InChI=1S/H2O2/c1-2/h1-2H",
      "cmpd_inchikey": "MHAJPDPJQMAIIY-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.1e-13",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "1.1e-11",
      "Cl_B": "980",
      "Cl_n": "",
      "Cl_t_low": "260",
      "Cl_t_high": "430"
    },
    {
      "cmpd_name": "hydrogen sulfide",
      "cmpd_mwt": "34.08",
      "cmpd_formula": "H2S",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "S",
      "cmpd_inchi": "InChI=1S/H2S/h1H2",
      "cmpd_inchikey": "RWSOTUBLDIXVET-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.4e-11",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "3.7e-11",
      "Cl_B": "-208",
      "Cl_n": "",
      "Cl_t_low": "200",
      "Cl_t_high": "430"
    },
    {
      "cmpd_name": "methanethiol",
      "cmpd_mwt": "48.11",
      "cmpd_formula": "CH4S",
      "cmpd_type": "mercaptan",
      "cmpd_smiles": "CS",
      "cmpd_inchi": "InChI=1S/CH4S/c1-2/h2H,1H3",
      "cmpd_inchikey": "LSDPWZHWYPCBBB-UHFFFAOYSA-N",
      "OH_k298": "3.5e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "9.21e-12",
      "OH_B": "-397.544283413849",
      "OH_n": "",
      "OH_t_low": "299",
      "OH_t_high": "426",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.2e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.4",
      "NO3_A": "9.2e-13",
      "NO3_B": "0",
      "NO3_n": "",
      "NO3_t_low": "250",
      "NO3_t_high": "370",
      "Cl_k298": "2e-10",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "1.2e-10",
      "Cl_B": "-150",
      "Cl_n": "",
      "Cl_t_low": "190",
      "Cl_t_high": "430"
    },
    {
      "cmpd_name": "carbonyl sulfide",
      "cmpd_mwt": "60.08",
      "cmpd_formula": "COS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "O=C=S",
      "cmpd_inchi": "InChI=1S/COS/c2-1-3",
      "cmpd_inchikey": "JJWKPURADFRFRB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl hypochlorite",
      "cmpd_mwt": "66.49",
      "cmpd_formula": "CH3OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "COCl",
      "cmpd_inchi": "InChI=1S/CH3ClO/c1-3-2/h1H3",
      "cmpd_inchikey": "UCFFGYASXIPWPD-UHFFFAOYSA-N",
      "OH_k298": "7e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "2.4e-12",
      "OH_B": "360",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "314",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.1e-11",
      "Cl_uncert": "0.26",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "carbon disulfide",
      "cmpd_mwt": "76.14",
      "cmpd_formula": "CS2",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "S=C=S",
      "cmpd_inchi": "InChI=1S/CS2/c2-1-3",
      "cmpd_inchikey": "QGJOPFRUJISHPQ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "acetonitrile",
      "cmpd_mwt": "41.05",
      "cmpd_formula": "C2H3N",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "CC#N",
      "cmpd_inchi": "InChI=1S/C2H3N/c1-2-3/h1H3",
      "cmpd_inchikey": "WEVYAHXRMPXWCK-UHFFFAOYSA-N",
      "OH_k298": "2.2e-14",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "8.1e-13",
      "OH_B": "1080",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "390",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.2e-14",
      "Cl_uncert": "",
      "Cl_u_fac": "2",
      "Cl_A": "1.6e-11",
      "Cl_B": "2140",
      "Cl_n": "",
      "Cl_t_low": "270",
      "Cl_t_high": "350"
    },
    {
      "cmpd_name": "dimethyl sulfide",
      "cmpd_mwt": "62.13",
      "cmpd_formula": "C2H6S",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "CSC",
      "cmpd_inchi": "InChI=1S/C2H6S/c1-3-2/h1-2H3",
      "cmpd_inchikey": "QMMFVYPAHWMCMS-UHFFFAOYSA-N",
      "OH_k298": "7e-12",
      "OH_uncert": "",
      "OH_u_fac": "2",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.1e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.4",
      "NO3_A": "1.9e-13",
      "NO3_B": "-520",
      "NO3_n": "",
      "NO3_t_low": "250",
      "NO3_t_high": "380",
      "Cl_k298": "3.5e-10",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "3.5e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "240",
      "Cl_t_high": "356"
    },
    {
      "cmpd_name": "dimethyl sulfoxide",
      "cmpd_mwt": "78.13",
      "cmpd_formula": "C2H6OS",
      "cmpd_type": "sulfoxide",
      "cmpd_smiles": "CS(=O)C",
      "cmpd_inchi": "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3",
      "cmpd_inchikey": "IAZDPXIOMUYVGZ-UHFFFAOYSA-N",
      "OH_k298": "5.9e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "1.75",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-11",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "1.4e-11",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "270",
      "Cl_t_high": "571"
    },
    {
      "cmpd_name": "1-chloro-2-fluoroethene",
      "cmpd_mwt": "80.49",
      "cmpd_formula": "C2H2FCl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "FC=CCl",
      "cmpd_inchi": "InChI=1S/C2H2ClF/c3-1-2-4/h1-2H",
      "cmpd_inchikey": "MTKHTBWXSHYCGS-UHFFFAOYSA-N",
      "OH_k298": "6.3e-12",
      "OH_uncert": "0.19",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-10",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chloro(methoxy)methane",
      "cmpd_mwt": "80.51",
      "cmpd_formula": "C2H5OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COCCl",
      "cmpd_inchi": "InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3",
      "cmpd_inchikey": "XJUZRXYOEPSWMB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.8e-11",
      "Cl_uncert": "0.36",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylsulfonylmethane",
      "cmpd_mwt": "94.13",
      "cmpd_formula": "C2H6O2S",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CS(=O)(=O)C",
      "cmpd_inchi": "InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3",
      "cmpd_inchikey": "HHVIBTZHLRERCL-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.4e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethyl disulfide",
      "cmpd_mwt": "94.2",
      "cmpd_formula": "C2H6S2",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "CSSC",
      "cmpd_inchi": "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3",
      "cmpd_inchikey": "WQOXQRCZOLPYPM-UHFFFAOYSA-N",
      "OH_k298": "2.3e-10",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "7e-11",
      "OH_B": "-350",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "7e-13",
      "NO3_uncert": "",
      "NO3_u_fac": "2",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.7e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dichloro(methoxy)methane",
      "cmpd_mwt": "114.96",
      "cmpd_formula": "C2H4OCl2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3",
      "cmpd_inchikey": "GRTGGSXWHGKRSB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.9e-13",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bromo(methoxy)methane",
      "cmpd_mwt": "124.96",
      "cmpd_formula": "C2H5OBr",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COCBr",
      "cmpd_inchi": "InChI=1S/C2H5BrO/c1-4-2-3/h2H2,1H3",
      "cmpd_inchikey": "JAMFGQBENKSWOF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.6e-11",
      "Cl_uncert": "0.38",
      "Cl_u_fac": "",
      "Cl_A": "2.6e-11",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "(E/Z)-1,2-dichloro-1,2-difluoroethene",
      "cmpd_mwt": "132.92",
      "cmpd_formula": "C2F2Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "FC(=C(Cl)F)Cl",
      "cmpd_inchi": "InChI=1S/C2Cl2F2/c3-1(5)2(4)6",
      "cmpd_inchikey": "UPVJEODAZWTJKZ-UHFFFAOYSA-N",
      "OH_k298": "1.6e-12",
      "OH_uncert": "0.13",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.4e-11",
      "Cl_uncert": "0.24",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1-dichloro-2,2-difluoroethene",
      "cmpd_mwt": "132.92",
      "cmpd_formula": "C2F2Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "FC(=C(Cl)Cl)F",
      "cmpd_inchi": "InChI=1S/C2Cl2F2/c3-1(4)2(5)6",
      "cmpd_inchikey": "QDGONURINHVBEW-UHFFFAOYSA-N",
      "OH_k298": "5e-12",
      "OH_uncert": "0.14",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.7e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1-dichloro-2,2-difluoroethane",
      "cmpd_mwt": "134.94",
      "cmpd_formula": "C2H2F2Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(Cl)Cl)F",
      "cmpd_inchi": "InChI=1S/C2H2Cl2F2/c3-1(4)2(5)6/h1-2H",
      "cmpd_inchikey": "VLIDBBNDBSNADN-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "8.3e-11",
      "Cl_B": "3270",
      "Cl_n": "",
      "Cl_t_low": "503",
      "Cl_t_high": "773"
    },
    {
      "cmpd_name": "1,1,1,2-tetrachloroethane",
      "cmpd_mwt": "167.85",
      "cmpd_formula": "C2H2Cl4",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClCC(Cl)(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2",
      "cmpd_inchikey": "QVLAWKAXOMEXPM-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.7e-14",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "iodo(methoxy)methane",
      "cmpd_mwt": "171.96",
      "cmpd_formula": "C2H5OI",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COCI",
      "cmpd_inchi": "InChI=1S/C2H5IO/c1-4-2-3/h2H2,1H3",
      "cmpd_inchikey": "UUSXSNJAQDJKCG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.9e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "1.5e-12",
      "Cl_B": "-750",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "2-fluoropropene",
      "cmpd_mwt": "60.07",
      "cmpd_formula": "C3H5F",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "CC(=C)F",
      "cmpd_inchi": "InChI=1S/C3H5F/c1-3(2)4/h1H2,2H3",
      "cmpd_inchikey": "NGOCAPPEAVAHQM-UHFFFAOYSA-N",
      "OH_k298": "1.63e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "3.14e-12",
      "OH_B": "-490",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.64e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(methylthio)ethane",
      "cmpd_mwt": "76.16",
      "cmpd_formula": "C3H8S",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "CSCC",
      "cmpd_inchi": "InChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3",
      "cmpd_inchikey": "WXEHBUMAEPOYKP-UHFFFAOYSA-N",
      "OH_k298": "1.11e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.5e-12",
      "NO3_uncert": "",
      "NO3_u_fac": "1.5",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.8e-10",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-difluoropropane",
      "cmpd_mwt": "80.08",
      "cmpd_formula": "C3H6F2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "CC(F)(F)C",
      "cmpd_inchi": "InChI=1S/C3H6F2/c1-3(2,4)5/h1-2H3",
      "cmpd_inchikey": "YZXSQDNPKVBDOG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.7e-14",
      "Cl_uncert": "0.12",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "formyl acetate",
      "cmpd_mwt": "88.06",
      "cmpd_formula": "C3H4O3",
      "cmpd_type": "ester",
      "cmpd_smiles": "O=COC(=O)C",
      "cmpd_inchi": "InChI=1S/C3H4O3/c1-3(5)6-2-4/h2H,1H3",
      "cmpd_inchikey": "ORWKVZNEPHTCQE-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1e-13",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dichloropropane",
      "cmpd_mwt": "112.99",
      "cmpd_formula": "C3H6Cl2",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "ClCC(Cl)C",
      "cmpd_inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3",
      "cmpd_inchikey": "KNKRKFALVUDBJE-UHFFFAOYSA-N",
      "OH_k298": "4.6e-13",
      "OH_uncert": "0.13",
      "OH_u_fac": "",
      "OH_A": "2.1e-12",
      "OH_B": "453",
      "OH_n": "",
      "OH_t_low": "233",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.9e-12",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1-trifluoro-2-propanol",
      "cmpd_mwt": "114.07",
      "cmpd_formula": "C3H5OF3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CC(C(F)(F)F)O",
      "cmpd_inchi": "InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3",
      "cmpd_inchikey": "GILIYJDBJZWGBG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.5e-12",
      "Cl_uncert": "0.27",
      "Cl_u_fac": "",
      "Cl_A": "1.2e-12",
      "Cl_B": "-394",
      "Cl_n": "",
      "Cl_t_low": "269",
      "Cl_t_high": "376"
    },
    {
      "cmpd_name": "1,3-dichloroacetone",
      "cmpd_mwt": "126.97",
      "cmpd_formula": "C3H4OCl2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "ClCC(=O)CCl",
      "cmpd_inchi": "InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2",
      "cmpd_inchikey": "SUNMBRGCANLOEG-UHFFFAOYSA-N",
      "OH_k298": "5.2e-13",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.5e-13",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,3,3,3-pentafluoro-1-propene",
      "cmpd_mwt": "132.03",
      "cmpd_formula": "C3HF5",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC=C(C(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3HF5/c4-1-2(5)3(6,7)8/h1H",
      "cmpd_inchikey": "DMUPYMORYHFFCT-UHFFFAOYSA-N",
      "OH_k298": "2.62e-12",
      "OH_uncert": "0.29",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.2e-18",
      "NO3_uncert": "0.12",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "peroxypropionyl nitrate",
      "cmpd_mwt": "135.08",
      "cmpd_formula": "C3H5NO5",
      "cmpd_type": "PAN compound",
      "cmpd_smiles": "[O-][N+](=O)OOC(=O)CC",
      "cmpd_inchi": "InChI=1S/C3H5NO5/c1-2-3(5)8-9-4(6)7/h2H2,1H3",
      "cmpd_inchikey": "TXINBPKSWKFMNB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-12",
      "Cl_uncert": "",
      "Cl_u_fac": "2",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "fluorocarbonyloxy methyl carbonate",
      "cmpd_mwt": "138.05",
      "cmpd_formula": "C3H3O5F",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "COC(=O)OOC(=O)F",
      "cmpd_inchi": "InChI=1S/C3H3FO5/c1-7-3(6)9-8-2(4)5/h1H3",
      "cmpd_inchikey": "UKPFACORPBECSH-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4e-14",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl chlorodifluoroacetate",
      "cmpd_mwt": "144.5",
      "cmpd_formula": "C3H3O2F2Cl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(=O)C(Cl)(F)F",
      "cmpd_inchi": "InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3",
      "cmpd_inchikey": "AWUPLMYXZJKHEG-UHFFFAOYSA-N",
      "OH_k298": "9.86e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.8e-14",
      "Cl_uncert": "0.45",
      "Cl_u_fac": "",
      "Cl_A": "9.6e-12",
      "Cl_B": "1363",
      "Cl_n": "",
      "Cl_t_low": "287",
      "Cl_t_high": "313"
    },
    {
      "cmpd_name": "difluoromethyl trifluoroacetate",
      "cmpd_mwt": "164.03",
      "cmpd_formula": "C3HO2F5",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(=O)C(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3HF5O2/c4-2(5)10-1(9)3(6,7)8/h2H",
      "cmpd_inchikey": "ZILXNWLFZFJCIF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,3,3-heptafluoropropane",
      "cmpd_mwt": "170.03",
      "cmpd_formula": "C3HF7",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(C(F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3HF7/c4-1(5)2(6,7)3(8,9)10/h1H",
      "cmpd_inchikey": "UKACHOXRXFQJFN-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.4e-16",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chloromethyl fluoroformyl peroxycarbonate",
      "cmpd_mwt": "172.5",
      "cmpd_formula": "C3H2O5FCl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "ClCOC(=O)OOC(=O)F",
      "cmpd_inchi": "InChI=1S/C3H2ClFO5/c4-1-8-3(7)10-9-2(5)6/h1H2",
      "cmpd_inchikey": "FKPMCIRKOCGHGA-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.2e-14",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dichloro-1,1,1,2-tetrafluoropropane",
      "cmpd_mwt": "184.95",
      "cmpd_formula": "C3H2F4Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClCC(C(F)(F)F)(Cl)F",
      "cmpd_inchi": "InChI=1S/C3H2Cl2F4/c4-1-2(5,6)3(7,8)9/h1H2",
      "cmpd_inchikey": "LOCOMRPWMOCMPV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.9e-15",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "8.2e-12",
      "Cl_B": "2047",
      "Cl_n": "",
      "Cl_t_low": "300",
      "Cl_t_high": "462"
    },
    {
      "cmpd_name": "2,3-dihydrofuran",
      "cmpd_mwt": "70.09",
      "cmpd_formula": "C4H6O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "C1CC=CO1",
      "cmpd_inchi": "InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2",
      "cmpd_inchikey": "JKTCBAGSMQIFNL-UHFFFAOYSA-N",
      "OH_k298": "1.2e-10",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.43e-15",
      "O3_uncert": "0.18",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.52e-10",
      "Cl_uncert": "0.22",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-butyn-2-ol",
      "cmpd_mwt": "70.09",
      "cmpd_formula": "C4H6O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC(C#C)O",
      "cmpd_inchi": "InChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3",
      "cmpd_inchikey": "GKPOMITUDGXOSB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.8e-10",
      "Cl_uncert": "0.32",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-butyn-1-ol",
      "cmpd_mwt": "70.09",
      "cmpd_formula": "C4H6O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "OCCC#C",
      "cmpd_inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2",
      "cmpd_inchikey": "OTJZCIYGRUNXTP-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.3e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methoxypropane",
      "cmpd_mwt": "74.12",
      "cmpd_formula": "C4H10O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCCOC",
      "cmpd_inchi": "InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "VNKYTQGIUYNRMY-UHFFFAOYSA-N",
      "OH_k298": "9.91e-12",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.67e-15",
      "NO3_uncert": "0.19",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.52e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "gamma-crotonolactone",
      "cmpd_mwt": "84.07",
      "cmpd_formula": "C4H4O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "C1OC(=O)C=C1",
      "cmpd_inchi": "InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2",
      "cmpd_inchikey": "VIHAEDVKXSOUAT-UHFFFAOYSA-N",
      "OH_k298": "4.06e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "6.73e-20",
      "O3_uncert": "0.1",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.94e-11",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diethyl sulfide",
      "cmpd_mwt": "90.19",
      "cmpd_formula": "C4H10S",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "CCSCC",
      "cmpd_inchi": "InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "LJSQFQKUNVCTIA-UHFFFAOYSA-N",
      "OH_k298": "1.65e-11",
      "OH_uncert": "0.43",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.78e-10",
      "Cl_uncert": "0.24",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chlorobutane",
      "cmpd_mwt": "92.57",
      "cmpd_formula": "C4H9Cl",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CCC(Cl)C",
      "cmpd_inchi": "InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3",
      "cmpd_inchikey": "BSPCSKHALVHRSR-UHFFFAOYSA-N",
      "OH_k298": "2.45e-12",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.95e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "formyl propanoate",
      "cmpd_mwt": "102.09",
      "cmpd_formula": "C4H6O3",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCC(=O)OC=O",
      "cmpd_inchi": "InChI=1S/C4H6O3/c1-2-4(6)7-3-5/h3H,2H2,1H3",
      "cmpd_inchikey": "PLXKEUBOZXHXGA-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.9e-12",
      "Cl_uncert": "0.31",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chloro-2-ethoxyethane",
      "cmpd_mwt": "108.57",
      "cmpd_formula": "C4H9OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "ClCCOCC",
      "cmpd_inchi": "InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3",
      "cmpd_inchikey": "GPTVQTPMFOLLOA-UHFFFAOYSA-N",
      "OH_k298": "8.3e-12",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.7e-10",
      "Cl_uncert": "0.29",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4-dichlorobutene",
      "cmpd_mwt": "125",
      "cmpd_formula": "C4H6Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClC(C=C)CCl",
      "cmpd_inchi": "InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2",
      "cmpd_inchikey": "XVEASTGLHPVZNA-UHFFFAOYSA-N",
      "OH_k298": "1.45e-11",
      "OH_uncert": "0.41",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.09e-19",
      "O3_uncert": "0.11",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3e-16",
      "NO3_uncert": "0.27",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.91e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4,4,4-trifluorobutanal",
      "cmpd_mwt": "126.08",
      "cmpd_formula": "C4H5OF3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CCCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h3H,1-2H2",
      "cmpd_inchikey": "SCJCDNUXDWFVFI-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.4e-11",
      "Cl_uncert": "0.29",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "fluroxene",
      "cmpd_mwt": "126.08",
      "cmpd_formula": "C4H5OF3",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "C=COCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2",
      "cmpd_inchikey": "DLEGDLSLRSOURQ-UHFFFAOYSA-N",
      "OH_k298": "2.96e-11",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.62e-10",
      "Cl_uncert": "0.12",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "vinyl trifluoroacetate",
      "cmpd_mwt": "140.06",
      "cmpd_formula": "C4H3O2F3",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "C=COC(=O)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H3F3O2/c1-2-9-3(8)4(5,6)7/h2H,1H2",
      "cmpd_inchikey": "ZBGRMWIREQJHPK-UHFFFAOYSA-N",
      "OH_k298": "8.07e-12",
      "OH_uncert": "0.24",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.08e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bis(2-chloroethyl) ether",
      "cmpd_mwt": "143.01",
      "cmpd_formula": "C4H8OCl2",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "ClCCOCCCl",
      "cmpd_inchi": "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2",
      "cmpd_inchikey": "ZNSMNVMLTJELDZ-UHFFFAOYSA-N",
      "OH_k298": "7.6e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl chlorodifluoroacetate",
      "cmpd_mwt": "158.53",
      "cmpd_formula": "C4H5O2F2Cl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCOC(=O)C(Cl)(F)F",
      "cmpd_inchi": "InChI=1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3",
      "cmpd_inchikey": "GVCAWQUJCHZRCB-UHFFFAOYSA-N",
      "OH_k298": "5.05e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.56e-12",
      "Cl_uncert": "0.28",
      "Cl_u_fac": "",
      "Cl_A": "6.44e-11",
      "Cl_B": "1110",
      "Cl_n": "",
      "Cl_t_low": "287",
      "Cl_t_high": "313"
    },
    {
      "cmpd_name": "1,1,2,2-tetrafluoro-1,2-dimethoxyethane",
      "cmpd_mwt": "162.08",
      "cmpd_formula": "C4H6O2F4",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(OC)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H6F4O2/c1-9-3(5,6)4(7,8)10-2/h1-2H3",
      "cmpd_inchikey": "YUVROHVXUDSJJU-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.7e-13",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,3-trifluoro-2-(trifluoromethyl)propene",
      "cmpd_mwt": "164.05",
      "cmpd_formula": "C4H2F6",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "C=C(C(F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H2F6/c1-2(3(5,6)7)4(8,9)10/h1H2",
      "cmpd_inchikey": "QMIWYOZFFSLIAK-UHFFFAOYSA-N",
      "OH_k298": "7.51e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "8.03e-13",
      "OH_B": "20",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.48e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,3,3,3-hexafluoropropan-2-yl formate",
      "cmpd_mwt": "196.05",
      "cmpd_formula": "C4H2O2F6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=COC(C(F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H2F6O2/c5-3(6,7)2(12-1-11)4(8,9)10/h1-2H",
      "cmpd_inchikey": "RWCCLESWSUCGID-UHFFFAOYSA-N",
      "OH_k298": "2.08e-14",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.44e-15",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E/Z)-perfluoro-2-butene",
      "cmpd_mwt": "200.03",
      "cmpd_formula": "C4F8",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC(=C(C(F)(F)F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12",
      "cmpd_inchikey": "WSJULBMCKQTTIG-UHFFFAOYSA-N",
      "OH_k298": "4.82e-13",
      "OH_uncert": "0.24",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.27e-12",
      "Cl_uncert": "0.12",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "perfluoro-1-butene",
      "cmpd_mwt": "200.03",
      "cmpd_formula": "C4F8",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC(=C(C(C(F)(F)F)(F)F)F)F",
      "cmpd_inchi": "InChI=1S/C4F8/c5-1(2(6)7)3(8,9)4(10,11)12",
      "cmpd_inchikey": "ZVJOQYFQSQJDDX-UHFFFAOYSA-N",
      "OH_k298": "1.94e-12",
      "OH_uncert": "0.14",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.79e-11",
      "Cl_uncert": "0.23",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "perfluoroisopropyl formyl ether",
      "cmpd_mwt": "214.04",
      "cmpd_formula": "C4HO2F7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=COC(C(F)(F)F)(C(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C4HF7O2/c5-2(13-1-12,3(6,7)8)4(9,10)11/h1H",
      "cmpd_inchikey": "OGHHWMFTQZECPR-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.47e-14",
      "Cl_uncert": "0.38",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,4,4,4-heptafluorobutane-1,1-diol",
      "cmpd_mwt": "216.05",
      "cmpd_formula": "C4H3O2F7",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(C(C(C(F)(F)F)(F)F)(F)F)O",
      "cmpd_inchi": "InChI=1S/C4H3F7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h1,12-13H",
      "cmpd_inchikey": "GHXAOYAGFDREMN-UHFFFAOYSA-N",
      "OH_k298": "1.22e-13",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.8e-13",
      "Cl_uncert": "0.34",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-pentenenitrile",
      "cmpd_mwt": "81.12",
      "cmpd_formula": "C5H7N",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "C=CCCC#N",
      "cmpd_inchi": "InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2",
      "cmpd_inchikey": "CFEYBLWMNFZOPB-UHFFFAOYSA-N",
      "OH_k298": "2.94e-11",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.66e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-3-pentenenitrile",
      "cmpd_mwt": "81.12",
      "cmpd_formula": "C5H7N",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "C/C=C/CC#N",
      "cmpd_inchi": "InChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3",
      "cmpd_inchikey": "UVKXJAUUKPDDNW-UHFFFAOYSA-N",
      "OH_k298": "5.05e-11",
      "OH_uncert": "0.22",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.6e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-3-butyn-2-ol",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "C#CC(O)(C)C",
      "cmpd_inchi": "InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3",
      "cmpd_inchikey": "CEBKHWWANWSNTI-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.5e-10",
      "Cl_uncert": "0.4",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-3-buten-1-ol",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC(C=C)CO",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3",
      "cmpd_inchikey": "NVGOATMUHKIQQG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.74e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.63e-10",
      "Cl_uncert": "0.35",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-penten-2-ol",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC(CC=C)O",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3",
      "cmpd_inchikey": "ZHZCYWWNFQUZOR-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.14e-18",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.75e-10",
      "Cl_uncert": "0.35",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methyl-2H-furan-5-one",
      "cmpd_mwt": "98.1",
      "cmpd_formula": "C5H6O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "O=C1OCC=C1C",
      "cmpd_inchi": "InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3",
      "cmpd_inchikey": "VGHBEMPMIVEGJP-UHFFFAOYSA-N",
      "OH_k298": "1.26e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.42e-19",
      "O3_uncert": "0.23",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.61e-10",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl-3-butenoate",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "COC(=O)CC=C",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3",
      "cmpd_inchikey": "GITITJADGZYSRL-UHFFFAOYSA-N",
      "OH_k298": "3.29e-11",
      "OH_uncert": "0.18",
      "OH_u_fac": "",
      "OH_A": "2e-12",
      "OH_B": "-834",
      "OH_n": "",
      "OH_t_low": "288",
      "OH_t_high": "314",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.1e-10",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-pentanedione",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "alpha-dicarbonyl",
      "cmpd_smiles": "CCC(=O)C(=O)C",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3",
      "cmpd_inchikey": "TZMFJUDUGYTVRY-UHFFFAOYSA-N",
      "OH_k298": "2.66e-12",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "9.08e-11",
      "OH_B": "1052",
      "OH_n": "",
      "OH_t_low": "301",
      "OH_t_high": "338",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.6e-11",
      "Cl_uncert": "0.13",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylpropyl formate",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C5H10O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "O=COCC(C)C",
      "cmpd_inchi": "InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3",
      "cmpd_inchikey": "AVMSWPWPYJVYKY-UHFFFAOYSA-N",
      "OH_k298": "3.17e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "8.38e-13",
      "OH_B": "-398",
      "OH_n": "",
      "OH_t_low": "243",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.6e-11",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methoxy-2-butanol",
      "cmpd_mwt": "104.15",
      "cmpd_formula": "C5H12O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "COCC(CC)O",
      "cmpd_inchi": "InChI=1S/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "CSZZMFWKAQEMPB-UHFFFAOYSA-N",
      "OH_k298": "2.19e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.79e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethyl malonate",
      "cmpd_mwt": "132.11",
      "cmpd_formula": "C5H8O4",
      "cmpd_type": "ester",
      "cmpd_smiles": "COC(=O)CC(=O)OC",
      "cmpd_inchi": "InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3",
      "cmpd_inchikey": "BEPAFCGSDWSTEL-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.8e-12",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-nitrooxy-1-pentanol",
      "cmpd_mwt": "149.15",
      "cmpd_formula": "C5H11NO4",
      "cmpd_type": "hydroxy nitrate",
      "cmpd_smiles": "CCCC(O[N+](=O)[O-])CO",
      "cmpd_inchi": "InChI=1S/C5H11NO4/c1-2-3-5(4-7)10-6(8)9/h5,7H,2-4H2,1H3",
      "cmpd_inchikey": "VVLSYMLJBKJHQI-UHFFFAOYSA-N",
      "OH_k298": "4.9e-12",
      "OH_uncert": "0.18",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.59e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "allyl trifluoroacetate",
      "cmpd_mwt": "154.09",
      "cmpd_formula": "C5H5O2F3",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "C=CCOC(=O)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H5F3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2",
      "cmpd_inchikey": "XIVPVSIDXBTZLM-UHFFFAOYSA-N",
      "OH_k298": "9.27e-12",
      "OH_uncert": "0.41",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.75e-10",
      "Cl_uncert": "0.12",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,2-trifluoroethylacrylate",
      "cmpd_mwt": "154.09",
      "cmpd_formula": "C5H5O2F3",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "C=CC(=O)OCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H5F3O2/c1-2-4(9)10-3-5(6,7)8/h2H,1,3H2",
      "cmpd_inchikey": "VBHXIMACZBQHPX-UHFFFAOYSA-N",
      "OH_k298": "1.33e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.41e-10",
      "Cl_uncert": "0.24",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5,5,5-heptafluoro-1-pentene",
      "cmpd_mwt": "196.07",
      "cmpd_formula": "C5H3F7",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "C=CC(C(C(F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H3F7/c1-2-3(6,7)4(8,9)5(10,11)12/h2H,1H2",
      "cmpd_inchikey": "LQAPOTKKMIZDGP-UHFFFAOYSA-N",
      "OH_k298": "1.24e-12",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "7.4e-13",
      "OH_B": "-161",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "358",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.01e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "perfluoro-n-butyl formate",
      "cmpd_mwt": "264.05",
      "cmpd_formula": "C5HO2F9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5HF9O2/c6-2(7,4(10,11)12)3(8,9)5(13,14)16-1-15/h1H",
      "cmpd_inchikey": "CQQUGDTXUQIHTM-UHFFFAOYSA-N",
      "OH_k298": "1.71e-14",
      "OH_uncert": "0.19",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-14",
      "Cl_uncert": "0.36",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,4,4,5,5,5-nonafluoropentane-1,1-diol",
      "cmpd_mwt": "266.06",
      "cmpd_formula": "C5H3O2F9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O",
      "cmpd_inchi": "InChI=1S/C5H3F9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h1,15-16H",
      "cmpd_inchikey": "OKBXLDZUHBWJBK-UHFFFAOYSA-N",
      "OH_k298": "1.22e-13",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.8e-13",
      "Cl_uncert": "0.34",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z/E)-4-methyl-2-pentene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "CC=CC(C)C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3",
      "cmpd_inchikey": "LGAQJENWWYGFSN-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.11e-10",
      "Cl_uncert": "0.13",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E,E)-2,4-hexadienal",
      "cmpd_mwt": "96.13",
      "cmpd_formula": "C6H8O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "C/C=C/C=C/C=O",
      "cmpd_inchi": "InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+",
      "cmpd_inchikey": "BATOPAZDIZEVQF-MQQKCMAXSA-N",
      "OH_k298": "6.36e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.34e-12",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.98e-10",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hexanenitrile",
      "cmpd_mwt": "97.16",
      "cmpd_formula": "C6H11N",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "CCCCCC#N",
      "cmpd_inchi": "InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3",
      "cmpd_inchikey": "AILKHAQXUAOOFU-UHFFFAOYSA-N",
      "OH_k298": "2.84e-12",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.34e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylcyclopentanone",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "O=C1CCCC1C",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3",
      "cmpd_inchikey": "ZIXLDMFVRPABBX-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.52e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E/Z)-2-hexenal",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "CCCC=CC=O",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3",
      "cmpd_inchikey": "MBDOYVRWFFCFHM-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.9e-10",
      "Cl_uncert": "0.42",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-3-pentanone",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CCC(=O)C(C)C",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3",
      "cmpd_inchikey": "HYTRYEXINDDXJK-UHFFFAOYSA-N",
      "OH_k298": "3.49e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.33e-12",
      "OH_B": "-127.4",
      "OH_n": "0",
      "OH_t_low": "263",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.07e-10",
      "Cl_uncert": "0.24",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "vinyl butanoate",
      "cmpd_mwt": "114.14",
      "cmpd_formula": "C6H10O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCCC(=O)OC=C",
      "cmpd_inchi": "InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3",
      "cmpd_inchikey": "MEGHWIAOTJPCHQ-UHFFFAOYSA-N",
      "OH_k298": "2.61e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.48e-10",
      "Cl_uncert": "0.36",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl 2-methylbutanoate",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCC(C(=O)OC)C",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3",
      "cmpd_inchikey": "OCWLYWIFNDCWRZ-UHFFFAOYSA-N",
      "OH_k298": "3.78e-12",
      "OH_uncert": "0.22",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl 2-methylpropanoate",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCOC(=O)C(C)C",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3",
      "cmpd_inchikey": "WDAXFOBOLVPGLV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.08e-11",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl 3-methylbutanoate",
      "cmpd_mwt": "116.16",
      "cmpd_formula": "C6H12O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "COC(=O)CC(C)C",
      "cmpd_inchi": "InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3",
      "cmpd_inchikey": "OQAGVSWESNCJJT-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.07e-11",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chlorophenol",
      "cmpd_mwt": "128.56",
      "cmpd_formula": "C6H5OCl",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Oc1ccccc1Cl",
      "cmpd_inchi": "InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H",
      "cmpd_inchikey": "ISPYQTSUDJAMAB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.9e-12",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-nitrophenol",
      "cmpd_mwt": "139.11",
      "cmpd_formula": "C6H5NO3",
      "cmpd_type": "nitrophenol",
      "cmpd_smiles": "[O-][N+](=O)c1ccccc1O",
      "cmpd_inchi": "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H",
      "cmpd_inchikey": "IQUPABOKLQSFBK-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.8e-12",
      "Cl_uncert": "0.34",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bromobenzene",
      "cmpd_mwt": "157.01",
      "cmpd_formula": "C6H5Br",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Brc1ccccc1",
      "cmpd_inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H",
      "cmpd_inchikey": "QARVLSVVCXYDNA-UHFFFAOYSA-N",
      "OH_k298": "9.15e-13",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.32e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diethyl ethylphosphonate",
      "cmpd_mwt": "166.16",
      "cmpd_formula": "C6H15O3P",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCP(=O)(OCC)OCC",
      "cmpd_inchi": "InChI=1S/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H3",
      "cmpd_inchikey": "AATNZNJRDOVKDD-UHFFFAOYSA-N",
      "OH_k298": "4.78e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "2e-13",
      "OH_B": "-1632.12751365849",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "348",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.6e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "5.27e-11",
      "Cl_B": "-765",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "352"
    },
    {
      "cmpd_name": "2,2,2-trifluoroethylmethacrylate",
      "cmpd_mwt": "168.11",
      "cmpd_formula": "C6H7O2F3",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=C(C(=C)C)OCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3",
      "cmpd_inchikey": "QTKPMCIBUROOGY-UHFFFAOYSA-N",
      "OH_k298": "2.27e-11",
      "OH_uncert": "0.27",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.22e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,2-trifluoroethyl butanoate",
      "cmpd_mwt": "170.13",
      "cmpd_formula": "C6H9O2F3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCCC(=O)OCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H9F3O2/c1-2-3-5(10)11-4-6(7,8)9/h2-4H2,1H3",
      "cmpd_inchikey": "DEXWRCYOMLUJRF-UHFFFAOYSA-N",
      "OH_k298": "1.3e-12",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.02e-11",
      "Cl_uncert": "0.23",
      "Cl_u_fac": "",
      "Cl_A": "1.13e-12",
      "Cl_B": "-1132",
      "Cl_n": "2.6",
      "Cl_t_low": "268",
      "Cl_t_high": "343"
    },
    {
      "cmpd_name": "triethyl phosphate",
      "cmpd_mwt": "182.15",
      "cmpd_formula": "C6H15O4P",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCOP(=O)(OCC)OCC",
      "cmpd_inchi": "InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3",
      "cmpd_inchikey": "DQWPFSLDHJDLRL-UHFFFAOYSA-N",
      "OH_k298": "4.68e-11",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "2e-13",
      "OH_B": "-1625.09756308499",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "347",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.4e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "5.23e-11",
      "Cl_B": "-736",
      "Cl_n": "",
      "Cl_t_low": "298",
      "Cl_t_high": "352"
    },
    {
      "cmpd_name": "1,1,1,3,3,3-hexafluoroisopropylacrylate",
      "cmpd_mwt": "222.09",
      "cmpd_formula": "C6H4O2F6",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "C=CC(=O)OC(C(F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2",
      "cmpd_inchikey": "MNSWITGNWZSAMC-UHFFFAOYSA-N",
      "OH_k298": "1.27e-11",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.39e-10",
      "Cl_uncert": "0.24",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5,5,6,6,6-nonafluoro-1-hexene",
      "cmpd_mwt": "246.07",
      "cmpd_formula": "C6H3F9",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H3F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2",
      "cmpd_inchikey": "GVEUEBXMTMZVSD-UHFFFAOYSA-N",
      "OH_k298": "1.29e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "8.09e-13",
      "OH_B": "-139",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "330",
      "O3_k298": "2e-19",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.38e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2,2-tetrafluoro-1-methoxy-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)ethane",
      "cmpd_mwt": "278.1",
      "cmpd_formula": "C6H6O3F8",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(OC(C(OC)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H6F8O3/c1-15-3(7,8)5(11,12)17-6(13,14)4(9,10)16-2/h1-2H3",
      "cmpd_inchikey": "SOTHGFWOXYVWFW-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.7e-13",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "perfluoro-n-pentyl formate",
      "cmpd_mwt": "314.05",
      "cmpd_formula": "C6HO2F11",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=COC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6HF11O2/c7-2(8,3(9,10)5(13,14)15)4(11,12)6(16,17)19-1-18/h1H",
      "cmpd_inchikey": "PXGWZUUEKVVNOO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-14",
      "Cl_uncert": "0.36",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylhexane",
      "cmpd_mwt": "100.2",
      "cmpd_formula": "C7H16",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCCCC(C)C",
      "cmpd_inchi": "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3",
      "cmpd_inchikey": "GXDHCNNESPLIKD-UHFFFAOYSA-N",
      "OH_k298": "6.69e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.55e-12",
      "OH_B": "-289",
      "OH_n": "1.56",
      "OH_t_low": "230",
      "OH_t_high": "385",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.38e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cycloheptanone",
      "cmpd_mwt": "112.17",
      "cmpd_formula": "C7H12O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "O=C1CCCCCC1",
      "cmpd_inchi": "InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2",
      "cmpd_inchikey": "CGZZMOTZOONQIA-UHFFFAOYSA-N",
      "OH_k298": "1e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.43e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylcyclohexanone",
      "cmpd_mwt": "112.17",
      "cmpd_formula": "C7H12O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CC1CCCCC1=O",
      "cmpd_inchi": "InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3",
      "cmpd_inchikey": "LFSAPCRASZRSKS-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.12e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-hepten-1-ol",
      "cmpd_mwt": "114.19",
      "cmpd_formula": "C7H14O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CCCC=CCCO",
      "cmpd_inchi": "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3",
      "cmpd_inchikey": "SDZQUCJFTUULJX-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.8e-10",
      "Cl_uncert": "0.23",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "allyl butanoate",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C7H12O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCCC(=O)OCC=C",
      "cmpd_inchi": "InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3",
      "cmpd_inchikey": "RMZIOVJHUJAAEY-UHFFFAOYSA-N",
      "OH_k298": "2.89e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.25e-10",
      "Cl_uncert": "0.43",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-ethyl tiglate",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C7H12O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCOC(=O)/C(=C/C)/C",
      "cmpd_inchi": "InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+",
      "cmpd_inchikey": "OAPHLAAOJMTMLY-GQCTYLIASA-N",
      "OH_k298": "8.44e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.46e-11",
      "OH_B": "-522",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "330",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.53e-10",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-3-hexenylformate",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C7H12O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CC/C=C\\CCOC=O",
      "cmpd_inchi": "InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3-",
      "cmpd_inchikey": "XJHQVZQZUGLZLS-ARJAWSKDSA-N",
      "OH_k298": "4.61e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.06e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.45e-10",
      "Cl_uncert": "0.12",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl 2-methylpentanoate",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCC(C(=O)OC)C",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3",
      "cmpd_inchikey": "ZTULNMNIVVMLIU-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-10",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-propyl isobutyrate",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCOC(=O)C(C)C",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3",
      "cmpd_inchikey": "AZFUASHXSOTBNU-UHFFFAOYSA-N",
      "OH_k298": "4.59e-12",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "1.48e-12",
      "OH_B": "-347",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.12e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl 2,2-dimethylpropanoate",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCOC(=O)C(C)(C)C",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3",
      "cmpd_inchikey": "HHEIMYAXCOIQCJ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.35e-11",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl 2-methylbutanoate",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCOC(=O)C(CC)C",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-4-6(3)7(8)9-5-2/h6H,4-5H2,1-3H3",
      "cmpd_inchikey": "HCRBXQFHJMCTLF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.41e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl 3-methylbutanoate",
      "cmpd_mwt": "130.18",
      "cmpd_formula": "C7H14O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCOC(=O)CC(C)C",
      "cmpd_inchi": "InChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3",
      "cmpd_inchikey": "PPXUHEORWJQRHJ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.25e-10",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-heptyl nitrate",
      "cmpd_mwt": "161.2",
      "cmpd_formula": "C7H15NO3",
      "cmpd_type": "nitrate",
      "cmpd_smiles": "[O-][N+](=O)OC(CCCCC)C",
      "cmpd_inchi": "InChI=1S/C7H15NO3/c1-3-4-5-6-7(2)11-8(9)10/h7H,3-6H2,1-2H3",
      "cmpd_inchikey": "HHXLSUKHLTZWKR-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.64e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,3,3,3-hexafluoroisopropylmethacrylate",
      "cmpd_mwt": "236.11",
      "cmpd_formula": "C7H6O2F6",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=C(C(=C)C)OC(C(F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C7H6F6O2/c1-3(2)4(14)15-5(6(8,9)10)7(11,12)13/h5H,1H2,2H3",
      "cmpd_inchikey": "FMQPBWHSNCRVQJ-UHFFFAOYSA-N",
      "OH_k298": "1.6e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.44e-10",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanal",
      "cmpd_mwt": "348.06",
      "cmpd_formula": "C7HOF13",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C7HF13O/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h1H",
      "cmpd_inchikey": "YYYONDXERNIFKX-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.75e-12",
      "Cl_uncert": "0.4",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane",
      "cmpd_mwt": "350.08",
      "cmpd_formula": "C7H3OF13",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C7H3F13O/c1-21-4(11,3(9,10)7(18,19)20)2(8,5(12,13)14)6(15,16)17/h1H3",
      "cmpd_inchikey": "QKAGYSDHEJITFV-UHFFFAOYSA-N",
      "OH_k298": "1.1e-14",
      "OH_uncert": "0.32",
      "OH_u_fac": "",
      "OH_A": "5.6e-13",
      "OH_B": "1186",
      "OH_n": "",
      "OH_t_low": "271",
      "OH_t_high": "333",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.5e-13",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "3.8e-12",
      "Cl_B": "968",
      "Cl_n": "",
      "Cl_t_low": "271",
      "Cl_t_high": "333"
    },
    {
      "cmpd_name": "cyclooctanone",
      "cmpd_mwt": "126.2",
      "cmpd_formula": "C8H14O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "O=C1CCCCCCC1",
      "cmpd_inchi": "InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2",
      "cmpd_inchikey": "IIRFCWANHMSDCG-UHFFFAOYSA-N",
      "OH_k298": "1.61e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.97e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethylhexanal",
      "cmpd_mwt": "128.21",
      "cmpd_formula": "C8H16O",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "CCCCC(C=O)CC",
      "cmpd_inchi": "InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3",
      "cmpd_inchikey": "LGYNIFWIKSEESD-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.1e-10",
      "Cl_uncert": "0.29",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-octen-1-ol",
      "cmpd_mwt": "128.21",
      "cmpd_formula": "C8H16O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CCCCC=CCCO",
      "cmpd_inchi": "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3",
      "cmpd_inchikey": "YDXQPTHHAPCTPP-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.13e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-hexenyl acetate",
      "cmpd_mwt": "142.2",
      "cmpd_formula": "C8H14O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCC/C=C/COC(=O)C",
      "cmpd_inchi": "InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+",
      "cmpd_inchikey": "HRHOWZHRCRZVCU-AATRIKPKSA-N",
      "OH_k298": "6.88e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.1e-10",
      "Cl_uncert": "0.36",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl cyclohexanecarboxylate",
      "cmpd_mwt": "142.2",
      "cmpd_formula": "C8H14O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "COC(=O)C1CCCCC1",
      "cmpd_inchi": "InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3",
      "cmpd_inchikey": "ZQWPRMPSCMSAJU-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.87e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl 2-methylpentanoate",
      "cmpd_mwt": "144.21",
      "cmpd_formula": "C8H16O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCC(C(=O)OCC)C",
      "cmpd_inchi": "InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3",
      "cmpd_inchikey": "HZPKNSYIDSNZKW-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.72e-10",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl n-heptanoate",
      "cmpd_mwt": "144.21",
      "cmpd_formula": "C8H16O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCCCCCC(=O)OC",
      "cmpd_inchi": "InChI=1S/C8H16O2/c1-3-4-5-6-7-8(9)10-2/h3-7H2,1-2H3",
      "cmpd_inchikey": "XNCNNDVCAUWAIT-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.35e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dimethoxyphenol",
      "cmpd_mwt": "154.16",
      "cmpd_formula": "C8H10O3",
      "cmpd_type": "aromatic oxygenate",
      "cmpd_smiles": "COc1c(OC)cccc1O",
      "cmpd_inchi": "InChI=1S/C8H10O3/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5,9H,1-2H3",
      "cmpd_inchikey": "QSZCGGBDNYTQHH-UHFFFAOYSA-N",
      "OH_k298": "7.49e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.73e-10",
      "Cl_uncert": "0.22",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-octene",
      "cmpd_mwt": "346.09",
      "cmpd_formula": "C8H3F13",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C8H3F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2",
      "cmpd_inchikey": "FYQFWFHDPNXORA-UHFFFAOYSA-N",
      "OH_k298": "1.39e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.25e-12",
      "OH_B": "-31",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "330",
      "O3_k298": "2e-19",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.51e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2,2-tetrafluoro-1-methoxy-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-methoxyethoxy)ethoxy]ethane",
      "cmpd_mwt": "394.11",
      "cmpd_formula": "C8H6O4F12",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(OC(C(OC(C(OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C8H6F12O4/c1-21-3(9,10)5(13,14)23-7(17,18)8(19,20)24-6(15,16)4(11,12)22-2/h1-2H3",
      "cmpd_inchikey": "UMMJPMFAQHCBNY-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.7e-13",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "perfluoro-n-heptyl formate",
      "cmpd_mwt": "414.07",
      "cmpd_formula": "C8HO2F15",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=COC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C8HF15O2/c9-2(10,3(11,12)5(15,16)7(19,20)21)4(13,14)6(17,18)8(22,23)25-1-24/h1H",
      "cmpd_inchikey": "HWSQDOAJHVEAHU-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-14",
      "Cl_uncert": "0.36",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-ethyl-2-methoxybenzene",
      "cmpd_mwt": "136.19",
      "cmpd_formula": "C9H12O",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "COc1ccccc1CC",
      "cmpd_inchi": "InChI=1S/C9H12O/c1-3-8-6-4-5-7-9(8)10-2/h4-7H,3H2,1-2H3",
      "cmpd_inchikey": "NIEHEMAZEULEKB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.2e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl hexyl acrylate",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C9H16O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCCC(OC(=O)C=C)CC",
      "cmpd_inchi": "InChI=1S/C9H16O2/c1-4-7-8(5-2)11-9(10)6-3/h6,8H,3-5,7H2,1-2H3",
      "cmpd_inchikey": "PCLNQXZJUFRJSJ-UHFFFAOYSA-N",
      "OH_k298": "2.74e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.57e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hexyl acrylate",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C9H16O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCCCCCOC(=O)C=C",
      "cmpd_inchi": "InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3",
      "cmpd_inchikey": "LNMQRPPRQDGUDR-UHFFFAOYSA-N",
      "OH_k298": "2.28e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.32e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclodecane",
      "cmpd_mwt": "140.27",
      "cmpd_formula": "C10H20",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C1CCCCCCCCC1",
      "cmpd_inchi": "InChI=1S/C10H20/c1-2-4-6-8-10-9-7-5-3-1/h1-10H2",
      "cmpd_inchikey": "LMGZGXSXHCMSAA-UHFFFAOYSA-N",
      "OH_k298": "1.66e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.13e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "fenchone",
      "cmpd_mwt": "152.23",
      "cmpd_formula": "C10H16O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "O=C1C2(C)CCC(C1(C)C)C2",
      "cmpd_inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",
      "cmpd_inchikey": "LHXDLQBQYFFVNW-UHFFFAOYSA-N",
      "OH_k298": "3.9e-12",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.86e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclodecanone",
      "cmpd_mwt": "154.25",
      "cmpd_formula": "C10H18O",
      "cmpd_type": "ketone",
      "cmpd_smiles": "O=C1CCCCCCCCC1",
      "cmpd_inchi": "InChI=1S/C10H18O/c11-10-8-6-4-2-1-3-5-7-9-10/h1-9H2",
      "cmpd_inchikey": "SXOZDDAFVJANJP-UHFFFAOYSA-N",
      "OH_k298": "2.14e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.65e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "fenchol",
      "cmpd_mwt": "154.25",
      "cmpd_formula": "C10H18O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OC1C2(C)CCC(C1(C)C)C2",
      "cmpd_inchi": "InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3",
      "cmpd_inchikey": "IAIHUHQCLTYTSF-UHFFFAOYSA-N",
      "OH_k298": "2.49e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.93e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "borneol",
      "cmpd_mwt": "154.25",
      "cmpd_formula": "C10H18O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OC1CC2C(C1(C)CC2)(C)C",
      "cmpd_inchi": "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",
      "cmpd_inchikey": "DTGKSKDOIYIVQL-UHFFFAOYSA-N",
      "OH_k298": "2.65e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.72e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "menthol",
      "cmpd_mwt": "156.27",
      "cmpd_formula": "C10H20O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CC1CCC(C(C1)O)C(C)C",
      "cmpd_inchi": "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3",
      "cmpd_inchikey": "NOOLISFMXDJSKH-UHFFFAOYSA-N",
      "OH_k298": "1.48e-11",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.4e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "perfluoro-n-decyl formate",
      "cmpd_mwt": "564.09",
      "cmpd_formula": "C11HO2F21",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=COC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C11HF21O2/c12-2(13,4(16,17)6(20,21)8(24,25)10(28,29)30)3(14,15)5(18,19)7(22,23)9(26,27)11(31,32)34-1-33/h1H",
      "cmpd_inchikey": "QMUMFXWUIWHARI-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.4e-14",
      "Cl_uncert": "0.36",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chloromethyl cyanide",
      "cmpd_mwt": "75.5",
      "cmpd_formula": "C2H2NCl",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "ClCC#N",
      "cmpd_inchi": "InChI=1S/C2H2ClN/c3-1-2-4/h1H2",
      "cmpd_inchikey": "RENMDAKOXSCIGH-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.4e-14",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "bromoethene",
      "cmpd_mwt": "106.95",
      "cmpd_formula": "C2H3Br",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "BrC=C",
      "cmpd_inchi": "InChI=1S/C2H3Br/c1-2-3/h2H,1H2",
      "cmpd_inchikey": "INLLPKCGLOXCIV-UHFFFAOYSA-N",
      "OH_k298": "6.81e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.79e-12",
      "OH_B": "-406",
      "OH_n": "",
      "OH_t_low": "299",
      "OH_t_high": "426",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dichloromethyl cyanide",
      "cmpd_mwt": "109.94",
      "cmpd_formula": "C2HNCl2",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "ClC(C#N)Cl",
      "cmpd_inchi": "InChI=1S/C2HCl2N/c3-2(4)1-5/h2H",
      "cmpd_inchikey": "STZZWJCGRKXEFF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.8e-14",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dichloroacetylchloride",
      "cmpd_mwt": "147.39",
      "cmpd_formula": "C2HOCl3",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "ClC(=O)C(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1H",
      "cmpd_inchikey": "FBCCMZVIWNDFMO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.6e-14",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "acrylonitrile",
      "cmpd_mwt": "53.06",
      "cmpd_formula": "C3H3N",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "C=CC#N",
      "cmpd_inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2",
      "cmpd_inchikey": "NLHHRLWOUZZQLW-UHFFFAOYSA-N",
      "OH_k298": "4.13e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.13e-12",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "299",
      "OH_t_high": "423",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.03e-10",
      "Cl_uncert": "0.13",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propionylchloride",
      "cmpd_mwt": "92.52",
      "cmpd_formula": "C3H5OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "CCC(=O)Cl",
      "cmpd_inchi": "InChI=1S/C3H5ClO/c1-2-3(4)5/h2H2,1H3",
      "cmpd_inchikey": "RZWZRACFZGVKFM-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.64e-12",
      "Cl_uncert": "0.13",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3-dichloropropene",
      "cmpd_mwt": "110.97",
      "cmpd_formula": "C3H4Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClCC=CCl",
      "cmpd_inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2",
      "cmpd_inchikey": "UOORRWUZONOOLO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.67e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,3-trifluoro-2-chloropropanal",
      "cmpd_mwt": "146.5",
      "cmpd_formula": "C3H2OF3Cl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CC(C(F)(F)F)Cl",
      "cmpd_inchi": "InChI=1S/C3H2ClF3O/c4-2(1-8)3(5,6)7/h1-2H",
      "cmpd_inchikey": "BEBOMZNIHGKBBR-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.5e-12",
      "Cl_uncert": "0.27",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,3-trichloropropane",
      "cmpd_mwt": "147.43",
      "cmpd_formula": "C3H5Cl3",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "ClCC(CCl)Cl",
      "cmpd_inchi": "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2",
      "cmpd_inchikey": "CFXQEHVMCRXUSD-UHFFFAOYSA-N",
      "OH_k298": "4.6e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.5e-12",
      "OH_B": "350",
      "OH_n": "",
      "OH_t_low": "233",
      "OH_t_high": "372",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.86e-12",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3-dichloro-1,1,1-trifluoro-2-propanone",
      "cmpd_mwt": "180.94",
      "cmpd_formula": "C3HOF3Cl2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "ClC(C(=O)C(F)(F)F)Cl",
      "cmpd_inchi": "InChI=1S/C3HCl2F3O/c4-2(5)1(9)3(6,7)8/h2H",
      "cmpd_inchikey": "LPKWVIATMJLTEK-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.3e-14",
      "Cl_uncert": "0.13",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "allyl cyanide",
      "cmpd_mwt": "67.09",
      "cmpd_formula": "C4H5N",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "C=CCC#N",
      "cmpd_inchi": "InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2",
      "cmpd_inchikey": "SJNALLRHIVGIBI-UHFFFAOYSA-N",
      "OH_k298": "1.57e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "6e-19",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.18e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tetramethylsilane",
      "cmpd_mwt": "88.22",
      "cmpd_formula": "C4H12Si",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si](C)(C)C",
      "cmpd_inchi": "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3",
      "cmpd_inchikey": "CZDYPVPMEAXLPK-UHFFFAOYSA-N",
      "OH_k298": "1.08e-12",
      "OH_uncert": "0.18",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.25e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1-chloro-2-butene",
      "cmpd_mwt": "90.55",
      "cmpd_formula": "C4H7Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "C/C=C/CCl",
      "cmpd_inchi": "InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+",
      "cmpd_inchikey": "YTKRILODNOEEPX-NSCUHMNNSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.5e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chloro-2-methylpropane",
      "cmpd_mwt": "92.57",
      "cmpd_formula": "C4H9Cl",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "ClCC(C)C",
      "cmpd_inchi": "InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3",
      "cmpd_inchikey": "QTBFPMKWQKYFLR-UHFFFAOYSA-N",
      "OH_k298": "1.95e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trimethylsilylmethanol",
      "cmpd_mwt": "104.22",
      "cmpd_formula": "C4H12OSi",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "OC[Si](C)(C)C",
      "cmpd_inchi": "InChI=1S/C4H12OSi/c1-6(2,3)4-5/h5H,4H2,1-3H3",
      "cmpd_inchikey": "ZQKNBDOVPOZPLY-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.95e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-4-chloro-2-butenal",
      "cmpd_mwt": "104.53",
      "cmpd_formula": "C4H5OCl",
      "cmpd_type": "unsaturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "ClC/C=C/C=O",
      "cmpd_inchi": "InChI=1S/C4H5ClO/c5-3-1-2-4-6/h1-2,4H,3H2/b2-1+",
      "cmpd_inchikey": "BYEGVAXXFJVWAQ-OWOJBTEDSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.6e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylpropionyl chloride",
      "cmpd_mwt": "106.55",
      "cmpd_formula": "C4H7OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "CC(C(=O)Cl)C",
      "cmpd_inchi": "InChI=1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3",
      "cmpd_inchikey": "DGMOBVGABMBZSB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.82e-12",
      "Cl_uncert": "0.27",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1,1,1,4,4,4-hexafluoro-2-butene",
      "cmpd_mwt": "164.05",
      "cmpd_formula": "C4H2F6",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC(/C=C/C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+",
      "cmpd_inchikey": "NLOLSXYRJFEOTA-OWOJBTEDSA-N",
      "OH_k298": "1.2e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "5.87e-13",
      "OH_B": "472.922012678663",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.36e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "pyridine",
      "cmpd_mwt": "79.1",
      "cmpd_formula": "C5H5N",
      "cmpd_type": "amine",
      "cmpd_smiles": "c1cccnc1",
      "cmpd_inchi": "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H",
      "cmpd_inchikey": "JUJWROOIHBZHMG-UHFFFAOYSA-N",
      "OH_k298": "5.31e-13",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.85e-13",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "2.08e-11",
      "Cl_B": "1407",
      "Cl_n": "",
      "Cl_t_low": "299",
      "Cl_t_high": "435"
    },
    {
      "cmpd_name": "2,2-dimethylpropionyl chloride",
      "cmpd_mwt": "120.58",
      "cmpd_formula": "C5H9OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "ClC(=O)C(C)(C)C",
      "cmpd_inchi": "InChI=1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3",
      "cmpd_inchikey": "JVSFQJZRHXAUGT-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.86e-12",
      "Cl_uncert": "0.22",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "di-n-propylsulfide",
      "cmpd_mwt": "118.24",
      "cmpd_formula": "C6H14S",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "CCCSCCC",
      "cmpd_inchi": "InChI=1S/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3",
      "cmpd_inchikey": "ZERULLAPCVRMCO-UHFFFAOYSA-N",
      "OH_k298": "1.92e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.18e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hexamethyldisiloxane",
      "cmpd_mwt": "162.38",
      "cmpd_formula": "C6H18OSi2",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si](O[Si](C)(C)C)(C)C",
      "cmpd_inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3",
      "cmpd_inchikey": "UQEAIHBTYFGYIE-UHFFFAOYSA-N",
      "OH_k298": "1.3e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.85e-11",
      "OH_B": "791.00000000014",
      "OH_n": "",
      "OH_t_low": "240",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.52e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "di-n-butylsuflide",
      "cmpd_mwt": "146.29",
      "cmpd_formula": "C8H18S",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "CCCCSCCCC",
      "cmpd_inchi": "InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3",
      "cmpd_inchikey": "HTIRHQRTDBPHNZ-UHFFFAOYSA-N",
      "OH_k298": "2.83e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.46e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-decene",
      "cmpd_mwt": "446.1",
      "cmpd_formula": "C10H3F17",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "C=CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C10H3F17/c1-2-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2",
      "cmpd_inchikey": "NKAMGQZDVMQEJL-UHFFFAOYSA-N",
      "OH_k298": "1.28e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2e-19",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.54e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trimethylsilane",
      "cmpd_mwt": "74.2",
      "cmpd_formula": "C3H10Si",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[SiH](C)C",
      "cmpd_inchi": "InChI=1S/C3H10Si/c1-4(2)3/h4H,1-3H3",
      "cmpd_inchikey": "PQDJYEQOELDLCP-UHFFFAOYSA-N",
      "OH_k298": "3.1e-11",
      "OH_uncert": "0.13",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.09e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "1.24e-10",
      "Cl_B": "-156",
      "Cl_n": "",
      "Cl_t_low": "295",
      "Cl_t_high": "468"
    },
    {
      "cmpd_name": "silane",
      "cmpd_mwt": "32.12",
      "cmpd_formula": "H4Si",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "[SiH4]",
      "cmpd_inchi": "InChI=1S/H4Si/h1H4",
      "cmpd_inchikey": "BLRPTPMANUNPDV-UHFFFAOYSA-N",
      "OH_k298": "1.2e-11",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.49e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "1.56e-10",
      "Cl_B": "-240",
      "Cl_n": "",
      "Cl_t_low": "295",
      "Cl_t_high": "472"
    },
    {
      "cmpd_name": "1,1,3,3-tetramethyldisiloxane",
      "cmpd_mwt": "134.32",
      "cmpd_formula": "C4H14OSi2",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[SiH](O[SiH](C)C)C",
      "cmpd_inchi": "InChI=1S/C4H14OSi2/c1-6(2)5-7(3)4/h6-7H,1-4H3",
      "cmpd_inchikey": "NVYQDQZEMGUESH-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.98e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "1.98e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "1,3-dimethyldisiloxane",
      "cmpd_mwt": "106.27",
      "cmpd_formula": "C2H10OSi2",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[SiH2]O[SiH2]C",
      "cmpd_inchi": "InChI=1S/C2H10OSi2/c1-4-3-5-2/h4-5H2,1-2H3",
      "cmpd_inchikey": "OFLMWACNYIOTNX-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.42e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "2.42e-10",
      "Cl_B": "0",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "chlorosilane",
      "cmpd_mwt": "66.56",
      "cmpd_formula": "H3SiCl",
      "cmpd_type": "inorganic cmpd.",
      "cmpd_smiles": "[SiH3]Cl",
      "cmpd_inchi": "InChI=1S/ClH3Si/c1-2/h2H3",
      "cmpd_inchikey": "KOPOQZFJUQMUML-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.3e-10",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dichlorosilane",
      "cmpd_mwt": "101.01",
      "cmpd_formula": "H2SiCl2",
      "cmpd_type": "inorganic cmpd.",
      "cmpd_smiles": "Cl[SiH2]Cl",
      "cmpd_inchi": "InChI=1S/Cl2H2Si/c1-3-2/h3H2",
      "cmpd_inchikey": "MROCJMGDEKINLD-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.01e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trichlorosilane",
      "cmpd_mwt": "135.45",
      "cmpd_formula": "HSiCl3",
      "cmpd_type": "inorganic cmpd.",
      "cmpd_smiles": "Cl[SiH](Cl)Cl",
      "cmpd_inchi": "InChI=1S/Cl3HSi/c1-4(2)3/h4H",
      "cmpd_inchikey": "ZDHXKXAHOVTTAH-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "1.6",
      "Cl_A": "1.6e-11",
      "Cl_B": "-66",
      "Cl_n": "",
      "Cl_t_low": "296",
      "Cl_t_high": "473"
    },
    {
      "cmpd_name": "iodobenzene",
      "cmpd_mwt": "204.01",
      "cmpd_formula": "C6H5I",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Ic1ccccc1",
      "cmpd_inchi": "InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H",
      "cmpd_inchikey": "SNHMUERNLJLMHN-UHFFFAOYSA-N",
      "OH_k298": "1.32e-12",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.3e-11",
      "Cl_uncert": "0.21",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chloro(iodo)methane",
      "cmpd_mwt": "176.38",
      "cmpd_formula": "CH2ClI",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClCI",
      "cmpd_inchi": "InChI=1S/CH2ClI/c2-1-3/h1H2",
      "cmpd_inchikey": "PJGJQVRXEUVAFT-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.8199999999999997e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "1.7",
      "Cl_A": "3.62e-11",
      "Cl_B": "-141.174385941794",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "acetyl chloride",
      "cmpd_mwt": "78.5",
      "cmpd_formula": "C2H3OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "CC(=O)Cl",
      "cmpd_inchi": "InChI=1S/C2H3ClO/c1-2(3)4/h1H3",
      "cmpd_inchikey": "WETWJCDKMRHUPV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chloroacetyl chloride",
      "cmpd_mwt": "112.94",
      "cmpd_formula": "C2H2OCl2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "ClCC(=O)Cl",
      "cmpd_inchi": "InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2",
      "cmpd_inchikey": "VGCXGMAHQTYDJK-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.4e-14",
      "Cl_uncert": "0.22",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dichlorobutane",
      "cmpd_mwt": "127.01",
      "cmpd_formula": "C4H8Cl2",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "CC(C(Cl)C)Cl",
      "cmpd_inchi": "InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3",
      "cmpd_inchikey": "RMISVOPUIFJTEO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.1e-11",
      "Cl_uncert": "0.18",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "di-tert-butyl malonate",
      "cmpd_mwt": "216.27",
      "cmpd_formula": "C11H20O4",
      "cmpd_type": "ester",
      "cmpd_smiles": "O=C(OC(C)(C)C)CC(=O)OC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C11H20O4/c1-10(2,3)14-8(12)7-9(13)15-11(4,5)6/h7H2,1-6H3",
      "cmpd_inchikey": "CLPHAYNBNTVRDI-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.5e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4-epoxy-cyclohexene",
      "cmpd_mwt": "96.13",
      "cmpd_formula": "C6H8O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "C1C=CC2C(C1)O2",
      "cmpd_inchi": "InChI=1S/C6H8O/c1-2-4-6-5(3-1)7-6/h1,3,5-6H,2,4H2",
      "cmpd_inchikey": "ILSLNOWZSKKNJQ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.7e-13",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dimethyl-3-(2,2-dimethyl-vinyl)-oxirane",
      "cmpd_mwt": "126.2",
      "cmpd_formula": "C8H14O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "CC(=CC1OC1(C)C)C",
      "cmpd_inchi": "InChI=1S/C8H14O/c1-6(2)5-7-8(3,4)9-7/h5,7H,1-4H3",
      "cmpd_inchikey": "QINZXHVEPUATPM-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.74e-12",
      "NO3_uncert": "0.12",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-2-(1-methyl-vinyl)-oxirane",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "CC(=C)C1(C)CO1",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-5(2)6(3)4-7-6/h1,4H2,2-3H3",
      "cmpd_inchikey": "PFMOZGXOYLJJAO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.55e-13",
      "NO3_uncert": "0.17",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-2-vinyloxirane",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "CC1(CO1)C=C",
      "cmpd_inchi": "InChI=1S/C5H8O/c1-3-5(2)4-6-5/h3H,1,4H2,2H3",
      "cmpd_inchikey": "FVCDMHWSPLRYAB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.63e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.4e-15",
      "NO3_uncert": "0.28",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tetramethyloxirane",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC1(C)OC1(C)C",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-5(2)6(3,4)7-5/h1-4H3",
      "cmpd_inchikey": "SYQIWVMFOAHDMK-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-2,3-dimethyloxirane",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "ether",
      "cmpd_smiles": "C[C@@H]1O[C@@H]1C",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+",
      "cmpd_inchikey": "PQXKWPLDPFFDJP-ZXZARUISSA-N",
      "OH_k298": "1.53e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.59e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-fluorophenol",
      "cmpd_mwt": "112.1",
      "cmpd_formula": "C6H5OF",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Oc1ccccc1F",
      "cmpd_inchi": "InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H",
      "cmpd_inchikey": "HFHFGHLXUCOHLN-UHFFFAOYSA-N",
      "OH_k298": "6.3e-12",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-fluorophenol",
      "cmpd_mwt": "112.1",
      "cmpd_formula": "C6H5OF",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Oc1cccc(c1)F",
      "cmpd_inchi": "InChI=1S/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H",
      "cmpd_inchikey": "SJTBRFHBXDZMPS-UHFFFAOYSA-N",
      "OH_k298": "2.3e-11",
      "OH_uncert": "0.22",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-fluorophenol",
      "cmpd_mwt": "112.1",
      "cmpd_formula": "C6H5OF",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Oc1ccc(cc1)F",
      "cmpd_inchi": "InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H",
      "cmpd_inchikey": "RHMPLDJJXGPMEX-UHFFFAOYSA-N",
      "OH_k298": "2.5e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diiodomethane",
      "cmpd_mwt": "267.84",
      "cmpd_formula": "CH2I2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ICI",
      "cmpd_inchi": "InChI=1S/CH2I2/c2-1-3/h1H2",
      "cmpd_inchikey": "NZZFYRREKKOMAT-UHFFFAOYSA-N",
      "OH_k298": "4.43e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "4.2e-11",
      "OH_B": "670",
      "OH_n": "",
      "OH_t_low": "296",
      "OH_t_high": "374",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4e-13",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.12e-11",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "4.7e-11",
      "Cl_B": "241",
      "Cl_n": "",
      "Cl_t_low": "273",
      "Cl_t_high": "363"
    },
    {
      "cmpd_name": "(E)-1,1,2,2,3,4-hexafluorocyclobutane",
      "cmpd_mwt": "164.05",
      "cmpd_formula": "C4H2F6",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "F[C@@H]1[C@@H](F)C(C1(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H2F6/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2-/m1/s1",
      "cmpd_inchikey": "LMSLTAIWOIYSGZ-JCYAYHJZSA-N",
      "OH_k298": "8.23e-15",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "7.64e-13",
      "OH_B": "1350",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chloro-2,2,3,3-tetrafluorocyclobutane",
      "cmpd_mwt": "162.51",
      "cmpd_formula": "C4H3F4Cl",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ClC1CC(C1(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H3ClF4/c5-2-1-3(6,7)4(2,8)9/h2H,1H2",
      "cmpd_inchikey": "JZTOHBFNNYFPIP-UHFFFAOYSA-N",
      "OH_k298": "4.53e-14",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "5.25e-13",
      "OH_B": "730",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1,1,2,2,3,4-hexafluorocyclobutane",
      "cmpd_mwt": "164.05",
      "cmpd_formula": "C4H2F6",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "F[C@@H]1[C@H](F)C(C1(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H2F6/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2+",
      "cmpd_inchikey": "LMSLTAIWOIYSGZ-XIXRPRMCSA-N",
      "OH_k298": "2.03e-14",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "1.03e-12",
      "OH_B": "1170",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1,1,2,2-tetrafluoro-3,4-dichlorocyclobutane",
      "cmpd_mwt": "196.96",
      "cmpd_formula": "C4H2F4Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "Cl[C@@H]1[C@H](Cl)C(C1(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H2Cl2F4/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2+",
      "cmpd_inchikey": "JBURHGGSMXPAPP-XIXRPRMCSA-N",
      "OH_k298": "1.03e-13",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "7.73e-13",
      "OH_B": "600",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1,1,2,2-tetrafluoro-3,4-dichlorocyclobutane",
      "cmpd_mwt": "196.96",
      "cmpd_formula": "C4H2F4Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "Cl[C@H]1[C@H](Cl)C(C1(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H2Cl2F4/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2-/m0/s1",
      "cmpd_inchikey": "JBURHGGSMXPAPP-LWMBPPNESA-N",
      "OH_k298": "3.26e-14",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "4.46e-13",
      "OH_B": "780",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2-trifluoro-2,3,3-trichlorocyclobutane",
      "cmpd_mwt": "213.41",
      "cmpd_formula": "C4H2F3Cl3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC1(F)CC(C1(F)Cl)(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C4H2Cl3F3/c5-2(6)1-3(8,9)4(2,7)10/h1H2",
      "cmpd_inchikey": "YMUQFZZNJWUHMC-UHFFFAOYSA-N",
      "OH_k298": "4.35e-15",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.44e-13",
      "OH_B": "1200",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2,2,3,3,4-heptafluorocyclobutane",
      "cmpd_mwt": "182.04",
      "cmpd_formula": "C4HF7",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC1C(F)(F)C(C1(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4HF7/c5-1-2(6,7)4(10,11)3(1,8)9/h1H",
      "cmpd_inchikey": "LGWNSTJNCWGDPH-UHFFFAOYSA-N",
      "OH_k298": "1.63e-14",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "5.52e-13",
      "OH_B": "1050",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1,1,2,2,3-pentafluoro-4-chlorocyclobutane",
      "cmpd_mwt": "180.5",
      "cmpd_formula": "C4H2F5Cl",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "F[C@H]1[C@H](Cl)C(C1(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H2ClF5/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2-/m0/s1",
      "cmpd_inchikey": "TUQAWSUXFUXTIQ-LWMBPPNESA-N",
      "OH_k298": "1.94e-14",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "3.37e-13",
      "OH_B": "850",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2-trifluoro-2-chlorocyclobutane",
      "cmpd_mwt": "144.52",
      "cmpd_formula": "C4H4F3Cl",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC1(Cl)CCC1(F)F",
      "cmpd_inchi": "InChI=1S/C4H4ClF3/c5-3(6)1-2-4(3,7)8/h1-2H2",
      "cmpd_inchikey": "ZZQYDYODFHABLC-UHFFFAOYSA-N",
      "OH_k298": "3.33e-14",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "9.54e-13",
      "OH_B": "1000",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1,1,2-trifluoro-2,3-dichlorocyclobutane",
      "cmpd_mwt": "178.97",
      "cmpd_formula": "C4H3F3Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "Cl[C@H]1CC([C@]1(F)Cl)(F)F",
      "cmpd_inchi": "InChI=1S/C4H3Cl2F3/c5-2-1-3(7,8)4(2,6)9/h2H,1H2/t2-,4-/m0/s1",
      "cmpd_inchikey": "FWZZVIUMOYAUGC-OKKQSCSOSA-N",
      "OH_k298": "4.88e-14",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "5.47e-13",
      "OH_B": "720",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1,1,2-trifluoro-2,3-dichlorocyclobutane",
      "cmpd_mwt": "178.97",
      "cmpd_formula": "C4H3F3Cl2",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "Cl[C@H]1CC([C@@]1(F)Cl)(F)F",
      "cmpd_inchi": "InChI=1S/C4H3Cl2F3/c5-2-1-3(7,8)4(2,6)9/h2H,1H2/t2-,4+/m0/s1",
      "cmpd_inchikey": "FWZZVIUMOYAUGC-ZAFYKAAXSA-N",
      "OH_k298": "6.29e-14",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "5.21e-13",
      "OH_B": "630",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hydrazine",
      "cmpd_mwt": "32.05",
      "cmpd_formula": "H4N2",
      "cmpd_type": "inorganic cmpd.",
      "cmpd_smiles": "NN",
      "cmpd_inchi": "InChI=1S/H4N2/c1-2/h1-2H2",
      "cmpd_inchikey": "OAKJQQAXSVQMHS-UHFFFAOYSA-N",
      "OH_k298": "3.71e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.17e-11",
      "OH_B": "-160",
      "OH_n": "",
      "OH_t_low": "232",
      "OH_t_high": "633",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylhydrazine",
      "cmpd_mwt": "46.07",
      "cmpd_formula": "CH6N2",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CNN",
      "cmpd_inchi": "InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3",
      "cmpd_inchikey": "HDZGCSFEDULWCS-UHFFFAOYSA-N",
      "OH_k298": "6.11e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "4.59e-11",
      "OH_B": "-85",
      "OH_n": "",
      "OH_t_low": "258",
      "OH_t_high": "637",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1-dimethylhydrazine",
      "cmpd_mwt": "60.1",
      "cmpd_formula": "C2H8N2",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CN(N)C",
      "cmpd_inchi": "InChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3",
      "cmpd_inchikey": "RHUYHJGZWVXEHW-UHFFFAOYSA-N",
      "OH_k298": "6.03e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "3.35e-11",
      "OH_B": "-175",
      "OH_n": "",
      "OH_t_low": "254",
      "OH_t_high": "633",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylstyrene",
      "cmpd_mwt": "118.18",
      "cmpd_formula": "C9H10",
      "cmpd_type": "aromatic hydrocarbon with extra double or triple bonds",
      "cmpd_smiles": "C=Cc1ccccc1C",
      "cmpd_inchi": "InChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3",
      "cmpd_inchikey": "NVZWEEGUWXZOKI-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.1e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-methyl perfluorobutane sulfonamidoethanol",
      "cmpd_mwt": "357.19",
      "cmpd_formula": "C7H8NO3F9S",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C",
      "cmpd_inchi": "InChI=1S/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h18H,2-3H2,1H3",
      "cmpd_inchikey": "DSRUAYIFDCHEEV-UHFFFAOYSA-N",
      "OH_k298": "5.8e-12",
      "OH_uncert": "0.14",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-vinylpyridine",
      "cmpd_mwt": "105.14",
      "cmpd_formula": "C7H7N",
      "cmpd_type": "amine",
      "cmpd_smiles": "C=Cc1ccccn1",
      "cmpd_inchi": "InChI=1S/C7H7N/c1-2-7-5-3-4-6-8-7/h2-6H,1H2",
      "cmpd_inchikey": "KGIGUEBEKRSTEW-UHFFFAOYSA-N",
      "OH_k298": "5.61e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.46e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tetraethoxysilane",
      "cmpd_mwt": "208.33",
      "cmpd_formula": "C8H20O4Si",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCO[Si](OCC)(OCC)OCC",
      "cmpd_inchi": "InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3",
      "cmpd_inchikey": "BOTDANWDWHJENH-UHFFFAOYSA-N",
      "OH_k298": "2.99e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.41e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylsilane",
      "cmpd_mwt": "46.14",
      "cmpd_formula": "CH6Si",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[SiH3]",
      "cmpd_inchi": "InChI=1S/CH6Si/c1-2/h1-2H3",
      "cmpd_inchikey": "UIUXUFNYAYAMOE-UHFFFAOYSA-N",
      "OH_k298": "3.3e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethylsilane",
      "cmpd_mwt": "60.17",
      "cmpd_formula": "C2H8Si",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[SiH2]C",
      "cmpd_inchi": "InChI=1S/C2H8Si/c1-3-2/h3H2,1-2H3",
      "cmpd_inchikey": "UBHZUDXTHNMNLD-UHFFFAOYSA-N",
      "OH_k298": "4.4e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "p-dichlorobenzene",
      "cmpd_mwt": "147",
      "cmpd_formula": "C6H4Cl2",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccc(cc1)Cl",
      "cmpd_inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H",
      "cmpd_inchikey": "OCJBOOLMMGQPQU-UHFFFAOYSA-N",
      "OH_k298": "4.03e-13",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-picoline",
      "cmpd_mwt": "93.13",
      "cmpd_formula": "C6H7N",
      "cmpd_type": "amine",
      "cmpd_smiles": "Cc1ccccn1",
      "cmpd_inchi": "InChI=1S/C6H7N/c1-6-4-2-3-5-7-6/h2-5H,1H3",
      "cmpd_inchikey": "BSKHPKMHTQYZBB-UHFFFAOYSA-N",
      "OH_k298": "2.79e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-picoline",
      "cmpd_mwt": "93.13",
      "cmpd_formula": "C6H7N",
      "cmpd_type": "amine",
      "cmpd_smiles": "Cc1cccnc1",
      "cmpd_inchi": "InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3",
      "cmpd_inchikey": "ITQTTZVARXURQS-UHFFFAOYSA-N",
      "OH_k298": "2.3e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-picoline",
      "cmpd_mwt": "93.13",
      "cmpd_formula": "C6H7N",
      "cmpd_type": "amine",
      "cmpd_smiles": "Cc1ccncc1",
      "cmpd_inchi": "InChI=1S/C6H7N/c1-6-2-4-7-5-3-6/h2-5H,1H3",
      "cmpd_inchikey": "FKNQCJSGGFJEIZ-UHFFFAOYSA-N",
      "OH_k298": "2.69e-12",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-lutidine",
      "cmpd_mwt": "107.15",
      "cmpd_formula": "C7H9N",
      "cmpd_type": "amine",
      "cmpd_smiles": "Cc1ncccc1C",
      "cmpd_inchi": "InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3",
      "cmpd_inchikey": "HPYNZHMRTTWQTB-UHFFFAOYSA-N",
      "OH_k298": "4.9e-12",
      "OH_uncert": "0.22",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4-lutidine",
      "cmpd_mwt": "107.15",
      "cmpd_formula": "C7H9N",
      "cmpd_type": "amine",
      "cmpd_smiles": "Cc1ccnc(c1)C",
      "cmpd_inchi": "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3",
      "cmpd_inchikey": "JYYNAJVZFGKDEQ-UHFFFAOYSA-N",
      "OH_k298": "1.9e-11",
      "OH_uncert": "0.18",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,5-lutidine",
      "cmpd_mwt": "107.15",
      "cmpd_formula": "C7H9N",
      "cmpd_type": "amine",
      "cmpd_smiles": "Cc1ccc(cn1)C",
      "cmpd_inchi": "InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3",
      "cmpd_inchikey": "XWKFPIODWVPXLX-UHFFFAOYSA-N",
      "OH_k298": "5.61e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,6-lutidine",
      "cmpd_mwt": "107.15",
      "cmpd_formula": "C7H9N",
      "cmpd_type": "amine",
      "cmpd_smiles": "Cc1cccc(n1)C",
      "cmpd_inchi": "InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3",
      "cmpd_inchikey": "OISVCGZHLKNMSJ-UHFFFAOYSA-N",
      "OH_k298": "8.88e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4-lutidine",
      "cmpd_mwt": "107.15",
      "cmpd_formula": "C7H9N",
      "cmpd_type": "amine",
      "cmpd_smiles": "Cc1cnccc1C",
      "cmpd_inchi": "InChI=1S/C7H9N/c1-6-3-4-8-5-7(6)2/h3-5H,1-2H3",
      "cmpd_inchikey": "NURQLCJSMXZBPC-UHFFFAOYSA-N",
      "OH_k298": "3.05e-12",
      "OH_uncert": "0.14",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,5-lutidine",
      "cmpd_mwt": "107.15",
      "cmpd_formula": "C7H9N",
      "cmpd_type": "amine",
      "cmpd_smiles": "Cc1cncc(c1)C",
      "cmpd_inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3",
      "cmpd_inchikey": "HWWYDZCSSYKIAD-UHFFFAOYSA-N",
      "OH_k298": "4.41e-12",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethylpyridine",
      "cmpd_mwt": "107.15",
      "cmpd_formula": "C7H9N",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCc1ccccn1",
      "cmpd_inchi": "InChI=1S/C7H9N/c1-2-7-5-3-4-6-8-7/h3-6H,2H2,1H3",
      "cmpd_inchikey": "NRGGMCIBEHEAIL-UHFFFAOYSA-N",
      "OH_k298": "7.1e-12",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-ethylpyridine",
      "cmpd_mwt": "107.15",
      "cmpd_formula": "C7H9N",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCc1cccnc1",
      "cmpd_inchi": "InChI=1S/C7H9N/c1-2-7-4-3-5-8-6-7/h3-6H,2H2,1H3",
      "cmpd_inchikey": "MFEIKQPHQINPRI-UHFFFAOYSA-N",
      "OH_k298": "3.59e-12",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-ethylpyridine",
      "cmpd_mwt": "107.15",
      "cmpd_formula": "C7H9N",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCc1ccncc1",
      "cmpd_inchi": "InChI=1S/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3",
      "cmpd_inchikey": "VJXRKZJMGVSXPX-UHFFFAOYSA-N",
      "OH_k298": "3.89e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3,5-triazine",
      "cmpd_mwt": "81.08",
      "cmpd_formula": "C3H3N3",
      "cmpd_type": "amine",
      "cmpd_smiles": "n1cncnc1",
      "cmpd_inchi": "InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H",
      "cmpd_inchikey": "JIHQDMXYYFUGFV-UHFFFAOYSA-N",
      "OH_k298": "1.5e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "aniline",
      "cmpd_mwt": "93.13",
      "cmpd_formula": "C6H7N",
      "cmpd_type": "amine",
      "cmpd_smiles": "Nc1ccccc1",
      "cmpd_inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2",
      "cmpd_inchikey": "PAYRUJLWNCNPSJ-UHFFFAOYSA-N",
      "OH_k298": "1.19e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N,N-dimethylaniline",
      "cmpd_mwt": "121.18",
      "cmpd_formula": "C8H11N",
      "cmpd_type": "amine",
      "cmpd_smiles": "CN(c1ccccc1)C",
      "cmpd_inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3",
      "cmpd_inchikey": "JLTDJTHDQAWBAV-UHFFFAOYSA-N",
      "OH_k298": "1.48e-10",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "p-chloroaniline",
      "cmpd_mwt": "127.57",
      "cmpd_formula": "C6H6NCl",
      "cmpd_type": "amine",
      "cmpd_smiles": "Nc1ccc(cc1)Cl",
      "cmpd_inchi": "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2",
      "cmpd_inchikey": "QSNSCYSYFYORTR-UHFFFAOYSA-N",
      "OH_k298": "8.3e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "o-dichlorobenzene",
      "cmpd_mwt": "147",
      "cmpd_formula": "C6H4Cl2",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccccc1Cl",
      "cmpd_inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H",
      "cmpd_inchikey": "RFFLAFLAYFXFSW-UHFFFAOYSA-N",
      "OH_k298": "4.2e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "m-dichlorobenzene",
      "cmpd_mwt": "147",
      "cmpd_formula": "C6H4Cl2",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1cccc(c1)Cl",
      "cmpd_inchi": "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H",
      "cmpd_inchikey": "ZPQOPVIELGIULI-UHFFFAOYSA-N",
      "OH_k298": "7.2e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "fluorobenzene",
      "cmpd_mwt": "96.1",
      "cmpd_formula": "C6H5F",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Fc1ccccc1",
      "cmpd_inchi": "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H",
      "cmpd_inchikey": "PYLWMHQQBFSUBP-UHFFFAOYSA-N",
      "OH_k298": "6.31e-13",
      "OH_uncert": "0.13",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chlorobenzene",
      "cmpd_mwt": "112.56",
      "cmpd_formula": "C6H5Cl",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccccc1",
      "cmpd_inchi": "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H",
      "cmpd_inchikey": "MVPPADPHJFYWMZ-UHFFFAOYSA-N",
      "OH_k298": "8.11e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hexafluorobenzene",
      "cmpd_mwt": "186.05",
      "cmpd_formula": "C6F6",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Fc1c(F)c(F)c(c(c1F)F)F",
      "cmpd_inchi": "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9",
      "cmpd_inchikey": "ZQBFAOFFOQMSGJ-UHFFFAOYSA-N",
      "OH_k298": "1.61e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.3e-12",
      "OH_B": "610",
      "OH_n": "",
      "OH_t_low": "234",
      "OH_t_high": "438",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "benzonitrile",
      "cmpd_mwt": "103.12",
      "cmpd_formula": "C7H5N",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "N#Cc1ccccc1",
      "cmpd_inchi": "InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H",
      "cmpd_inchikey": "JFDZBHWFFUWGJE-UHFFFAOYSA-N",
      "OH_k298": "3.3e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethyl phosphonate",
      "cmpd_mwt": "110.05",
      "cmpd_formula": "C2H7O3P",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "COP(=O)OC",
      "cmpd_inchi": "InChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3",
      "cmpd_inchikey": "HZCDANOFLILNSA-UHFFFAOYSA-N",
      "OH_k298": "4.97e-12",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "1.01e-12",
      "OH_B": "-474",
      "OH_n": "",
      "OH_t_low": "278",
      "OH_t_high": "351",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethyl methylphosphonate",
      "cmpd_mwt": "124.08",
      "cmpd_formula": "C3H9O3P",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "COP(=O)(OC)C",
      "cmpd_inchi": "InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3",
      "cmpd_inchikey": "VONWDASPFIQPDY-UHFFFAOYSA-N",
      "OH_k298": "1.09e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "6.25e-14",
      "OH_B": "-1538",
      "OH_n": "",
      "OH_t_low": "283",
      "OH_t_high": "348",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethyl ethylphosphonate",
      "cmpd_mwt": "138.1",
      "cmpd_formula": "C4H11O3P",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCP(=O)(OC)OC",
      "cmpd_inchi": "InChI=1S/C4H11O3P/c1-4-8(5,6-2)7-3/h4H2,1-3H3",
      "cmpd_inchikey": "YHQMSHVVGOSZEW-UHFFFAOYSA-N",
      "OH_k298": "1.58e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "9.03e-14",
      "OH_B": "-1539",
      "OH_n": "",
      "OH_t_low": "283",
      "OH_t_high": "348",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diethyl methylphosphonate",
      "cmpd_mwt": "152.13",
      "cmpd_formula": "C5H13O3P",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCOP(=O)(OCC)C",
      "cmpd_inchi": "InChI=1S/C5H13O3P/c1-4-7-9(3,6)8-5-2/h4-5H2,1-3H3",
      "cmpd_inchikey": "NYYLZXREFNYPKB-UHFFFAOYSA-N",
      "OH_k298": "5.53e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "4.35e-13",
      "OH_B": "-1444",
      "OH_n": "",
      "OH_t_low": "283",
      "OH_t_high": "348",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-thioxane",
      "cmpd_mwt": "104.17",
      "cmpd_formula": "C4H8OS",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "C1COCCS1",
      "cmpd_inchi": "InChI=1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2",
      "cmpd_inchikey": "JBYHSSAVUBIJMK-UHFFFAOYSA-N",
      "OH_k298": "2.03e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.54e-12",
      "OH_B": "-619",
      "OH_n": "",
      "OH_t_low": "278",
      "OH_t_high": "349",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.1e-14",
      "NO3_uncert": "0.22",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-dithiane",
      "cmpd_mwt": "120.24",
      "cmpd_formula": "C4H8S2",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "S1CCSCC1",
      "cmpd_inchi": "InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2",
      "cmpd_inchikey": "LOZWAPSEEHRYPG-UHFFFAOYSA-N",
      "OH_k298": "2.98e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3.71e-12",
      "OH_B": "-621",
      "OH_n": "",
      "OH_t_low": "278",
      "OH_t_high": "350",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.9e-14",
      "NO3_uncert": "0.31",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "divinyl sulfoxide",
      "cmpd_mwt": "102.15",
      "cmpd_formula": "C4H6OS",
      "cmpd_type": "sulfoxide",
      "cmpd_smiles": "C=CS(=O)C=C",
      "cmpd_inchi": "InChI=1S/C4H6OS/c1-3-6(5)4-2/h3-4H,1-2H2",
      "cmpd_inchikey": "HQSMEHLVLOGBCK-UHFFFAOYSA-N",
      "OH_k298": "7.43e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "4.17e-12",
      "OH_B": "-858",
      "OH_n": "",
      "OH_t_low": "277",
      "OH_t_high": "349",
      "O3_k298": "4.3e-19",
      "O3_uncert": "0.23",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.1e-16",
      "NO3_uncert": "0.23",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropyl methyl methylphosphonate",
      "cmpd_mwt": "152.13",
      "cmpd_formula": "C5H13O3P",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "COP(=O)(OC(C)C)C",
      "cmpd_inchi": "InChI=1S/C5H13O3P/c1-5(2)8-9(4,6)7-3/h5H,1-4H3",
      "cmpd_inchikey": "GDBDOLDINYFAKS-UHFFFAOYSA-N",
      "OH_k298": "6.72e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "2.72e-13",
      "OH_B": "-1642",
      "OH_n": "",
      "OH_t_low": "283",
      "OH_t_high": "350",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.8e-16",
      "NO3_uncert": "0.44",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethyl N,N-dimethylphosphoroamidate",
      "cmpd_mwt": "153.12",
      "cmpd_formula": "C4H12NO3P",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "COP(=O)(N(C)C)OC",
      "cmpd_inchi": "InChI=1S/C4H12NO3P/c1-5(2)9(6,7-3)8-4/h1-4H3",
      "cmpd_inchikey": "NEVPGZLSKXATIM-UHFFFAOYSA-N",
      "OH_k298": "3.23e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "6.05e-13",
      "OH_B": "-1185",
      "OH_n": "",
      "OH_t_low": "284",
      "OH_t_high": "350",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methoxy-3-methyl-1-butanol",
      "cmpd_mwt": "118.17",
      "cmpd_formula": "C6H14O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "OCCC(OC)(C)C",
      "cmpd_inchi": "InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3",
      "cmpd_inchikey": "MFKRHJVUCZRDTF-UHFFFAOYSA-N",
      "OH_k298": "1.64e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dichlorvos",
      "cmpd_mwt": "220.98",
      "cmpd_formula": "C4H7O4PCl2",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "COP(=O)(OC=C(Cl)Cl)OC",
      "cmpd_inchi": "InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3",
      "cmpd_inchikey": "OEBRKCOSUFCWJD-UHFFFAOYSA-N",
      "OH_k298": "2.7e-11",
      "OH_uncert": "0.28",
      "OH_u_fac": "",
      "OH_A": "2.75e-13",
      "OH_B": "-1367",
      "OH_n": "",
      "OH_t_low": "296",
      "OH_t_high": "348",
      "O3_k298": "1.7e-19",
      "O3_uncert": "",
      "O3_u_fac": "1.6",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.5e-13",
      "NO3_uncert": "0.2",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane",
      "cmpd_mwt": "420.07",
      "cmpd_formula": "C8HF17",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C8HF17/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H",
      "cmpd_inchikey": "KBHBUUBXEQUIMV-UHFFFAOYSA-N",
      "OH_k298": "2.49e-15",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "4.32e-13",
      "OH_B": "1540",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "perfluoro-i-butyl formate",
      "cmpd_mwt": "264.05",
      "cmpd_formula": "C5HO2F9",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=COC(C(C(F)(F)F)(C(F)(F)F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5HF9O2/c6-2(3(7,8)9,4(10,11)12)5(13,14)16-1-15/h1H",
      "cmpd_inchikey": "SJAGXSKNPHZINQ-UHFFFAOYSA-N",
      "OH_k298": "1.67e-14",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl levulinate",
      "cmpd_mwt": "144.17",
      "cmpd_formula": "C7H12O3",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "CCOC(=O)CCC(=O)C",
      "cmpd_inchi": "InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3",
      "cmpd_inchikey": "GMEONFUTDYJSNV-UHFFFAOYSA-N",
      "OH_k298": "3.43e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chlorpyrifos-methyl",
      "cmpd_mwt": "322.53",
      "cmpd_formula": "C7H7NO3PSCl3",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC",
      "cmpd_inchi": "InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3",
      "cmpd_inchikey": "HRBKVYFZANMGRE-UHFFFAOYSA-N",
      "OH_k298": "4.1e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diazinon",
      "cmpd_mwt": "304.35",
      "cmpd_formula": "C12H21N2O3PS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC",
      "cmpd_inchi": "InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3",
      "cmpd_inchikey": "FHIVAFMUCKRCQO-UHFFFAOYSA-N",
      "OH_k298": "3.5e-11",
      "OH_uncert": "0.34",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chloroethyl vinyl ether",
      "cmpd_mwt": "106.55",
      "cmpd_formula": "C4H7OCl",
      "cmpd_type": "unsaturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "ClCCOC=C",
      "cmpd_inchi": "InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2",
      "cmpd_inchikey": "DNJRKFKAFWSXSE-UHFFFAOYSA-N",
      "OH_k298": "4.16e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "5.77e-12",
      "OH_B": "-588.284572250775",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "333",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "allyl ether",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "C=CCOCC=C",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2",
      "cmpd_inchikey": "ATVJXMYDOSMEPO-UHFFFAOYSA-N",
      "OH_k298": "6.3e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.43e-11",
      "OH_B": "-442",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "358",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "allyl ethyl ether",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "CCOCC=C",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3",
      "cmpd_inchikey": "OJPSFJLSZZTSDF-UHFFFAOYSA-N",
      "OH_k298": "3.95e-11",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "5.97e-12",
      "OH_B": "-563",
      "OH_n": "",
      "OH_t_low": "263",
      "OH_t_high": "358",
      "O3_k298": "8.69e-18",
      "O3_uncert": "0.14",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methoxy-6-(trifluoromethyl)pyridine",
      "cmpd_mwt": "177.12",
      "cmpd_formula": "C7H6NOF3",
      "cmpd_type": "amine",
      "cmpd_smiles": "COc1cccc(n1)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C7H6F3NO/c1-12-6-4-2-3-5(11-6)7(8,9)10/h2-4H,1H3",
      "cmpd_inchikey": "VBEYJZVICNLLDA-UHFFFAOYSA-N",
      "OH_k298": "1.54e-12",
      "OH_uncert": "0.14",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diethylamine",
      "cmpd_mwt": "73.14",
      "cmpd_formula": "C4H11N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CCNCC",
      "cmpd_inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3",
      "cmpd_inchikey": "HPNMFZURTQLUMO-UHFFFAOYSA-N",
      "OH_k298": "8.89e-11",
      "OH_uncert": "0.29",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,3,3,3-pentamethyldisiloxan-1-ol",
      "cmpd_mwt": "164.35",
      "cmpd_formula": "C5H16O2Si2",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si](O[Si](O)(C)C)(C)C",
      "cmpd_inchi": "InChI=1S/C5H16O2Si2/c1-8(2,3)7-9(4,5)6/h6H,1-5H3",
      "cmpd_inchikey": "FGOLZCPMTWJPOU-UHFFFAOYSA-N",
      "OH_k298": "1.76e-12",
      "OH_uncert": "0.22",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hymexazol",
      "cmpd_mwt": "99.09",
      "cmpd_formula": "C4H5NO2",
      "cmpd_type": "amine",
      "cmpd_smiles": "Oc1noc(c1)C",
      "cmpd_inchi": "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)",
      "cmpd_inchikey": "KGVPNLBXJKTABS-UHFFFAOYSA-N",
      "OH_k298": "4.9e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isoxazole",
      "cmpd_mwt": "69.06",
      "cmpd_formula": "C3H3NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "c1ccno1",
      "cmpd_inchi": "InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H",
      "cmpd_inchikey": "CTAPFRYPJLPFDF-UHFFFAOYSA-N",
      "OH_k298": "1.1e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-aminoethanol",
      "cmpd_mwt": "61.08",
      "cmpd_formula": "C2H7NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "NCCO",
      "cmpd_inchi": "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2",
      "cmpd_inchikey": "HZAXFHJVJLSVMW-UHFFFAOYSA-N",
      "OH_k298": "7.94e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propachlor",
      "cmpd_mwt": "211.69",
      "cmpd_formula": "C11H14NOCl",
      "cmpd_type": "amine",
      "cmpd_smiles": "ClCC(=O)N(c1ccccc1)C(C)C",
      "cmpd_inchi": "InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",
      "cmpd_inchikey": "MFOUDYKPLGXPGO-UHFFFAOYSA-N",
      "OH_k298": "1.5e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N,N-diisopropylaniline",
      "cmpd_mwt": "177.29",
      "cmpd_formula": "C12H19N",
      "cmpd_type": "amine",
      "cmpd_smiles": "CC(N(c1ccccc1)C(C)C)C",
      "cmpd_inchi": "InChI=1S/C12H19N/c1-10(2)13(11(3)4)12-8-6-5-7-9-12/h5-11H,1-4H3",
      "cmpd_inchikey": "OVSARSKQWCLSJT-UHFFFAOYSA-N",
      "OH_k298": "4.4e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-methylacetanilide",
      "cmpd_mwt": "149.19",
      "cmpd_formula": "C9H11NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "CN(c1ccccc1)C(=O)C",
      "cmpd_inchi": "InChI=1S/C9H11NO/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3",
      "cmpd_inchikey": "LMTGCJANOQOGPI-UHFFFAOYSA-N",
      "OH_k298": "2.7e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-4-hydroperoxy-2-hexenal",
      "cmpd_mwt": "130.14",
      "cmpd_formula": "C6H10O3",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "CCC(/C=C/C=O)OO",
      "cmpd_inchi": "InChI=1S/C6H10O3/c1-2-6(9-8)4-3-5-7/h3-6,8H,2H2,1H3/b4-3+",
      "cmpd_inchikey": "MBDHGTINVXQISQ-ONEGZZNKSA-N",
      "OH_k298": "5.1e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.2e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-3-hexenal",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "CC/C=C\\CC=O",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-",
      "cmpd_inchikey": "GXANMBISFKBPEX-ARJAWSKDSA-N",
      "OH_k298": "6.9e-11",
      "OH_uncert": "0.13",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.5e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-chloro-1,1,1,2,4,4,4-heptafluoro-2-butene",
      "cmpd_mwt": "216.48",
      "cmpd_formula": "C4F7Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC(=C(C(F)(F)F)Cl)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4ClF7/c5-1(3(7,8)9)2(6)4(10,11)12",
      "cmpd_inchikey": "WZCQDYGWGDYQNC-UHFFFAOYSA-N",
      "OH_k298": "3.3e-13",
      "OH_uncert": "0.27",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4,4,4-trifluoro-2-buten-1-ol",
      "cmpd_mwt": "126.08",
      "cmpd_formula": "C4H5OF3",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCC=CC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h1-2,8H,3H2",
      "cmpd_inchikey": "UUTWQLLIVDODPQ-UHFFFAOYSA-N",
      "OH_k298": "3.3e-11",
      "OH_uncert": "0.27",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl N,N,N′,N′-tetramethylphosphorodiamidate",
      "cmpd_mwt": "166.16",
      "cmpd_formula": "C5H15N2O2P",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "COP(=O)(N(C)C)N(C)C",
      "cmpd_inchi": "InChI=1S/C5H15N2O2P/c1-6(2)10(8,9-5)7(3)4/h1-5H3",
      "cmpd_inchikey": "INVSPTPFWCPGCR-UHFFFAOYSA-N",
      "OH_k298": "1.73e-10",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "4.96e-12",
      "OH_B": "-1058",
      "OH_n": "",
      "OH_t_low": "281",
      "OH_t_high": "349",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.4e-12",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl N,N,N′,N′-tetramethylphosphorodiamidate",
      "cmpd_mwt": "180.19",
      "cmpd_formula": "C6H17N2O2P",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCOP(=O)(N(C)C)N(C)C",
      "cmpd_inchi": "InChI=1S/C6H17N2O2P/c1-6-10-11(9,7(2)3)8(4)5/h6H2,1-5H3",
      "cmpd_inchikey": "WOQVAMZDMJUHGB-UHFFFAOYSA-N",
      "OH_k298": "2.07e-10",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "4.46e-12",
      "OH_B": "-1144",
      "OH_n": "",
      "OH_t_low": "281",
      "OH_t_high": "349",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "O,S-dimethyl methylphosphonothioate",
      "cmpd_mwt": "140.14",
      "cmpd_formula": "C3H9O2PS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "COP(=O)(SC)C",
      "cmpd_inchi": "InChI=1S/C3H9O2PS/c1-5-6(2,4)7-3/h1-3H3",
      "cmpd_inchikey": "XXJOBAQYIIOHIP-UHFFFAOYSA-N",
      "OH_k298": "1.37e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.31e-13",
      "OH_B": "-1370",
      "OH_n": "",
      "OH_t_low": "281",
      "OH_t_high": "349",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E+Z)-2-formylcinnamaldehyde",
      "cmpd_mwt": "160.17",
      "cmpd_formula": "C10H8O2",
      "cmpd_type": "mixed oxygenate",
      "cmpd_smiles": "O=CC=Cc1ccccc1C=O",
      "cmpd_inchi": "InChI=1S/C10H8O2/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-8H",
      "cmpd_inchikey": "NKUFAJLJAJWLPR-UHFFFAOYSA-N",
      "OH_k298": "2.1e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-formylcinnamaldehyde",
      "cmpd_mwt": "160.17",
      "cmpd_formula": "C10H8O2",
      "cmpd_type": "mixed oxygenate",
      "cmpd_smiles": "O=C/C=C/c1ccccc1C=O",
      "cmpd_inchi": "InChI=1S/C10H8O2/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-8H/b6-3+",
      "cmpd_inchikey": "NKUFAJLJAJWLPR-ZZXKWVIFSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.8e-18",
      "O3_uncert": "0.3",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.3e-14",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4,5-trimethylbenzaldehyde",
      "cmpd_mwt": "148.2",
      "cmpd_formula": "C10H12O",
      "cmpd_type": "aromatic aldehyde",
      "cmpd_smiles": "O=Cc1cc(C)c(cc1C)C",
      "cmpd_inchi": "InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3",
      "cmpd_inchikey": "LROJZZICACKNJL-UHFFFAOYSA-N",
      "OH_k298": "4.27e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methyl-3-hexene-2,5-dione",
      "cmpd_mwt": "126.15",
      "cmpd_formula": "C7H10O2",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC(=O)C=C(C(=O)C)C",
      "cmpd_inchi": "InChI=1S/C7H10O2/c1-5(7(3)9)4-6(2)8/h4H,1-3H3",
      "cmpd_inchikey": "SGWFXGZCQBUONH-UHFFFAOYSA-N",
      "OH_k298": "9.4e-11",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl chavicol",
      "cmpd_mwt": "148.2",
      "cmpd_formula": "C10H12O",
      "cmpd_type": "mixed oxygenate",
      "cmpd_smiles": "COc1ccc(cc1)CC=C",
      "cmpd_inchi": "InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3",
      "cmpd_inchikey": "ZFMSMUAANRJZFM-UHFFFAOYSA-N",
      "OH_k298": "5.2e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.03e-17",
      "O3_uncert": "0.22",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.58e-14",
      "NO3_uncert": "0.19",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide",
      "cmpd_mwt": "241.11",
      "cmpd_formula": "C6H6NOF7",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCNC(=O)C(C(C(F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H6F7NO/c1-2-14-3(15)4(7,8)5(9,10)6(11,12)13/h2H2,1H3,(H,14,15)",
      "cmpd_inchikey": "PNDQTLWFMTZBFC-UHFFFAOYSA-N",
      "OH_k298": "2.65e-12",
      "OH_uncert": "0.19",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.08e-11",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-(2-methyl-2-oxiranyl)ethane-1,2-diol",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "CC1(CO1)C(CO)O",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-5(3-8-5)4(7)2-6/h4,6-7H,2-3H2,1H3",
      "cmpd_inchikey": "REKLCZSNEUFIBP-UHFFFAOYSA-N",
      "OH_k298": "3.52e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(3-methyl-3-methylol-oxiran-2-yl)methanol",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "OCC1OC1(C)CO",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-5(3-7)4(2-6)8-5/h4,6-7H,2-3H2,1H3",
      "cmpd_inchikey": "FLVAIUDBQNOKHB-UHFFFAOYSA-N",
      "OH_k298": "3.6e-11",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "[(E)-3-methyl-3-methylol-oxiran-2-yl]methanol",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "OC[C@H]1O[C@]1(C)CO",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-5(3-7)4(2-6)8-5/h4,6-7H,2-3H2,1H3/t4-,5-/m1/s1",
      "cmpd_inchikey": "FLVAIUDBQNOKHB-RFZPGFLSSA-N",
      "OH_k298": "9.8e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4-tetrafluorocyclobutene",
      "cmpd_mwt": "126.05",
      "cmpd_formula": "C4H2F4",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC1(F)C=CC1(F)F",
      "cmpd_inchi": "InChI=1S/C4H2F4/c5-3(6)1-2-4(3,7)8/h1-2H",
      "cmpd_inchikey": "GHTJJDFBXCKNEO-UHFFFAOYSA-N",
      "OH_k298": "1.73e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "3.28e-13",
      "OH_B": "190",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "epichlorohydrin",
      "cmpd_mwt": "92.52",
      "cmpd_formula": "C3H5OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "ClCC1CO1",
      "cmpd_inchi": "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2",
      "cmpd_inchikey": "BRLQWZUYTZBJKN-UHFFFAOYSA-N",
      "OH_k298": "3.97e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.05e-14",
      "OH_B": "-1082",
      "OH_n": "5.16",
      "OH_t_low": "230",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "morpholine",
      "cmpd_mwt": "87.12",
      "cmpd_formula": "C4H9NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "C1CNCCO1",
      "cmpd_inchi": "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2",
      "cmpd_inchikey": "YNAVUWVOSKDBBP-UHFFFAOYSA-N",
      "OH_k298": "1.1e-10",
      "OH_uncert": "0.39",
      "OH_u_fac": "",
      "OH_A": "1.52e-11",
      "OH_B": "-590",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "363",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-formylmorpholine",
      "cmpd_mwt": "115.13",
      "cmpd_formula": "C5H9NO2",
      "cmpd_type": "amine",
      "cmpd_smiles": "O=CN1CCOCC1",
      "cmpd_inchi": "InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2",
      "cmpd_inchikey": "LCEDQNDDFOCWGG-UHFFFAOYSA-N",
      "OH_k298": "4e-11",
      "OH_uncert": "0.28",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-acetlymorpholine",
      "cmpd_mwt": "129.16",
      "cmpd_formula": "C6H11NO2",
      "cmpd_type": "amine",
      "cmpd_smiles": "CC(=O)N1CCOCC1",
      "cmpd_inchi": "InChI=1S/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3",
      "cmpd_inchikey": "KYWXRBNOYGGPIZ-UHFFFAOYSA-N",
      "OH_k298": "3.8e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,4-dihydropyran",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "C1COC=CC1",
      "cmpd_inchi": "InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2",
      "cmpd_inchikey": "BUDQDWGNQVEFAC-UHFFFAOYSA-N",
      "OH_k298": "1.14e-10",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.14e-16",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.15e-10",
      "Cl_uncert": "0.14",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "beta-butyro-lactone",
      "cmpd_mwt": "86.09",
      "cmpd_formula": "C4H6O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "CC1CC(=O)O1",
      "cmpd_inchi": "InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3",
      "cmpd_inchikey": "GSCLMSFRWBPUSK-UHFFFAOYSA-N",
      "OH_k298": "9.7e-13",
      "OH_uncert": "0.27",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "gamma-butyro-lactone",
      "cmpd_mwt": "86.09",
      "cmpd_formula": "C4H6O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "O=C1CCCO1",
      "cmpd_inchi": "InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2",
      "cmpd_inchikey": "YEJRWHAVMIAJKC-UHFFFAOYSA-N",
      "OH_k298": "2.9e-12",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "delta-valero-lactone",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "ester",
      "cmpd_smiles": "O=C1CCCCO1",
      "cmpd_inchi": "InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2",
      "cmpd_inchikey": "OZJPLYNZGCXSJM-UHFFFAOYSA-N",
      "OH_k298": "5.24e-12",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "formamide",
      "cmpd_mwt": "45.04",
      "cmpd_formula": "CH3NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "NC=O",
      "cmpd_inchi": "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)",
      "cmpd_inchikey": "ZHNUHDYFZUAESO-UHFFFAOYSA-N",
      "OH_k298": "4.47e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.5e-11",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "acetamide",
      "cmpd_mwt": "59.07",
      "cmpd_formula": "C2H5NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "CC(=O)N",
      "cmpd_inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)",
      "cmpd_inchikey": "DLFVBJFMPXGRIB-UHFFFAOYSA-N",
      "OH_k298": "7.7e-13",
      "OH_uncert": "0.45",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.2e-11",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-4-methoxy-perfluorohept-3-ene",
      "cmpd_mwt": "362.09",
      "cmpd_formula": "C8H3OF13",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CO/C(=C(\\C(C(F)(F)F)(F)F)/F)/C(C(C(F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C8H3F13O/c1-22-3(2(9)4(10,11)7(16,17)18)5(12,13)6(14,15)8(19,20)21/h1H3/b3-2+",
      "cmpd_inchikey": "MCLOSLDOSVVONU-NSCUHMNNSA-N",
      "OH_k298": "2.87e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-3-methoxy-perfluorohept-3-ene",
      "cmpd_mwt": "362.09",
      "cmpd_formula": "C8H3OF13",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CO/C(=C(\\C(C(C(F)(F)F)(F)F)(F)F)/F)/C(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C8H3F13O/c1-22-3(5(12,13)7(16,17)18)2(9)4(10,11)6(14,15)8(19,20)21/h1H3/b3-2+",
      "cmpd_inchikey": "VEOVFFHCEBTNBP-NSCUHMNNSA-N",
      "OH_k298": "2.62e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-5(RS)-methoxy-perfluorohept-3-ene",
      "cmpd_mwt": "362.09",
      "cmpd_formula": "C8H3OF13",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(C(F)(F)F)(F)F)(/C(=C(/C(C(F)(F)F)(F)F)\\F)/F)F",
      "cmpd_inchi": "InChI=1S/C8H3F13O/c1-22-5(13,6(14,15)8(19,20)21)3(10)2(9)4(11,12)7(16,17)18/h1H3/b3-2+",
      "cmpd_inchikey": "PTKJSFYAFCRXCI-NSCUHMNNSA-N",
      "OH_k298": "3.19e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-4(RS)-methoxy-perfluorohept-2-ene",
      "cmpd_mwt": "362.09",
      "cmpd_formula": "C8H3OF13",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(C(C(F)(F)F)(F)F)(F)F)(/C(=C(/C(F)(F)F)\\F)/F)F",
      "cmpd_inchi": "InChI=1S/C8H3F13O/c1-22-4(11,2(9)3(10)5(12,13)14)6(15,16)7(17,18)8(19,20)21/h1H3/b3-2+",
      "cmpd_inchikey": "FXLKVRPCTNDVPR-NSCUHMNNSA-N",
      "OH_k298": "4.22e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-3-methoxy-perfluorohept-3-ene",
      "cmpd_mwt": "362.09",
      "cmpd_formula": "C8H3OF13",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CO/C(=C(/C(C(C(F)(F)F)(F)F)(F)F)\\F)/C(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C8H3F13O/c1-22-3(5(12,13)7(16,17)18)2(9)4(10,11)6(14,15)8(19,20)21/h1H3/b3-2-",
      "cmpd_inchikey": "VEOVFFHCEBTNBP-IHWYPQMZSA-N",
      "OH_k298": "1.04e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-4-methoxy-perfluorohept-3-ene",
      "cmpd_mwt": "362.09",
      "cmpd_formula": "C8H3OF13",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CO/C(=C(/C(C(F)(F)F)(F)F)\\F)/C(C(C(F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C8H3F13O/c1-22-3(2(9)4(10,11)7(16,17)18)5(12,13)6(14,15)8(19,20)21/h1H3/b3-2-",
      "cmpd_inchikey": "MCLOSLDOSVVONU-IHWYPQMZSA-N",
      "OH_k298": "2.73e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "phenylacetylene",
      "cmpd_mwt": "102.13",
      "cmpd_formula": "C8H6",
      "cmpd_type": "aromatic hydrocarbon with extra double or triple bonds",
      "cmpd_smiles": "C#Cc1ccccc1",
      "cmpd_inchi": "InChI=1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H",
      "cmpd_inchikey": "UEXCJVNBTNXOEH-UHFFFAOYSA-N",
      "OH_k298": "8.75e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "8.75e-11",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "423",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl isothiocyanate",
      "cmpd_mwt": "73.12",
      "cmpd_formula": "C2H3NS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CN=C=S",
      "cmpd_inchi": "InChI=1S/C2H3NS/c1-3-2-4/h1H3",
      "cmpd_inchikey": "LGDSHSYDSCRFAB-UHFFFAOYSA-N",
      "OH_k298": "1.69e-11",
      "OH_uncert": "0.18",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl isocyanate",
      "cmpd_mwt": "57.05",
      "cmpd_formula": "C2H3NO",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CN=C=O",
      "cmpd_inchi": "InChI=1S/C2H3NO/c1-3-2-4/h1H3",
      "cmpd_inchikey": "HAMGRBXTJNITHG-UHFFFAOYSA-N",
      "OH_k298": "1.36e-13",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "6.11e-12",
      "OH_B": "1119",
      "OH_n": "",
      "OH_t_low": "295",
      "OH_t_high": "375",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.12e-12",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylnitramine",
      "cmpd_mwt": "76.05",
      "cmpd_formula": "CH4N2O2",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "[O-][N+](=O)NC",
      "cmpd_inchi": "InChI=1S/CH4N2O2/c1-2-3(4)5/h2H,1H3",
      "cmpd_inchikey": "ARCZSDSOONGBRX-UHFFFAOYSA-N",
      "OH_k298": "9.5e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chlorpyrifos",
      "cmpd_mwt": "350.59",
      "cmpd_formula": "C9H11NO3PSCl3",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC",
      "cmpd_inchi": "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3",
      "cmpd_inchikey": "SBPBAQFWLVIOKP-UHFFFAOYSA-N",
      "OH_k298": "9.1e-11",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chlorpyrifos-oxon",
      "cmpd_mwt": "334.52",
      "cmpd_formula": "C9H11NO4PCl3",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC",
      "cmpd_inchi": "InChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3",
      "cmpd_inchikey": "OTMOUPHCTWPNSL-UHFFFAOYSA-N",
      "OH_k298": "1.7e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethalfluralin",
      "cmpd_mwt": "333.26",
      "cmpd_formula": "C13H14N3O4F3",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C",
      "cmpd_inchi": "InChI=1S/C13H14F3N3O4/c1-4-17(7-8(2)3)12-10(18(20)21)5-9(13(14,15)16)6-11(12)19(22)23/h5-6H,2,4,7H2,1,3H3",
      "cmpd_inchikey": "PTFJIKYUEPWBMS-UHFFFAOYSA-N",
      "OH_k298": "3.5e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.6e-17",
      "O3_uncert": "0.25",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "piperazine",
      "cmpd_mwt": "86.14",
      "cmpd_formula": "C4H10N2",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "N1CCNCC1",
      "cmpd_inchi": "InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2",
      "cmpd_inchikey": "GLUUGHFHXGJENI-UHFFFAOYSA-N",
      "OH_k298": "2.38e-10",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "2.8e-11",
      "OH_B": "-634",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "506",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "perfluoro propyl vinyl ether",
      "cmpd_mwt": "212.07",
      "cmpd_formula": "C5H3OF7",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "C=COC(C(C(F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H3F7O/c1-2-13-5(11,12)3(6,7)4(8,9)10/h2H,1H2",
      "cmpd_inchikey": "DAVCAHWKKDIRLY-UHFFFAOYSA-N",
      "OH_k298": "3.4e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "4.88e-13",
      "OH_B": "-564",
      "OH_n": "",
      "OH_t_low": "212",
      "OH_t_high": "298",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1,4-dimethylcyclohexane",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C[C@@H]1CC[C@@H](CC1)C",
      "cmpd_inchi": "InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8+",
      "cmpd_inchikey": "QRMPKOFEUHIBNM-OCAPTIKFSA-N",
      "OH_k298": "1.49e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.89e-10",
      "Cl_uncert": "0.1",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1,4-dimethylcyclohexane",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "C[C@@H]1CC[C@H](CC1)C",
      "cmpd_inchi": "InChI=1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3/t7-,8-",
      "cmpd_inchikey": "QRMPKOFEUHIBNM-ZKCHVHJHSA-N",
      "OH_k298": "1.31e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.26e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3,5-trimethylcyclohexane",
      "cmpd_mwt": "126.24",
      "cmpd_formula": "C9H18",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CC1CC(C)CC(C1)C",
      "cmpd_inchi": "InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3",
      "cmpd_inchikey": "ODNRTOSCFYDTKF-UHFFFAOYSA-N",
      "OH_k298": "1.77e-11",
      "OH_uncert": "0.13",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.61e-10",
      "Cl_uncert": "0.16",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,6-dimethylbenzoquinone",
      "cmpd_mwt": "136.15",
      "cmpd_formula": "C8H8O2",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "O=C1C=C(C)C(=O)C(=C1)C",
      "cmpd_inchi": "InChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3",
      "cmpd_inchikey": "SENUUPBBLQWHMF-UHFFFAOYSA-N",
      "OH_k298": "1.93e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "5.11e-12",
      "OH_B": "-399",
      "OH_n": "",
      "OH_t_low": "285",
      "OH_t_high": "313",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,5-dimethylbenzoquinone",
      "cmpd_mwt": "136.15",
      "cmpd_formula": "C8H8O2",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CC1=CC(=O)C(=CC1=O)C",
      "cmpd_inchi": "InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3",
      "cmpd_inchikey": "MYKLQMNSFPAPLZ-UHFFFAOYSA-N",
      "OH_k298": "2.05e-11",
      "OH_uncert": "0.22",
      "OH_u_fac": "",
      "OH_A": "8.59e-12",
      "OH_B": "-228",
      "OH_n": "",
      "OH_t_low": "284",
      "OH_t_high": "313",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-4-hexen-1-ol",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "C/C=C/CCCO",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2+",
      "cmpd_inchikey": "VTIODUHBZHNXFP-NSCUHMNNSA-N",
      "OH_k298": "7.14e-11",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.26e-16",
      "O3_uncert": "0.23",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-3-hepten-1-ol",
      "cmpd_mwt": "114.19",
      "cmpd_formula": "C7H14O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CCC/C=C\\CCO",
      "cmpd_inchi": "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3/b5-4-",
      "cmpd_inchikey": "SDZQUCJFTUULJX-PLNGDYQASA-N",
      "OH_k298": "1.28e-10",
      "OH_uncert": "0.18",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-3-octen-1-ol",
      "cmpd_mwt": "128.21",
      "cmpd_formula": "C8H16O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CCCC/C=C\\CCO",
      "cmpd_inchi": "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5-",
      "cmpd_inchikey": "YDXQPTHHAPCTPP-WAYWQWQTSA-N",
      "OH_k298": "1.49e-10",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methoxy-2-methylbenzene",
      "cmpd_mwt": "122.16",
      "cmpd_formula": "C8H10O",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "COc1ccccc1C",
      "cmpd_inchi": "InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3",
      "cmpd_inchikey": "DTFKRVXLBCAIOZ-UHFFFAOYSA-N",
      "OH_k298": "4.56e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4-pentanedione",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "ketone",
      "cmpd_smiles": "CC(=O)CC(=O)C",
      "cmpd_inchi": "InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3",
      "cmpd_inchikey": "YRKCREAYFQTBPV-UHFFFAOYSA-N",
      "OH_k298": "8.76e-11",
      "OH_uncert": "0.31",
      "OH_u_fac": "",
      "OH_A": "5.2e-12",
      "OH_B": "-824",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "338",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-methylethanolamine",
      "cmpd_mwt": "75.11",
      "cmpd_formula": "C3H9NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "CNCCO",
      "cmpd_inchi": "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3",
      "cmpd_inchikey": "OPKOKAMJFNKNAS-UHFFFAOYSA-N",
      "OH_k298": "8.26e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "8.47e-11",
      "OH_B": "0",
      "OH_n": "-0.79",
      "OH_t_low": "300",
      "OH_t_high": "500",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diacetylene",
      "cmpd_mwt": "50.06",
      "cmpd_formula": "C4H2",
      "cmpd_type": "alkyne",
      "cmpd_smiles": "C#CC#C",
      "cmpd_inchi": "InChI=1S/C4H2/c1-3-4-2/h1-2H",
      "cmpd_inchikey": "LLCSWKVOHICRDD-UHFFFAOYSA-N",
      "OH_k298": "1e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "1e-11",
      "OH_B": "0",
      "OH_n": "",
      "OH_t_low": "290",
      "OH_t_high": "670",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.8e-11",
      "Cl_uncert": "0.19",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "vinyl acetylene",
      "cmpd_mwt": "52.07",
      "cmpd_formula": "C4H4",
      "cmpd_type": "non-aromatic hydrocarbon with varying double bond types",
      "cmpd_smiles": "C=CC#C",
      "cmpd_inchi": "InChI=1S/C4H4/c1-3-4-2/h1,4H,2H2",
      "cmpd_inchikey": "WFYPICNXBKQZGB-UHFFFAOYSA-N",
      "OH_k298": "3.27e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "6.4e-12",
      "OH_B": "-486",
      "OH_n": "",
      "OH_t_low": "295",
      "OH_t_high": "740",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "acetyl fluoride",
      "cmpd_mwt": "62.04",
      "cmpd_formula": "C2H3OF",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "CC(=O)F",
      "cmpd_inchi": "InChI=1S/C2H3FO/c1-2(3)4/h1H3",
      "cmpd_inchikey": "JUCMRTZQCZRJDC-UHFFFAOYSA-N",
      "OH_k298": "7.4e-15",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "fulvenallene",
      "cmpd_mwt": "90.12",
      "cmpd_formula": "C7H6",
      "cmpd_type": "non-aromatic hydrocarbon with varying double bond types",
      "cmpd_smiles": "C=C=C1C=CC=C1",
      "cmpd_inchi": "InChI=1S/C7H6/c1-2-7-5-3-4-6-7/h3-6H,1H2",
      "cmpd_inchikey": "JGLLKZLRFYVZTG-UHFFFAOYSA-N",
      "OH_k298": "8.8e-12",
      "OH_uncert": "0.19",
      "OH_u_fac": "",
      "OH_A": "2.52e-12",
      "OH_B": "-369",
      "OH_n": "-2.46",
      "OH_t_low": "298",
      "OH_t_high": "450",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "lindane",
      "cmpd_mwt": "290.83",
      "cmpd_formula": "C6H6Cl6",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@@H]([C@@H]([C@H]1Cl)Cl)Cl",
      "cmpd_inchi": "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+",
      "cmpd_inchikey": "JLYXXMFPNIAWKQ-GNIYUCBRSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,2,3,3,4,4-heptafluorocyclopentane",
      "cmpd_mwt": "196.07",
      "cmpd_formula": "C5H3F7",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC1CC(C(C1(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H3F7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h2H,1H2",
      "cmpd_inchikey": "IDBYQQQHBYGLEQ-UHFFFAOYSA-N",
      "OH_k298": "1.72e-14",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "9.35e-13",
      "OH_B": "1197",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1,2,3,3,4,4,5,5-octafluorocyclopentane",
      "cmpd_mwt": "214.06",
      "cmpd_formula": "C5H2F8",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "F[C@H]1[C@H](F)C(C(C1(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H2F8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9/h1-2H/t1-,2-/m0/s1",
      "cmpd_inchikey": "QVEJLBREDQLBKB-LWMBPPNESA-N",
      "OH_k298": "1.43e-14",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "8.02e-13",
      "OH_B": "1198",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1,3,3,3-tetrafluoropropene",
      "cmpd_mwt": "114.04",
      "cmpd_formula": "C3H2F4",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "F/C=C\\C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H2F4/c4-2-1-3(5,6)7/h1-2H/b2-1-",
      "cmpd_inchikey": "CDOOAUSHHFGWSA-UPHRSURJSA-N",
      "OH_k298": "1.35e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "7.51e-13",
      "OH_B": "-174.202762293714",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dimethylpropylamine",
      "cmpd_mwt": "87.16",
      "cmpd_formula": "C5H13N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CC(C(C)C)N",
      "cmpd_inchi": "InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3",
      "cmpd_inchikey": "JOZZAIIGWFLONA-UHFFFAOYSA-N",
      "OH_k298": "5.08e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tert-pentylamine",
      "cmpd_mwt": "87.16",
      "cmpd_formula": "C5H13N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CCC(N)(C)C",
      "cmpd_inchi": "InChI=1S/C5H13N/c1-4-5(2,3)6/h4,6H2,1-3H3",
      "cmpd_inchikey": "GELMWIVBBPAMIO-UHFFFAOYSA-N",
      "OH_k298": "8.6e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N,N-dimethylethylamine",
      "cmpd_mwt": "73.14",
      "cmpd_formula": "C4H11N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CCN(C)C",
      "cmpd_inchi": "InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3",
      "cmpd_inchikey": "DAZXVJBJRMWXJP-UHFFFAOYSA-N",
      "OH_k298": "7.37e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N,N-dimethylpropylamine",
      "cmpd_mwt": "87.16",
      "cmpd_formula": "C5H13N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CCCN(C)C",
      "cmpd_inchi": "InChI=1S/C5H13N/c1-4-5-6(2)3/h4-5H2,1-3H3",
      "cmpd_inchikey": "ZUHZZVMEUAUWHY-UHFFFAOYSA-N",
      "OH_k298": "1.1e-10",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N,N-dimethylisopropylamine",
      "cmpd_mwt": "87.16",
      "cmpd_formula": "C5H13N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CN(C(C)C)C",
      "cmpd_inchi": "InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3",
      "cmpd_inchikey": "VMOWKUTXPNPTEN-UHFFFAOYSA-N",
      "OH_k298": "9.79e-11",
      "OH_uncert": "0.18",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N,N-diethylmethylamine",
      "cmpd_mwt": "87.16",
      "cmpd_formula": "C5H13N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CCN(CC)C",
      "cmpd_inchi": "InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3",
      "cmpd_inchikey": "GNVRJGIVDSQCOP-UHFFFAOYSA-N",
      "OH_k298": "8.92e-11",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "triethylamine",
      "cmpd_mwt": "101.19",
      "cmpd_formula": "C6H15N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CCN(CC)CC",
      "cmpd_inchi": "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3",
      "cmpd_inchikey": "ZMANZCXQSJIPKH-UHFFFAOYSA-N",
      "OH_k298": "9.28e-11",
      "OH_uncert": "0.24",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "nicotine",
      "cmpd_mwt": "162.23",
      "cmpd_formula": "C10H14N2",
      "cmpd_type": "amine",
      "cmpd_smiles": "CN1CCCC1c1cccnc1",
      "cmpd_inchi": "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",
      "cmpd_inchikey": "SNICXCGAKADSCV-UHFFFAOYSA-N",
      "OH_k298": "8.38e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3,3,4,4,5,5-heptafluorocyclopentene",
      "cmpd_mwt": "194.05",
      "cmpd_formula": "C5HF7",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC1=CC(C(C1(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5HF7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h1H",
      "cmpd_inchikey": "AWDCOETZVBNIIV-UHFFFAOYSA-N",
      "OH_k298": "4.9e-14",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "4.07e-13",
      "OH_B": "631",
      "OH_n": "",
      "OH_t_low": "242",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "pirimiphos-methyl",
      "cmpd_mwt": "305.33",
      "cmpd_formula": "C11H20N3O3PS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC",
      "cmpd_inchi": "InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3",
      "cmpd_inchikey": "QHOQHJPRIBSPCY-UHFFFAOYSA-N",
      "OH_k298": "1.14e-10",
      "OH_uncert": "0.18",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-nitrobenzaldehyde",
      "cmpd_mwt": "151.12",
      "cmpd_formula": "C7H5NO3",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "O=Cc1ccccc1[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H",
      "cmpd_inchikey": "CMWKITSNTDAEDT-UHFFFAOYSA-N",
      "OH_k298": "4.85e-11",
      "OH_uncert": "0.29",
      "OH_u_fac": "",
      "OH_A": "7e-12",
      "OH_B": "-577",
      "OH_n": "",
      "OH_t_low": "308",
      "OH_t_high": "352",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-bromo-3-chloro-3,4,4-trifluoro-1-butene",
      "cmpd_mwt": "223.42",
      "cmpd_formula": "C4H3F3ClBr",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "C=CC(C(Br)(F)F)(Cl)F",
      "cmpd_inchi": "InChI=1S/C4H3BrClF3/c1-2-3(6,7)4(5,8)9/h2H,1H2",
      "cmpd_inchikey": "VULPFOSLGWWARI-UHFFFAOYSA-N",
      "OH_k298": "2.62e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "6.45e-13",
      "OH_B": "-424",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "campholenic aldehyde",
      "cmpd_mwt": "152.23",
      "cmpd_formula": "C10H16O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "O=CCC1CC=C(C1(C)C)C",
      "cmpd_inchi": "InChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3",
      "cmpd_inchikey": "OGCGGWYLHSJRFY-UHFFFAOYSA-N",
      "OH_k298": "6.54e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-hexyl nitrate",
      "cmpd_mwt": "147.17",
      "cmpd_formula": "C6H13NO3",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCCCCCO[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C6H13NO3/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3",
      "cmpd_inchikey": "AGDYNDJUZRMYRG-UHFFFAOYSA-N",
      "OH_k298": "3.89e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.27e-13",
      "OH_B": "-853",
      "OH_n": "2.83",
      "OH_t_low": "306",
      "OH_t_high": "538",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "octamethyltrisiloxane",
      "cmpd_mwt": "236.53",
      "cmpd_formula": "C8H24O2Si3",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C",
      "cmpd_inchi": "InChI=1S/C8H24O2Si3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h1-8H3",
      "cmpd_inchikey": "CXQXSVUQTKDNFP-UHFFFAOYSA-N",
      "OH_k298": "1.82e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.99e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hexamethylcyclotrisiloxane",
      "cmpd_mwt": "222.46",
      "cmpd_formula": "C6H18O3Si3",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si]1(C)O[Si](C)(C)O[Si](O1)(C)C",
      "cmpd_inchi": "InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3",
      "cmpd_inchikey": "HTDJPCNNEPUOOQ-UHFFFAOYSA-N",
      "OH_k298": "7.38e-13",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "1.1e-11",
      "OH_B": "805.000000000113",
      "OH_n": "",
      "OH_t_low": "260",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.6e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "octamethylcyclotetrasiloxane",
      "cmpd_mwt": "296.62",
      "cmpd_formula": "C8H24O4Si4",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si]1(C)O[Si](C)(C)O[Si](O[Si](O1)(C)C)(C)C",
      "cmpd_inchi": "InChI=1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3",
      "cmpd_inchikey": "HMMGMWAXVFQUOA-UHFFFAOYSA-N",
      "OH_k298": "1.09e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.68e-11",
      "OH_B": "816.000000000264",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "370",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.24e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5,5-hexafluorocyclopentene",
      "cmpd_mwt": "176.06",
      "cmpd_formula": "C5H2F6",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC1(F)C(F)(F)C=CC1(F)F",
      "cmpd_inchi": "InChI=1S/C5H2F6/c6-3(7)1-2-4(8,9)5(3,10)11/h1-2H",
      "cmpd_inchikey": "FHQKLIHFKVAEEP-UHFFFAOYSA-N",
      "OH_k298": "1.08e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "3.72e-13",
      "OH_B": "370",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1,1,1,4,4,5,5,5-octafluoro-2-pentene",
      "cmpd_mwt": "214.06",
      "cmpd_formula": "C5H2F8",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC(/C=C/C(C(F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H2F8/c6-3(7,5(11,12)13)1-2-4(8,9)10/h1-2H/b2-1+",
      "cmpd_inchikey": "CVMVAHSMKGITAV-OWOJBTEDSA-N",
      "OH_k298": "9.1e-14",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "7.56e-13",
      "OH_B": "632",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-dimethyl-1-pentene",
      "cmpd_mwt": "98.19",
      "cmpd_formula": "C7H14",
      "cmpd_type": "terminal monoalkene",
      "cmpd_smiles": "CCC(C(=C)C)C",
      "cmpd_inchi": "InChI=1S/C7H14/c1-5-7(4)6(2)3/h7H,2,5H2,1,3-4H3",
      "cmpd_inchikey": "LIMAEKMEXJTSNI-UHFFFAOYSA-N",
      "OH_k298": "5.7e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.12e-18",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethylcyclohexane",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CCC1CCCCC1",
      "cmpd_inchi": "InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3",
      "cmpd_inchikey": "IIEWJVIFRVWJOD-UHFFFAOYSA-N",
      "OH_k298": "1.34e-11",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.88e-10",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylheptane",
      "cmpd_mwt": "114.23",
      "cmpd_formula": "C8H18",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCCCCC(C)C",
      "cmpd_inchi": "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3",
      "cmpd_inchikey": "JVSWJIKNEAIKJW-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "perfluoro ethyl vinyl ether",
      "cmpd_mwt": "216.03",
      "cmpd_formula": "C4OF8",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(=C(OC(C(F)(F)F)(F)F)F)F",
      "cmpd_inchi": "InChI=1S/C4F8O/c5-1(6)2(7)13-4(11,12)3(8,9)10",
      "cmpd_inchikey": "GWTYBAOENKSFAY-UHFFFAOYSA-N",
      "OH_k298": "3e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "6e-13",
      "OH_B": "-480",
      "OH_n": "",
      "OH_t_low": "207",
      "OH_t_high": "300",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1-chloro-2,3,3,3-tetrafluoro-1-propene",
      "cmpd_mwt": "148.49",
      "cmpd_formula": "C3HF4Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "Cl/C=C(\\C(F)(F)F)/F",
      "cmpd_inchi": "InChI=1S/C3HClF4/c4-1-2(5)3(6,7)8/h1H/b2-1+",
      "cmpd_inchikey": "GDPWRLVSJWKGPJ-OWOJBTEDSA-N",
      "OH_k298": "1.3e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.09e-12",
      "OH_B": "-50",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1-chloro-2,3,3,3-tetrafluoro-1-propene",
      "cmpd_mwt": "148.49",
      "cmpd_formula": "C3HF4Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "Cl/C=C(/C(F)(F)F)\\F",
      "cmpd_inchi": "InChI=1S/C3HClF4/c4-1-2(5)3(6,7)8/h1H/b2-1-",
      "cmpd_inchikey": "GDPWRLVSJWKGPJ-UPHRSURJSA-N",
      "OH_k298": "5.84e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "8.02e-13",
      "OH_B": "100",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1-chloro-2,3,3-trifluoro-1-propene",
      "cmpd_mwt": "130.5",
      "cmpd_formula": "C3H2F3Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "Cl/C=C(\\C(F)F)/F",
      "cmpd_inchi": "InChI=1S/C3H2ClF3/c4-1-2(5)3(6)7/h1,3H/b2-1+",
      "cmpd_inchikey": "USCSECLOSDIOTA-OWOJBTEDSA-N",
      "OH_k298": "2.54e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.5e-12",
      "OH_B": "-160",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-1-chloro-2,3,3-trifluoro-1-propene",
      "cmpd_mwt": "130.5",
      "cmpd_formula": "C3H2F3Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "Cl/C=C(/C(F)F)\\F",
      "cmpd_inchi": "InChI=1S/C3H2ClF3/c4-1-2(5)3(6)7/h1,3H/b2-1-",
      "cmpd_inchikey": "USCSECLOSDIOTA-UPHRSURJSA-N",
      "OH_k298": "4.48e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.36e-12",
      "OH_B": "-360",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1-dichloro-2,3,3,3-tetrafluoro-1-propene",
      "cmpd_mwt": "182.93",
      "cmpd_formula": "C3F4Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC(=C(Cl)Cl)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3Cl2F4/c4-2(5)1(6)3(7,8)9",
      "cmpd_inchikey": "QGYLHZMNVGBXDQ-UHFFFAOYSA-N",
      "OH_k298": "1.27e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "6.5e-13",
      "OH_B": "-200",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,3,3,3-pentafluoro-1-propene",
      "cmpd_mwt": "132.03",
      "cmpd_formula": "C3HF5",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "FC(=CC(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C3HF5/c4-2(5)1-3(6,7)8/h1H",
      "cmpd_inchikey": "QAERDLQYXMEHEB-UHFFFAOYSA-N",
      "OH_k298": "7.14e-13",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "4.85e-13",
      "OH_B": "-120",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methylhexane",
      "cmpd_mwt": "100.2",
      "cmpd_formula": "C7H16",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCCC(CC)C",
      "cmpd_inchi": "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3",
      "cmpd_inchikey": "VLJXXKKOSFGPHI-UHFFFAOYSA-N",
      "OH_k298": "6.3e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "6.13e-12",
      "OH_B": "-26",
      "OH_n": "0.74",
      "OH_t_low": "230",
      "OH_t_high": "385",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylcycloheptane",
      "cmpd_mwt": "112.21",
      "cmpd_formula": "C8H16",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CC1CCCCCC1",
      "cmpd_inchi": "InChI=1S/C8H16/c1-8-6-4-2-3-5-7-8/h8H,2-7H2,1H3",
      "cmpd_inchikey": "GYNNXHKOJHMOHS-UHFFFAOYSA-N",
      "OH_k298": "1.51e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.62e-11",
      "OH_B": "176",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "350",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propylcyclohexane",
      "cmpd_mwt": "126.24",
      "cmpd_formula": "C9H18",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CCCC1CCCCC1",
      "cmpd_inchi": "InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3",
      "cmpd_inchikey": "DEDZSLCZHWTGOR-UHFFFAOYSA-N",
      "OH_k298": "1.33e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "2.25e-11",
      "OH_B": "159",
      "OH_n": "",
      "OH_t_low": "230",
      "OH_t_high": "379",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropylcyclohexane",
      "cmpd_mwt": "126.24",
      "cmpd_formula": "C9H18",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CC(C1CCCCC1)C",
      "cmpd_inchi": "InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3",
      "cmpd_inchikey": "GWESVXSMPKAFAS-UHFFFAOYSA-N",
      "OH_k298": "1.44e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.51e-11",
      "OH_B": "20",
      "OH_n": "",
      "OH_t_low": "260",
      "OH_t_high": "379",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propanamide",
      "cmpd_mwt": "73.09",
      "cmpd_formula": "C3H7NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCC(=O)N",
      "cmpd_inchi": "InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)",
      "cmpd_inchikey": "QLNJFJADRCOGBJ-UHFFFAOYSA-N",
      "OH_k298": "1.78e-12",
      "OH_uncert": "0.24",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methylheptane",
      "cmpd_mwt": "114.23",
      "cmpd_formula": "C8H18",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCCCC(CC)C",
      "cmpd_inchi": "InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3",
      "cmpd_inchikey": "LAIUFBWHERIJIH-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "pyrene",
      "cmpd_mwt": "202.25",
      "cmpd_formula": "C16H10",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "c1cc2ccc3c4c2c(c1)ccc4ccc3",
      "cmpd_inchi": "InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H",
      "cmpd_inchikey": "BBEAQIROQSPTKN-UHFFFAOYSA-N",
      "OH_k298": "5e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-ethylnaphthalene",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C12H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "CCc1cccc2c1cccc2",
      "cmpd_inchi": "InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3",
      "cmpd_inchikey": "ZMXIYERNXPIYFR-UHFFFAOYSA-N",
      "OH_k298": "3.5e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.12e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethylnaphthalene",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C12H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "CCc1ccc2c(c1)cccc2",
      "cmpd_inchi": "InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3",
      "cmpd_inchikey": "RJTJVVYSTUQWNI-UHFFFAOYSA-N",
      "OH_k298": "3.86e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.38e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-dimethylnaphthalene",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C12H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1ccc2c(c1C)cccc2",
      "cmpd_inchi": "InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3",
      "cmpd_inchikey": "QNLZIZAQLLYXTC-UHFFFAOYSA-N",
      "OH_k298": "5.73e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.61e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3-dimethylnaphthalene",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C12H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1cc2ccccc2c(c1)C",
      "cmpd_inchi": "InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3",
      "cmpd_inchikey": "QHJMFSMPSZREIF-UHFFFAOYSA-N",
      "OH_k298": "7.2e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.9e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-dimethylnaphthalene",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C12H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1ccc(c2c1cccc2)C",
      "cmpd_inchi": "InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3",
      "cmpd_inchikey": "APQSQLNWAIULLK-UHFFFAOYSA-N",
      "OH_k298": "5.57e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.93e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,5-dimethylnaphthalene",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C12H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1cccc2c1cccc2C",
      "cmpd_inchi": "InChI=1S/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3",
      "cmpd_inchikey": "SDDBCEWUYXVGCQ-UHFFFAOYSA-N",
      "OH_k298": "5.77e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.31e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,6-dimethylnaphthalene",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C12H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1ccc2c(c1)cccc2C",
      "cmpd_inchi": "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3",
      "cmpd_inchikey": "CBMXCNPQDUJNHT-UHFFFAOYSA-N",
      "OH_k298": "6.1e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.15e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,7-dimethylnaphthalene",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C12H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1ccc2c(c1)c(C)ccc2",
      "cmpd_inchi": "InChI=1S/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3",
      "cmpd_inchikey": "SPUWFVKLHHEKGV-UHFFFAOYSA-N",
      "OH_k298": "6.53e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.05e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,8-dimethylnaphthalene",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C12H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1cccc2c1c(C)ccc2",
      "cmpd_inchi": "InChI=1S/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H3",
      "cmpd_inchikey": "XAABPYINPXYOLM-UHFFFAOYSA-N",
      "OH_k298": "6.03e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.07e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,6-dimethylnaphthalene",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C12H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1ccc2c(c1)ccc(c2)C",
      "cmpd_inchi": "InChI=1S/C12H12/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h3-8H,1-2H3",
      "cmpd_inchikey": "YGYNBBAUIYTWBF-UHFFFAOYSA-N",
      "OH_k298": "6.39e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.34e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,7-dimethylnaphthalene",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C12H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1ccc2c(c1)cc(cc2)C",
      "cmpd_inchi": "InChI=1S/C12H12/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h3-8H,1-2H3",
      "cmpd_inchikey": "LRQYSMQNJLZKPS-UHFFFAOYSA-N",
      "OH_k298": "6.6e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,8-dichlorodibenzofuran",
      "cmpd_mwt": "237.08",
      "cmpd_formula": "C12H6OCl2",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Clc1ccc2c(c1)c1cc(Cl)ccc1o2",
      "cmpd_inchi": "InChI=1S/C12H6Cl2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H",
      "cmpd_inchikey": "IVVRJIDVYSPKFZ-UHFFFAOYSA-N",
      "OH_k298": "2.19e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.1e-11",
      "OH_B": "674",
      "OH_n": "",
      "OH_t_low": "355",
      "OH_t_high": "405",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-methylphenanthrene",
      "cmpd_mwt": "192.26",
      "cmpd_formula": "C15H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1cccc2c1ccc1c2cccc1",
      "cmpd_inchi": "InChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3",
      "cmpd_inchikey": "DOWJXOHBNXRUOD-UHFFFAOYSA-N",
      "OH_k298": "2.89e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.46e-13",
      "OH_B": "-1420",
      "OH_n": "",
      "OH_t_low": "363",
      "OH_t_high": "403",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylphenanthrene",
      "cmpd_mwt": "192.26",
      "cmpd_formula": "C15H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1ccc2c(c1)ccc1c2cccc1",
      "cmpd_inchi": "InChI=1S/C15H12/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h2-10H,1H3",
      "cmpd_inchikey": "KANLOADZXMMCQA-UHFFFAOYSA-N",
      "OH_k298": "6.45e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.54e-12",
      "OH_B": "-964",
      "OH_n": "",
      "OH_t_low": "338",
      "OH_t_high": "398",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methylphenanthrene",
      "cmpd_mwt": "192.26",
      "cmpd_formula": "C15H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1ccc2c(c1)c1ccccc1cc2",
      "cmpd_inchi": "InChI=1S/C15H12/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h2-10H,1H3",
      "cmpd_inchikey": "GKYWZUBZZBHZKU-UHFFFAOYSA-N",
      "OH_k298": "6.64e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.97e-12",
      "OH_B": "-926",
      "OH_n": "",
      "OH_t_low": "353",
      "OH_t_high": "388",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "9-methylphenanthrene",
      "cmpd_mwt": "192.26",
      "cmpd_formula": "C15H12",
      "cmpd_type": "polycyclic aromatic hydrocarbon",
      "cmpd_smiles": "Cc1cc2ccccc2c2c1cccc2",
      "cmpd_inchi": "InChI=1S/C15H12/c1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15/h2-10H,1H3",
      "cmpd_inchikey": "DALBHIYZSZZWBS-UHFFFAOYSA-N",
      "OH_k298": "7.57e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "7.75e-12",
      "OH_B": "-679",
      "OH_n": "",
      "OH_t_low": "333",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-naphthol",
      "cmpd_mwt": "144.17",
      "cmpd_formula": "C10H8O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Oc1cccc2c1cccc2",
      "cmpd_inchi": "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H",
      "cmpd_inchikey": "KJCVRFUGPWSIIH-UHFFFAOYSA-N",
      "OH_k298": "5.75e-10",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-naphthol",
      "cmpd_mwt": "144.17",
      "cmpd_formula": "C10H8O",
      "cmpd_type": "phenol",
      "cmpd_smiles": "Oc1ccc2c(c1)cccc2",
      "cmpd_inchi": "InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H",
      "cmpd_inchikey": "JWAZRIHNYRIHIV-UHFFFAOYSA-N",
      "OH_k298": "1.77e-10",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanal",
      "cmpd_mwt": "362.09",
      "cmpd_formula": "C8H3OF13",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C8H3F13O/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2",
      "cmpd_inchikey": "WJSFZGPTEQNWCB-UHFFFAOYSA-N",
      "OH_k298": "2e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.84e-11",
      "Cl_uncert": "0.12",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethylsilanediol",
      "cmpd_mwt": "92.17",
      "cmpd_formula": "C2H8O2Si",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si](O)(O)C",
      "cmpd_inchi": "InChI=1S/C2H8O2Si/c1-5(2,3)4/h3-4H,1-2H3",
      "cmpd_inchikey": "XCLIHDJZGPCUBT-UHFFFAOYSA-N",
      "OH_k298": "8.1e-13",
      "OH_uncert": "0.12",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trimethylsilanol",
      "cmpd_mwt": "90.2",
      "cmpd_formula": "C3H10OSi",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si](O)(C)C",
      "cmpd_inchi": "InChI=1S/C3H10OSi/c1-5(2,3)4/h4H,1-3H3",
      "cmpd_inchikey": "AAPLIUHOKVUFCC-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "indole",
      "cmpd_mwt": "117.15",
      "cmpd_formula": "C8H7N",
      "cmpd_type": "amine",
      "cmpd_smiles": "c1ccc2c(c1)[nH]cc2",
      "cmpd_inchi": "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H",
      "cmpd_inchikey": "SIKJAQJRHWYJAI-UHFFFAOYSA-N",
      "OH_k298": "1.54e-10",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "4.9e-17",
      "O3_uncert": "0.37",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.3e-10",
      "NO3_uncert": "0.38",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "quinoline",
      "cmpd_mwt": "129.16",
      "cmpd_formula": "C9H7N",
      "cmpd_type": "amine",
      "cmpd_smiles": "c1ccc2c(c1)nccc2",
      "cmpd_inchi": "InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H",
      "cmpd_inchikey": "SMWDFEZZVXVKRB-UHFFFAOYSA-N",
      "OH_k298": "1.16e-11",
      "OH_uncert": "0.47",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isoquinoline",
      "cmpd_mwt": "129.16",
      "cmpd_formula": "C9H7N",
      "cmpd_type": "amine",
      "cmpd_smiles": "c1ccc2c(c1)cncc2",
      "cmpd_inchi": "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H",
      "cmpd_inchikey": "AWJUIBRHMBBTKR-UHFFFAOYSA-N",
      "OH_k298": "8.5e-12",
      "OH_uncert": "0.42",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-chlorobiphenyl",
      "cmpd_mwt": "188.65",
      "cmpd_formula": "C12H9Cl",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccccc1c1ccccc1",
      "cmpd_inchi": "InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H",
      "cmpd_inchikey": "LAXBNTIAOJWAOP-UHFFFAOYSA-N",
      "OH_k298": "2.67e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "7.3e-12",
      "OH_B": "300",
      "OH_n": "",
      "OH_t_low": "343",
      "OH_t_high": "363",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-chlorobiphenyl",
      "cmpd_mwt": "188.65",
      "cmpd_formula": "C12H9Cl",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1cccc(c1)c1ccccc1",
      "cmpd_inchi": "InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H",
      "cmpd_inchikey": "NMWSKOLWZZWHPL-UHFFFAOYSA-N",
      "OH_k298": "4.96e-12",
      "OH_uncert": "0.14",
      "OH_u_fac": "",
      "OH_A": "9.7e-12",
      "OH_B": "200",
      "OH_n": "",
      "OH_t_low": "343",
      "OH_t_high": "363",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-chlorobiphenyl",
      "cmpd_mwt": "188.65",
      "cmpd_formula": "C12H9Cl",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccc(cc1)c1ccccc1",
      "cmpd_inchi": "InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H",
      "cmpd_inchikey": "FPWNLURCHDRMHC-UHFFFAOYSA-N",
      "OH_k298": "3.38e-12",
      "OH_uncert": "0.18",
      "OH_u_fac": "",
      "OH_A": "2.8e-11",
      "OH_B": "630",
      "OH_n": "",
      "OH_t_low": "327",
      "OH_t_high": "364",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2'-dichlorobiphenyl",
      "cmpd_mwt": "223.1",
      "cmpd_formula": "C12H8Cl2",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccccc1c1ccccc1Cl",
      "cmpd_inchi": "InChI=1S/C12H8Cl2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H",
      "cmpd_inchikey": "JAYCNKDKIKZTAF-UHFFFAOYSA-N",
      "OH_k298": "2.08e-12",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "5.58e-11",
      "OH_B": "980",
      "OH_n": "",
      "OH_t_low": "343",
      "OH_t_high": "364",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4-dichlorobiphenyl",
      "cmpd_mwt": "223.1",
      "cmpd_formula": "C12H8Cl2",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccc(c(c1)Cl)c1ccccc1",
      "cmpd_inchi": "InChI=1S/C12H8Cl2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H",
      "cmpd_inchikey": "WEJZHZJJXPXXMU-UHFFFAOYSA-N",
      "OH_k298": "2.62e-12",
      "OH_uncert": "0.27",
      "OH_u_fac": "",
      "OH_A": "1.5e-11",
      "OH_B": "520",
      "OH_n": "",
      "OH_t_low": "343",
      "OH_t_high": "363",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4,4'-dichlorobiphenyl",
      "cmpd_mwt": "223.1",
      "cmpd_formula": "C12H8Cl2",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccc(cc1)c1ccc(cc1)Cl",
      "cmpd_inchi": "InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H",
      "cmpd_inchikey": "YTBRNEUEFCNVHC-UHFFFAOYSA-N",
      "OH_k298": "1.99e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.3e-11",
      "OH_B": "560",
      "OH_n": "",
      "OH_t_low": "329",
      "OH_t_high": "366",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4,4'-trichlorobiphenyl",
      "cmpd_mwt": "257.54",
      "cmpd_formula": "C12H7Cl3",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccc(cc1)c1ccc(cc1Cl)Cl",
      "cmpd_inchi": "InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H",
      "cmpd_inchikey": "BZTYNSQSZHARAZ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.7e-10",
      "OH_B": "1650",
      "OH_n": "",
      "OH_t_low": "343",
      "OH_t_high": "363",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4,5-trichlorobiphenyl",
      "cmpd_mwt": "257.54",
      "cmpd_formula": "C12H7Cl3",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1cc(Cl)c(cc1c1ccccc1)Cl",
      "cmpd_inchi": "InChI=1S/C12H7Cl3/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h1-7H",
      "cmpd_inchikey": "VGVIKVCCUATMNG-UHFFFAOYSA-N",
      "OH_k298": "1.37e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.3e-11",
      "OH_B": "670",
      "OH_n": "",
      "OH_t_low": "343",
      "OH_t_high": "364",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4',5-trichlorobiphenyl",
      "cmpd_mwt": "257.54",
      "cmpd_formula": "C12H7Cl3",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccc(cc1)c1cc(Cl)ccc1Cl",
      "cmpd_inchi": "InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H",
      "cmpd_inchikey": "VAHKBZSAUKPEOV-UHFFFAOYSA-N",
      "OH_k298": "1.21e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.4e-11",
      "OH_B": "730",
      "OH_n": "",
      "OH_t_low": "343",
      "OH_t_high": "363",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3',4'-trichlorobiphenyl",
      "cmpd_mwt": "257.54",
      "cmpd_formula": "C12H7Cl3",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1cc(ccc1Cl)c1ccccc1Cl",
      "cmpd_inchi": "InChI=1S/C12H7Cl3/c13-10-4-2-1-3-9(10)8-5-6-11(14)12(15)7-8/h1-7H",
      "cmpd_inchikey": "RIMXLXBUOQMDHV-UHFFFAOYSA-N",
      "OH_k298": "1.03e-12",
      "OH_uncert": "0.39",
      "OH_u_fac": "",
      "OH_A": "1.9e-11",
      "OH_B": "870",
      "OH_n": "",
      "OH_t_low": "343",
      "OH_t_high": "363",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2',3,5'-tetrachlorobiphenyl",
      "cmpd_mwt": "291.99",
      "cmpd_formula": "C12H6Cl4",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccc(c(c1)c1cccc(c1Cl)Cl)Cl",
      "cmpd_inchi": "InChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H",
      "cmpd_inchikey": "ALDJIKXAHSDLLB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.9e-10",
      "OH_B": "1740",
      "OH_n": "",
      "OH_t_low": "343",
      "OH_t_high": "363",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2',4,4'-tetrachlorobiphenyl",
      "cmpd_mwt": "291.99",
      "cmpd_formula": "C12H6Cl4",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccc(c(c1)Cl)c1ccc(cc1Cl)Cl",
      "cmpd_inchi": "InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H",
      "cmpd_inchikey": "QORAVNMWUNPXAO-UHFFFAOYSA-N",
      "OH_k298": "1.03e-12",
      "OH_uncert": "0.49",
      "OH_u_fac": "",
      "OH_A": "1.9e-11",
      "OH_B": "870",
      "OH_n": "",
      "OH_t_low": "363",
      "OH_t_high": "364",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2',3,5',6-pentachlorobiphenyl",
      "cmpd_mwt": "326.43",
      "cmpd_formula": "C12H5Cl5",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccc(c(c1)c1c(Cl)ccc(c1Cl)Cl)Cl",
      "cmpd_inchi": "InChI=1S/C12H5Cl5/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16)12(11)17/h1-5H",
      "cmpd_inchikey": "GXNNLIMMEXHBKV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.5e-10",
      "OH_B": "1950",
      "OH_n": "",
      "OH_t_low": "363",
      "OH_t_high": "363",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3,3',4',6-pentachlorobiphenyl",
      "cmpd_mwt": "326.43",
      "cmpd_formula": "C12H5Cl5",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1cc(ccc1Cl)c1c(Cl)ccc(c1Cl)Cl",
      "cmpd_inchi": "InChI=1S/C12H5Cl5/c13-7-2-1-6(5-10(7)16)11-8(14)3-4-9(15)12(11)17/h1-5H",
      "cmpd_inchikey": "ARXHIJMGSIYYRZ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.8e-11",
      "OH_B": "1130",
      "OH_n": "",
      "OH_t_low": "363",
      "OH_t_high": "364",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3,4,5,6-pentachlorobiphenyl",
      "cmpd_mwt": "326.43",
      "cmpd_formula": "C12H5Cl5",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1c(c2ccccc2)c(Cl)c(c(c1Cl)Cl)Cl",
      "cmpd_inchi": "InChI=1S/C12H5Cl5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h1-5H",
      "cmpd_inchikey": "GGMPTLAAIUQMIE-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "1.1e-10",
      "OH_B": "1440",
      "OH_n": "",
      "OH_t_low": "363",
      "OH_t_high": "363",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3'-dichlorobiphenyl",
      "cmpd_mwt": "223.1",
      "cmpd_formula": "C12H8Cl2",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1cccc(c1)c1cccc(c1)Cl",
      "cmpd_inchi": "InChI=1S/C12H8Cl2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H",
      "cmpd_inchikey": "KTXUOWUHFLBZPW-UHFFFAOYSA-N",
      "OH_k298": "4.1e-12",
      "OH_uncert": "0.29",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,5-dichlorobiphenyl",
      "cmpd_mwt": "223.1",
      "cmpd_formula": "C12H8Cl2",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1cc(Cl)cc(c1)c1ccccc1",
      "cmpd_inchi": "InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H",
      "cmpd_inchikey": "QHZSDTDMQZPUKC-UHFFFAOYSA-N",
      "OH_k298": "4.2e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethanethiol",
      "cmpd_mwt": "62.13",
      "cmpd_formula": "C2H6S",
      "cmpd_type": "mercaptan",
      "cmpd_smiles": "CCS",
      "cmpd_inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3",
      "cmpd_inchikey": "DNJIEGIFACGWOD-UHFFFAOYSA-N",
      "OH_k298": "4.5e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.21e-12",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.75e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propanethiol",
      "cmpd_mwt": "76.16",
      "cmpd_formula": "C3H8S",
      "cmpd_type": "mercaptan",
      "cmpd_smiles": "CCCS",
      "cmpd_inchi": "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3",
      "cmpd_inchikey": "SUVIGLJNEAMWEG-UHFFFAOYSA-N",
      "OH_k298": "5.3e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.14e-10",
      "Cl_uncert": "0.24",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-propanethiol",
      "cmpd_mwt": "76.16",
      "cmpd_formula": "C3H8S",
      "cmpd_type": "mercaptan",
      "cmpd_smiles": "CC(S)C",
      "cmpd_inchi": "InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3",
      "cmpd_inchikey": "KJRCEJOSASVSRA-UHFFFAOYSA-N",
      "OH_k298": "3.9e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.7e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "4.1e-10",
      "Cl_B": "125",
      "Cl_n": "",
      "Cl_t_low": "260",
      "Cl_t_high": "333"
    },
    {
      "cmpd_name": "1-butanethiol",
      "cmpd_mwt": "90.19",
      "cmpd_formula": "C4H10S",
      "cmpd_type": "mercaptan",
      "cmpd_smiles": "CCCCS",
      "cmpd_inchi": "InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3",
      "cmpd_inchikey": "WQAQPCDUOCURKW-UHFFFAOYSA-N",
      "OH_k298": "5.6e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-propanethiol",
      "cmpd_mwt": "90.19",
      "cmpd_formula": "C4H10S",
      "cmpd_type": "mercaptan",
      "cmpd_smiles": "SCC(C)C",
      "cmpd_inchi": "InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3",
      "cmpd_inchikey": "BDFAOUQQXJIZDG-UHFFFAOYSA-N",
      "OH_k298": "4.6e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-butanethiol",
      "cmpd_mwt": "90.19",
      "cmpd_formula": "C4H10S",
      "cmpd_type": "mercaptan",
      "cmpd_smiles": "CCC(S)C",
      "cmpd_inchi": "InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3",
      "cmpd_inchikey": "LOCHFZBWPCLPAN-UHFFFAOYSA-N",
      "OH_k298": "3.8e-11",
      "OH_uncert": "0.16",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.65e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "1.01e-10",
      "Cl_B": "-146",
      "Cl_n": "",
      "Cl_t_low": "268",
      "Cl_t_high": "379"
    },
    {
      "cmpd_name": "t-butylsulfide",
      "cmpd_mwt": "90.19",
      "cmpd_formula": "C4H10S",
      "cmpd_type": "mercaptan",
      "cmpd_smiles": "CC(S)(C)C",
      "cmpd_inchi": "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3",
      "cmpd_inchikey": "WMXCDAVJEZZYLT-UHFFFAOYSA-N",
      "OH_k298": "2.9e-11",
      "OH_uncert": "0.14",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylbutanethiol",
      "cmpd_mwt": "104.21",
      "cmpd_formula": "C5H12S",
      "cmpd_type": "mercaptan",
      "cmpd_smiles": "CCC(CS)C",
      "cmpd_inchi": "InChI=1S/C5H12S/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "WGQKBCSACFQGQY-UHFFFAOYSA-N",
      "OH_k298": "5.2e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "thiophenol",
      "cmpd_mwt": "110.18",
      "cmpd_formula": "C6H6S",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "Sc1ccccc1",
      "cmpd_inchi": "InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H",
      "cmpd_inchikey": "RMVRSNDYEFQCLF-UHFFFAOYSA-N",
      "OH_k298": "1.1e-11",
      "OH_uncert": "0.18",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "formaldehyde oxime",
      "cmpd_mwt": "45.04",
      "cmpd_formula": "CH3NO",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "ON=C",
      "cmpd_inchi": "InChI=1S/CH3NO/c1-2-3/h3H,1H2",
      "cmpd_inchikey": "SQDFHQJTAWCFIB-UHFFFAOYSA-N",
      "OH_k298": "1.5e-12",
      "OH_uncert": "0.27",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,2-trifluoroethyl amine",
      "cmpd_mwt": "99.06",
      "cmpd_formula": "C2H4NF3",
      "cmpd_type": "amine",
      "cmpd_smiles": "NCC(F)(F)F",
      "cmpd_inchi": "InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2",
      "cmpd_inchikey": "KIPSRYDSZQRPEA-UHFFFAOYSA-N",
      "OH_k298": "9.3e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "6.71e-13",
      "OH_B": "-103",
      "OH_n": "1.52",
      "OH_t_low": "296",
      "OH_t_high": "401",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-diazabicyclo[2.2.2]octane",
      "cmpd_mwt": "112.17",
      "cmpd_formula": "C6H12N2",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "C1CN2CCN1CC2",
      "cmpd_inchi": "InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2",
      "cmpd_inchikey": "IMNIMPAHZVJRPE-UHFFFAOYSA-N",
      "OH_k298": "2.2e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "phthalide",
      "cmpd_mwt": "134.13",
      "cmpd_formula": "C8H6O2",
      "cmpd_type": "aromatic ester",
      "cmpd_smiles": "O=C1OCc2c1cccc2",
      "cmpd_inchi": "InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2",
      "cmpd_inchikey": "WNZQDUSMALZDQF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dibenzothiophene",
      "cmpd_mwt": "184.26",
      "cmpd_formula": "C12H8S",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "c1ccc2c(c1)sc1c2cccc1",
      "cmpd_inchi": "InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H",
      "cmpd_inchikey": "IYYZUPMFVPLQIF-UHFFFAOYSA-N",
      "OH_k298": "8.1e-12",
      "OH_uncert": "0.32",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propanenitrile",
      "cmpd_mwt": "55.08",
      "cmpd_formula": "C3H5N",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "CCC#N",
      "cmpd_inchi": "InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3",
      "cmpd_inchikey": "FVSKHRXBFJPNKK-UHFFFAOYSA-N",
      "OH_k298": "1.94e-13",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "2.69e-12",
      "OH_B": "800",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "423",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.72e-13",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "O-methyl-N-methylcarbamate",
      "cmpd_mwt": "89.09",
      "cmpd_formula": "C3H7NO2",
      "cmpd_type": "amine",
      "cmpd_smiles": "CNC(=O)OC",
      "cmpd_inchi": "InChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)",
      "cmpd_inchikey": "NYXHSRNBKJIQQG-UHFFFAOYSA-N",
      "OH_k298": "4.3e-12",
      "OH_uncert": "0.28",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "8.5e-16",
      "NO3_uncert": "0.38",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "O-ethyl-N-methylcarbamate",
      "cmpd_mwt": "103.12",
      "cmpd_formula": "C4H9NO2",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCOC(=O)NC",
      "cmpd_inchi": "InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)",
      "cmpd_inchikey": "SURZCVYFPAXNGN-UHFFFAOYSA-N",
      "OH_k298": "8.3e-12",
      "OH_uncert": "0.27",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.4e-16",
      "NO3_uncert": "0.37",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "O-methyl-N-ethylcarbamate",
      "cmpd_mwt": "103.12",
      "cmpd_formula": "C4H9NO2",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCNC(=O)OC",
      "cmpd_inchi": "InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)",
      "cmpd_inchikey": "AEARPZNULDFPNQ-UHFFFAOYSA-N",
      "OH_k298": "1.05e-11",
      "OH_uncert": "0.28",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.8e-15",
      "NO3_uncert": "0.44",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "O-ethyl-N-ethylcarbamate",
      "cmpd_mwt": "117.15",
      "cmpd_formula": "C5H11NO2",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCNC(=O)OCC",
      "cmpd_inchi": "InChI=1S/C5H11NO2/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)",
      "cmpd_inchikey": "GZXSDYYWLZERLF-UHFFFAOYSA-N",
      "OH_k298": "1.44e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.6e-15",
      "NO3_uncert": "0.5",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl(methyl)amine",
      "cmpd_mwt": "59.11",
      "cmpd_formula": "C3H9N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CNCC",
      "cmpd_inchi": "InChI=1S/C3H9N/c1-3-4-2/h4H,3H2,1-2H3",
      "cmpd_inchikey": "LIWAQLJGPBVORC-UHFFFAOYSA-N",
      "OH_k298": "7.3e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl(propyl)amine",
      "cmpd_mwt": "73.14",
      "cmpd_formula": "C4H11N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "CCCNC",
      "cmpd_inchi": "InChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3",
      "cmpd_inchikey": "GVWISOJSERXQBM-UHFFFAOYSA-N",
      "OH_k298": "8.3e-11",
      "OH_uncert": "0.11",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "piperidine",
      "cmpd_mwt": "85.15",
      "cmpd_formula": "C5H11N",
      "cmpd_type": "alkyl amine",
      "cmpd_smiles": "C1CCCNC1",
      "cmpd_inchi": "InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2",
      "cmpd_inchikey": "NQRYJNQNLNOLGT-UHFFFAOYSA-N",
      "OH_k298": "7.4e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-ethylnitramine",
      "cmpd_mwt": "90.08",
      "cmpd_formula": "C2H6N2O2",
      "cmpd_type": "amine",
      "cmpd_smiles": "[O-][N+](=O)NCC",
      "cmpd_inchi": "InChI=1S/C2H6N2O2/c1-2-3-4(5)6/h3H,2H2,1H3",
      "cmpd_inchikey": "AHLHDIKRENEJHF-UHFFFAOYSA-N",
      "OH_k298": "2.1e-12",
      "OH_uncert": "0.19",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N,N-diethylnitramine",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C4H10N2O2",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCN([N+](=O)[O-])CC",
      "cmpd_inchi": "InChI=1S/C4H10N2O2/c1-3-5(4-2)6(7)8/h3-4H2,1-2H3",
      "cmpd_inchikey": "QAXAHXNXXIWQIZ-UHFFFAOYSA-N",
      "OH_k298": "4.6e-12",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "S-methyl-N,N-dimethylthiocarbamate",
      "cmpd_mwt": "119.19",
      "cmpd_formula": "C4H9NOS",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "CSC(=O)N(C)C",
      "cmpd_inchi": "InChI=1S/C4H9NOS/c1-5(2)4(6)7-3/h1-3H3",
      "cmpd_inchikey": "GCOMUEMCOXVZNI-UHFFFAOYSA-N",
      "OH_k298": "1.33e-11",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "7.3e-15",
      "NO3_uncert": "0.41",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "S-ethyl-N,N-dipropylthiocarbamate",
      "cmpd_mwt": "189.32",
      "cmpd_formula": "C9H19NOS",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "CCCN(C(=O)SCC)CCC",
      "cmpd_inchi": "InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3",
      "cmpd_inchikey": "GUVLYNGULCJVDO-UHFFFAOYSA-N",
      "OH_k298": "3.18e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.2e-15",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "S-ethyl-N-ethyl-N-cyclohexylthiocarbamate",
      "cmpd_mwt": "215.36",
      "cmpd_formula": "C11H21NOS",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "CCN(C(=O)SCC)C1CCCCC1",
      "cmpd_inchi": "InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3",
      "cmpd_inchikey": "DFCAFRGABIXSDS-UHFFFAOYSA-N",
      "OH_k298": "3.54e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.29e-14",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,5-dimethyltetrahydrofuran",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC1CCC(O1)C",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "OXMIDRBAFOEOQT-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.84e-10",
      "Cl_uncert": "0.12",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl isothiocyanate",
      "cmpd_mwt": "87.14",
      "cmpd_formula": "C3H5NS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCN=C=S",
      "cmpd_inchi": "InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3",
      "cmpd_inchikey": "HBNYJWAFDZLWRS-UHFFFAOYSA-N",
      "OH_k298": "5.51e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "allyl isothiocyanate",
      "cmpd_mwt": "99.15",
      "cmpd_formula": "C4H5NS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C=CCN=C=S",
      "cmpd_inchi": "InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2",
      "cmpd_inchikey": "ZOJBYZNEUISWFT-UHFFFAOYSA-N",
      "OH_k298": "9.92e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "phenyl isothiocyanate",
      "cmpd_mwt": "135.19",
      "cmpd_formula": "C7H5NS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "S=C=Nc1ccccc1",
      "cmpd_inchi": "InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H",
      "cmpd_inchikey": "QKFJKGMPGYROCL-UHFFFAOYSA-N",
      "OH_k298": "2.18e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methylphenyl isothiocyanate",
      "cmpd_mwt": "149.21",
      "cmpd_formula": "C8H7NS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "S=C=Nc1ccccc1C",
      "cmpd_inchi": "InChI=1S/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3",
      "cmpd_inchikey": "JYKYYPPZLPVIBY-UHFFFAOYSA-N",
      "OH_k298": "2.89e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "benzoyl isothiocyanate",
      "cmpd_mwt": "163.2",
      "cmpd_formula": "C8H5NOS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "S=C=NC(=O)c1ccccc1",
      "cmpd_inchi": "InChI=1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H",
      "cmpd_inchikey": "CPEKAXYCDKETEN-UHFFFAOYSA-N",
      "OH_k298": "3.65e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methoxyphenyl isothiocyanate",
      "cmpd_mwt": "165.21",
      "cmpd_formula": "C8H7NOS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "COc1ccc(cc1)N=C=S",
      "cmpd_inchi": "InChI=1S/C8H7NOS/c1-10-8-4-2-7(3-5-8)9-6-11/h2-5H,1H3",
      "cmpd_inchikey": "VRPQCVLBOZOYCG-UHFFFAOYSA-N",
      "OH_k298": "4.63e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "maleic anhydride",
      "cmpd_mwt": "98.06",
      "cmpd_formula": "C4H2O3",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "O=C1C=CC(=O)O1",
      "cmpd_inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H",
      "cmpd_inchikey": "FPYJFEHAWHCUMM-UHFFFAOYSA-N",
      "OH_k298": "3.92e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "1.55e-12",
      "OH_B": "409.999999999888",
      "OH_n": "",
      "OH_t_low": "283",
      "OH_t_high": "374",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.4e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,4,4,5-pentafluoro-2,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolan-2-yl formate",
      "cmpd_mwt": "542.09",
      "cmpd_formula": "C11HO3F19",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=COC1(OC(C(C1(F)F)(F)F)(F)C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C11HF19O3/c12-2(8(19,20)21,9(22,23)24)6(18)4(14,15)5(16,17)7(33-6,32-1-31)3(13,10(25,26)27)11(28,29)30/h1H",
      "cmpd_inchikey": "FIUMBZUZJITYBW-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.34e-14",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-chloro-1,1,1-trifluoro-2-propanone",
      "cmpd_mwt": "146.5",
      "cmpd_formula": "C3H2OF3Cl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "ClCC(=O)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3H2ClF3O/c4-1-2(8)3(5,6)7/h1H2",
      "cmpd_inchikey": "OONJVQFMOZAXOI-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.63e-14",
      "Cl_uncert": "0.12",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane",
      "cmpd_mwt": "373.99",
      "cmpd_formula": "C6H4F9I",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "ICCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2",
      "cmpd_inchikey": "CXHFIVFPHDGZIS-UHFFFAOYSA-N",
      "OH_k298": "1.2e-12",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.25e-12",
      "Cl_uncert": "0.12",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,3-trimethoxybenzene",
      "cmpd_mwt": "168.19",
      "cmpd_formula": "C9H12O3",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "COc1c(OC)cccc1OC",
      "cmpd_inchi": "InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3",
      "cmpd_inchikey": "CRUILBNAQILVHZ-UHFFFAOYSA-N",
      "OH_k298": "7.7e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,4-trimethoxybenzene",
      "cmpd_mwt": "168.19",
      "cmpd_formula": "C9H12O3",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "COc1ccc(c(c1)OC)OC",
      "cmpd_inchi": "InChI=1S/C9H12O3/c1-10-7-4-5-8(11-2)9(6-7)12-3/h4-6H,1-3H3",
      "cmpd_inchikey": "AGIQIOSHSMJYJP-UHFFFAOYSA-N",
      "OH_k298": "1.29e-10",
      "OH_uncert": "0.43",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,3,5-trimethoxybenzene",
      "cmpd_mwt": "168.19",
      "cmpd_formula": "C9H12O3",
      "cmpd_type": "aromatic ether",
      "cmpd_smiles": "COc1cc(OC)cc(c1)OC",
      "cmpd_inchi": "InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3",
      "cmpd_inchikey": "LKUDPHPHKOZXCD-UHFFFAOYSA-N",
      "OH_k298": "1.56e-10",
      "OH_uncert": "0.44",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "alpha-1,2,3,4,5,6-hexachlorocyclohexane",
      "cmpd_mwt": "290.83",
      "cmpd_formula": "C6H6Cl6",
      "cmpd_type": "haloalkane (separated)",
      "cmpd_smiles": "Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H]([C@@H]([C@H]1Cl)Cl)Cl",
      "cmpd_inchi": "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m1/s1",
      "cmpd_inchikey": "JLYXXMFPNIAWKQ-SHFUYGGZSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "1.4e-11",
      "OH_B": "1347",
      "OH_n": "",
      "OH_t_low": "346",
      "OH_t_high": "386",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hexachlorobenzene",
      "cmpd_mwt": "284.78",
      "cmpd_formula": "C6Cl6",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl",
      "cmpd_inchi": "InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9",
      "cmpd_inchikey": "CKAPSXZOOQJIBF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "4.9e-10",
      "OH_B": "2923",
      "OH_n": "",
      "OH_t_low": "347",
      "OH_t_high": "386",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-ethyl perfluorobutanesulfonamide",
      "cmpd_mwt": "327.17",
      "cmpd_formula": "C6H6NO2F9S",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H6F9NO2S/c1-2-16-19(17,18)6(14,15)4(9,10)3(7,8)5(11,12)13/h16H,2H2,1H3",
      "cmpd_inchikey": "SSTPSALUCQWOOV-UHFFFAOYSA-N",
      "OH_k298": "3.74e-13",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.37e-12",
      "Cl_uncert": "0.17",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethyl-1-hexanol",
      "cmpd_mwt": "130.23",
      "cmpd_formula": "C8H18O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCCC(CO)CC",
      "cmpd_inchi": "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3",
      "cmpd_inchikey": "YIWUKEYIRIRTPP-UHFFFAOYSA-N",
      "OH_k298": "1.13e-11",
      "OH_uncert": "0.5",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.93e-15",
      "NO3_uncert": "0.31",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.88e-10",
      "Cl_uncert": "0.13",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropyl isocyanate",
      "cmpd_mwt": "85.1",
      "cmpd_formula": "C4H7NO",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CC(N=C=O)C",
      "cmpd_inchi": "InChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3",
      "cmpd_inchikey": "GSLTVFIVJMCNBH-UHFFFAOYSA-N",
      "OH_k298": "1.87e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "7.09e-13",
      "OH_B": "-307",
      "OH_n": "",
      "OH_t_low": "287",
      "OH_t_high": "321",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "allyl isocyanate",
      "cmpd_mwt": "83.09",
      "cmpd_formula": "C4H5NO",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C=CCN=C=O",
      "cmpd_inchi": "InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2",
      "cmpd_inchikey": "HXBPYFMVGFDZFT-UHFFFAOYSA-N",
      "OH_k298": "3.19e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "1.94e-14",
      "OH_B": "-2207",
      "OH_n": "",
      "OH_t_low": "282",
      "OH_t_high": "317",
      "O3_k298": "5.54e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "9.4e-16",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "decamethylcyclopentasiloxane",
      "cmpd_mwt": "370.77",
      "cmpd_formula": "C10H30O5Si5",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](O[Si](O1)(C)C)(C)C",
      "cmpd_inchi": "InChI=1S/C10H30O5Si5/c1-16(2)11-17(3,4)13-19(7,8)15-20(9,10)14-18(5,6)12-16/h1-10H3",
      "cmpd_inchikey": "XMSXQFUHVRWGNA-UHFFFAOYSA-N",
      "OH_k298": "1.82e-12",
      "OH_uncert": "0.26",
      "OH_u_fac": "",
      "OH_A": "6.92e-12",
      "OH_B": "397.999999999159",
      "OH_n": "",
      "OH_t_low": "313",
      "OH_t_high": "353",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.91e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "O,O-diethyl methylphosphonothioate",
      "cmpd_mwt": "168.19",
      "cmpd_formula": "C5H13O2PS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCOP(=S)(OCC)C",
      "cmpd_inchi": "InChI=1S/C5H13O2PS/c1-4-6-8(3,9)7-5-2/h4-5H2,1-3H3",
      "cmpd_inchikey": "GEDUXIUTPVHAAV-UHFFFAOYSA-N",
      "OH_k298": "2.04e-10",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "1.08e-11",
      "OH_B": "-871",
      "OH_n": "",
      "OH_t_low": "296",
      "OH_t_high": "348",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.01e-15",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "O,O,O-triethyl phosphorothioate",
      "cmpd_mwt": "198.22",
      "cmpd_formula": "C6H15O3PS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCOP(=S)(OCC)OCC",
      "cmpd_inchi": "InChI=1S/C6H15O3PS/c1-4-7-10(11,8-5-2)9-6-3/h4-6H2,1-3H3",
      "cmpd_inchikey": "QTPJMTACJMLPLL-UHFFFAOYSA-N",
      "OH_k298": "7.92e-11",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "8.21e-13",
      "OH_B": "-1353",
      "OH_n": "",
      "OH_t_low": "296",
      "OH_t_high": "348",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.03e-15",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "carbaryl",
      "cmpd_mwt": "201.22",
      "cmpd_formula": "C12H11NO2",
      "cmpd_type": "amine",
      "cmpd_smiles": "CNC(=O)Oc1cccc2c1cccc2",
      "cmpd_inchi": "InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)",
      "cmpd_inchikey": "CVXBEEMKQHEXEN-UHFFFAOYSA-N",
      "OH_k298": "3.3e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chlordimeform",
      "cmpd_mwt": "196.68",
      "cmpd_formula": "C10H13N2Cl",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CN(/C=N/c1ccc(cc1C)Cl)C",
      "cmpd_inchi": "InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3/b12-7+",
      "cmpd_inchikey": "STUSTWKEFDQFFZ-KPKJPENVSA-N",
      "OH_k298": "3e-10",
      "OH_uncert": "0.23",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4-D butyl ester",
      "cmpd_mwt": "277.14",
      "cmpd_formula": "C12H14O3Cl2",
      "cmpd_type": "aromatic halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCCCOC(=O)COc1ccc(cc1Cl)Cl",
      "cmpd_inchi": "InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3",
      "cmpd_inchikey": "UQMRAFJOBWOFNS-UHFFFAOYSA-N",
      "OH_k298": "1.5e-11",
      "OH_uncert": "0.13",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylphosphonic dichloride",
      "cmpd_mwt": "132.91",
      "cmpd_formula": "CH3OPCl2",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CP(=O)(Cl)Cl",
      "cmpd_inchi": "InChI=1S/CH3Cl2OP/c1-5(2,3)4/h1H3",
      "cmpd_inchikey": "SCLFRABIDYGTAZ-UHFFFAOYSA-N",
      "OH_k298": "6.4e-14",
      "OH_uncert": "0.33",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trimethyl phosphite",
      "cmpd_mwt": "124.08",
      "cmpd_formula": "C3H9O3P",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "COP(OC)OC",
      "cmpd_inchi": "InChI=1S/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3",
      "cmpd_inchikey": "CYTQBVOFDCPGCX-UHFFFAOYSA-N",
      "OH_k298": "7.1e-10",
      "OH_uncert": "0.13",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trimethyl phosphate",
      "cmpd_mwt": "140.08",
      "cmpd_formula": "C3H9O4P",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "COP(=O)(OC)OC",
      "cmpd_inchi": "InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3",
      "cmpd_inchikey": "WVLBCYQITXONBZ-UHFFFAOYSA-N",
      "OH_k298": "7.67e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "7.27e-18",
      "OH_B": "-4133",
      "OH_n": "9",
      "OH_t_low": "273",
      "OH_t_high": "837",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "decamethyltetrasiloxane",
      "cmpd_mwt": "310.69",
      "cmpd_formula": "C10H30O3Si4",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si](O[Si](C)(C)C)(O[Si](O[Si](C)(C)C)(C)C)C",
      "cmpd_inchi": "InChI=1S/C10H30O3Si4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h1-10H3",
      "cmpd_inchikey": "YFCGDEUVHLPRCZ-UHFFFAOYSA-N",
      "OH_k298": "2.7e-12",
      "OH_uncert": "0.18",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.36e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,4-benzoquinone",
      "cmpd_mwt": "108.09",
      "cmpd_formula": "C6H4O2",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "O=C1C=CC(=O)C=C1",
      "cmpd_inchi": "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H",
      "cmpd_inchikey": "AZQWKYJCGOJGHM-UHFFFAOYSA-N",
      "OH_k298": "4.6e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.95e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl-1,4-benzoquinone",
      "cmpd_mwt": "122.12",
      "cmpd_formula": "C7H6O2",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "O=C1C=CC(=O)C(=C1)C",
      "cmpd_inchi": "InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3",
      "cmpd_inchikey": "VTWDKFNVVLAELH-UHFFFAOYSA-N",
      "OH_k298": "2.3e-11",
      "OH_uncert": "",
      "OH_u_fac": "1.4",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "glutaraldehyde",
      "cmpd_mwt": "100.12",
      "cmpd_formula": "C5H8O2",
      "cmpd_type": "aldehyde",
      "cmpd_smiles": "O=CCCCC=O",
      "cmpd_inchi": "InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2",
      "cmpd_inchikey": "SXRSQZLOMIGNAQ-UHFFFAOYSA-N",
      "OH_k298": "2.38e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2,4-trichlorobenzene",
      "cmpd_mwt": "181.45",
      "cmpd_formula": "C6H3Cl3",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "Clc1ccc(c(c1)Cl)Cl",
      "cmpd_inchi": "InChI=1S/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H",
      "cmpd_inchikey": "PBKONEOXTCPAFI-UHFFFAOYSA-N",
      "OH_k298": "5e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "2.3e-12",
      "OH_B": "430",
      "OH_n": "",
      "OH_t_low": "273",
      "OH_t_high": "368",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chloro-4-(trifluoromethyl)benzene",
      "cmpd_mwt": "180.55",
      "cmpd_formula": "C7H4F3Cl",
      "cmpd_type": "aromatic halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(c1ccc(cc1)Cl)(F)F",
      "cmpd_inchi": "InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H",
      "cmpd_inchikey": "QULYNCCPRWKEMF-UHFFFAOYSA-N",
      "OH_k298": "2.3e-13",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trifluoromethylbenzene",
      "cmpd_mwt": "146.11",
      "cmpd_formula": "C7H5F3",
      "cmpd_type": "aromatic halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(c1ccccc1)(F)F",
      "cmpd_inchi": "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H",
      "cmpd_inchikey": "GETTZEONDQJALK-UHFFFAOYSA-N",
      "OH_k298": "4.4e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N,N-diethylhydroxylamine",
      "cmpd_mwt": "89.14",
      "cmpd_formula": "C4H11NO",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCN(CC)O",
      "cmpd_inchi": "InChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3",
      "cmpd_inchikey": "FVCOIAYSJZGECG-UHFFFAOYSA-N",
      "OH_k298": "1.01e-10",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl 2-chloropropanoate",
      "cmpd_mwt": "136.58",
      "cmpd_formula": "C5H9O2Cl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCOC(=O)C(Cl)C",
      "cmpd_inchi": "InChI=1S/C5H9ClO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3",
      "cmpd_inchikey": "JEAVBVKAYUCPAQ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.43e-12",
      "Cl_uncert": "0.11",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "hydroxymethyl hydroperoxide",
      "cmpd_mwt": "64.04",
      "cmpd_formula": "CH4O3",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "OOCO",
      "cmpd_inchi": "InChI=1S/CH4O3/c2-1-4-3/h2-3H,1H2",
      "cmpd_inchikey": "NEZWFWIACBUQMN-UHFFFAOYSA-N",
      "OH_k298": "7.1e-12",
      "OH_uncert": "0.21",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-hexenenitrile",
      "cmpd_mwt": "95.14",
      "cmpd_formula": "C6H9N",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "C=CCCCC#N",
      "cmpd_inchi": "InChI=1S/C6H9N/c1-2-3-4-5-6-7/h2H,1,3-5H2",
      "cmpd_inchikey": "UNAQSRLBVVDYGP-UHFFFAOYSA-N",
      "OH_k298": "3.34e-11",
      "OH_uncert": "0.19",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.88e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "6-heptenenitrile",
      "cmpd_mwt": "109.17",
      "cmpd_formula": "C7H11N",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "C=CCCCCC#N",
      "cmpd_inchi": "InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2H,1,3-6H2",
      "cmpd_inchikey": "ZLWQKLRMIQIHKQ-UHFFFAOYSA-N",
      "OH_k298": "3.61e-11",
      "OH_uncert": "0.24",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.64e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-octen-3-ol",
      "cmpd_mwt": "128.21",
      "cmpd_formula": "C8H16O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CCCCCC(C=C)O",
      "cmpd_inchi": "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3",
      "cmpd_inchikey": "VSMOENVRRABVKN-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.91e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.18e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nonen-3-ol",
      "cmpd_mwt": "142.24",
      "cmpd_formula": "C9H18O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CCCCCCC(C=C)O",
      "cmpd_inchi": "InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h4,9-10H,2-3,5-8H2,1H3",
      "cmpd_inchikey": "DWUPJMHAPOQKGJ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.89e-17",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-nonen-4-ol",
      "cmpd_mwt": "142.24",
      "cmpd_formula": "C9H18O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CCCCCC(CC=C)O",
      "cmpd_inchi": "InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h4,9-10H,2-3,5-8H2,1H3",
      "cmpd_inchikey": "NDUPBTSXOSZHON-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "8.3e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "prosulfocarb",
      "cmpd_mwt": "251.39",
      "cmpd_formula": "C14H21NOS",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "CCCN(C(=O)SCc1ccccc1)CCC",
      "cmpd_inchi": "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3",
      "cmpd_inchikey": "NQLVQOSNDJXLKG-UHFFFAOYSA-N",
      "OH_k298": "2.9e-11",
      "OH_uncert": "0.17",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-chlorosalicylaldehyde",
      "cmpd_mwt": "156.57",
      "cmpd_formula": "C7H5O2Cl",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "O=Cc1cc(Cl)ccc1O",
      "cmpd_inchi": "InChI=1S/C7H5ClO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H",
      "cmpd_inchikey": "FUGKCSRLAQKUHG-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-4-chlorophenoxyacetic acid",
      "cmpd_mwt": "200.62",
      "cmpd_formula": "C9H9O3Cl",
      "cmpd_type": "aromatic halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(=O)COc1ccc(cc1C)Cl",
      "cmpd_inchi": "InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)",
      "cmpd_inchikey": "WHKUVVPPKQRRBV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "mecoprop-p",
      "cmpd_mwt": "214.65",
      "cmpd_formula": "C10H11O3Cl",
      "cmpd_type": "aromatic halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OC(=O)C(Oc1ccc(cc1C)Cl)C",
      "cmpd_inchi": "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)",
      "cmpd_inchikey": "WNTGYJSOUMFZEP-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-1,2-difluoroethene",
      "cmpd_mwt": "64.03",
      "cmpd_formula": "C2H2F2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "F/C=C/F",
      "cmpd_inchi": "InChI=1S/C2H2F2/c3-1-2-4/h1-2H/b2-1+",
      "cmpd_inchikey": "WFLOTYSKFUPZQB-OWOJBTEDSA-N",
      "OH_k298": "8.02e-12",
      "OH_uncert": "0.1",
      "OH_u_fac": "",
      "OH_A": "3.75e-12",
      "OH_B": "-230",
      "OH_n": "",
      "OH_t_low": "250",
      "OH_t_high": "430",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-3-hexenylpropanoate",
      "cmpd_mwt": "156.22",
      "cmpd_formula": "C9H16O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CC/C=C\\CCOC(=O)CC",
      "cmpd_inchi": "InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5-",
      "cmpd_inchikey": "LGTLDEUQCOJGFP-WAYWQWQTSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "7.62e-17",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-3-hexenylbutanoate",
      "cmpd_mwt": "170.25",
      "cmpd_formula": "C10H18O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CC/C=C\\CCOC(=O)CCC",
      "cmpd_inchi": "InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-",
      "cmpd_inchikey": "ZCHOPXVYTWUHDS-WAYWQWQTSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.23e-16",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-chloro-1-butene",
      "cmpd_mwt": "90.55",
      "cmpd_formula": "C4H7Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClCCC=C",
      "cmpd_inchi": "InChI=1S/C4H7Cl/c1-2-3-4-5/h2H,1,3-4H2",
      "cmpd_inchikey": "WKEVRZCQFQDCIR-UHFFFAOYSA-N",
      "OH_k298": "2.63e-11",
      "OH_uncert": "0.37",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.96e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.48e-15",
      "NO3_uncert": "0.27",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.35e-10",
      "Cl_uncert": "0.38",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-hydroxy-2-methylbut-3-en-2-yl nitrate",
      "cmpd_mwt": "147.13",
      "cmpd_formula": "C5H9NO4",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "[O-][N+](=O)OC(C=C)(CO)C",
      "cmpd_inchi": "InChI=1S/C5H9NO4/c1-3-5(2,4-7)10-6(8)9/h3,7H,1,4H2,2H3",
      "cmpd_inchikey": "CIXVZPWFWFMUOH-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "5.3e-17",
      "O3_uncert": "",
      "O3_u_fac": "2",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-penten-1-ol",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "OCCCC=C",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2",
      "cmpd_inchikey": "LQAVWYMTUMSFBE-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "7.68e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "farnesol",
      "cmpd_mwt": "222.37",
      "cmpd_formula": "C15H26O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "OCC=C(CCC=C(CCC=C(C)C)C)C",
      "cmpd_inchi": "InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3",
      "cmpd_inchikey": "CRDAMVZIKSXKFV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.1e-15",
      "O3_uncert": "0.25",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.4e-11",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethylidene cyclohexane",
      "cmpd_mwt": "110.2",
      "cmpd_formula": "C8H14",
      "cmpd_type": "cyclic monoalkene",
      "cmpd_smiles": "CC=C1CCCCC1",
      "cmpd_inchi": "InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2H,3-7H2,1H3",
      "cmpd_inchikey": "BPBOWYWUOUJKLO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.23e-16",
      "O3_uncert": "0.26",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.3e-12",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-tert-butyl-4-(propan-2-ylidene)cyclohex-1-ene",
      "cmpd_mwt": "178.31",
      "cmpd_formula": "C13H22",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "CC(=C1CCC(=CC1)C(C)(C)C)C",
      "cmpd_inchi": "InChI=1S/C13H22/c1-10(2)11-6-8-12(9-7-11)13(3,4)5/h8H,6-7,9H2,1-5H3",
      "cmpd_inchikey": "XHBSGUGYPXFRDK-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.5e-15",
      "O3_uncert": "0.31",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3a,4,7,7a-tetrahydro-1H-4,7-methanoindene",
      "cmpd_mwt": "132.2",
      "cmpd_formula": "C10H12",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "C1=CC2C(C1)C1C=CC2C1",
      "cmpd_inchi": "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2",
      "cmpd_inchikey": "HECLRDQVFMWTQS-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.46e-15",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.2e-12",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-nonenal",
      "cmpd_mwt": "140.22",
      "cmpd_formula": "C9H16O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "CCCCCC/C=C/C=O",
      "cmpd_inchi": "InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+",
      "cmpd_inchikey": "BSAIUMLZVGUGKX-BQYQJAHWSA-N",
      "OH_k298": "4.35e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.05e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl 3,3-dimethyl acrylate",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C7H12O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCOC(=O)C=C(C)C",
      "cmpd_inchi": "InChI=1S/C7H12O2/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3",
      "cmpd_inchikey": "UTXVCHVLDOLVPC-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "8.2e-18",
      "O3_uncert": "0.23",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "propyl methacrylate",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C7H12O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCCOC(=O)C(=C)C",
      "cmpd_inchi": "InChI=1S/C7H12O2/c1-4-5-9-7(8)6(2)3/h2,4-5H2,1,3H3",
      "cmpd_inchikey": "NHARPDSAXCBDDR-UHFFFAOYSA-N",
      "OH_k298": "4.86e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.49e-12",
      "OH_B": "-708",
      "OH_n": "",
      "OH_t_low": "257",
      "OH_t_high": "376",
      "O3_k298": "8.46e-18",
      "O3_uncert": "0.25",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.23e-15",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "isopropyl methacrylate",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C7H12O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CC(OC(=O)C(=C)C)C",
      "cmpd_inchi": "InChI=1S/C7H12O2/c1-5(2)7(8)9-6(3)4/h6H,1H2,2-4H3",
      "cmpd_inchikey": "BOQSSGDQNWEFSX-UHFFFAOYSA-N",
      "OH_k298": "5.36e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "4.62e-12",
      "OH_B": "-735",
      "OH_n": "",
      "OH_t_low": "257",
      "OH_t_high": "376",
      "O3_k298": "1.12e-17",
      "O3_uncert": "0.25",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "7.9e-15",
      "NO3_uncert": "0.24",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "i-butyl methacrylate",
      "cmpd_mwt": "142.2",
      "cmpd_formula": "C8H14O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CC(COC(=O)C(=C)C)C",
      "cmpd_inchi": "InChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3",
      "cmpd_inchikey": "RUMACXVDVNRZJZ-UHFFFAOYSA-N",
      "OH_k298": "5.27e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "5.53e-12",
      "OH_B": "-680",
      "OH_n": "",
      "OH_t_low": "257",
      "OH_t_high": "376",
      "O3_k298": "1.03e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "6.02e-15",
      "NO3_uncert": "0.15",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "eugenol",
      "cmpd_mwt": "164.2",
      "cmpd_formula": "C10H12O2",
      "cmpd_type": "mixed oxygenate",
      "cmpd_smiles": "C=CCc1ccc(c(c1)OC)O",
      "cmpd_inchi": "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",
      "cmpd_inchikey": "RRAFCDWBNXTKKO-UHFFFAOYSA-N",
      "OH_k298": "8.34e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.6e-13",
      "NO3_uncert": "0.25",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-ethylguaiacol",
      "cmpd_mwt": "152.19",
      "cmpd_formula": "C9H12O2",
      "cmpd_type": "aromatic oxygenate",
      "cmpd_smiles": "CCc1ccc(c(c1)OC)O",
      "cmpd_inchi": "InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3",
      "cmpd_inchikey": "CHWNEIVBYREQRF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.1e-12",
      "NO3_uncert": "0.18",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tert-butyl 2-methylprop-2-enoate",
      "cmpd_mwt": "142.2",
      "cmpd_formula": "C8H14O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CC(=C)C(=O)OC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C8H14O2/c1-6(2)7(9)10-8(3,4)5/h1H2,2-5H3",
      "cmpd_inchikey": "SJMYWORNLPSJQO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "N-nitrosodiethylamine",
      "cmpd_mwt": "102.14",
      "cmpd_formula": "C4H10N2O",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCN(N=O)CC",
      "cmpd_inchi": "InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3",
      "cmpd_inchikey": "WBNQDOYYEUMPFS-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "5.1e-16",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-butanol",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C5H12O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCC(CO)C",
      "cmpd_inchi": "InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3",
      "cmpd_inchikey": "QPRQEDXDYOZYLA-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.39e-15",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3-dimethyl-1-butanol",
      "cmpd_mwt": "102.17",
      "cmpd_formula": "C6H14O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OCCC(C)(C)C",
      "cmpd_inchi": "InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3",
      "cmpd_inchikey": "DUXCSEISVMREAX-UHFFFAOYSA-N",
      "OH_k298": "5.56e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.8e-15",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.82e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3-dimethyl-2-butanol",
      "cmpd_mwt": "102.17",
      "cmpd_formula": "C6H14O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CC(C(C)(C)C)O",
      "cmpd_inchi": "InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3",
      "cmpd_inchikey": "DFOXKPDFWGNLJU-UHFFFAOYSA-N",
      "OH_k298": "9.84e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.52e-15",
      "NO3_uncert": "0.1",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.28e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methylheptane",
      "cmpd_mwt": "114.23",
      "cmpd_formula": "C8H18",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCCC(CCC)C",
      "cmpd_inchi": "InChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3",
      "cmpd_inchikey": "CHBAWFGIXDBEBT-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-3-ethylpentane",
      "cmpd_mwt": "114.23",
      "cmpd_formula": "C8H18",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCC(C(C)C)CC",
      "cmpd_inchi": "InChI=1S/C8H18/c1-5-8(6-2)7(3)4/h7-8H,5-6H2,1-4H3",
      "cmpd_inchikey": "DUPUVYJQZSLSJB-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3-trimethylpentane",
      "cmpd_mwt": "114.23",
      "cmpd_formula": "C8H18",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCC(C(C)(C)C)C",
      "cmpd_inchi": "InChI=1S/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3",
      "cmpd_inchikey": "XTDQDBVBDLYELW-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-ethylpentane",
      "cmpd_mwt": "100.2",
      "cmpd_formula": "C7H16",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCC(CC)CC",
      "cmpd_inchi": "InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3",
      "cmpd_inchikey": "AORMDLNPRGXHHL-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2,3,4-tetramethylpentane",
      "cmpd_mwt": "128.26",
      "cmpd_formula": "C9H20",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CC(C(C(C)(C)C)C)C",
      "cmpd_inchi": "InChI=1S/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H3",
      "cmpd_inchikey": "VZFMYOCAEQDWDY-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dimethyl-3-ethylpentane",
      "cmpd_mwt": "128.26",
      "cmpd_formula": "C9H20",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCC(C(C)(C)C)CC",
      "cmpd_inchi": "InChI=1S/C9H20/c1-6-8(7-2)9(3,4)5/h8H,6-7H2,1-5H3",
      "cmpd_inchikey": "CLZCPQKGOAXOJT-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4-dimethyl-3-ethylpentane",
      "cmpd_mwt": "128.26",
      "cmpd_formula": "C9H20",
      "cmpd_type": "branched alkane",
      "cmpd_smiles": "CCC(C(C)C)C(C)C",
      "cmpd_inchi": "InChI=1S/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3",
      "cmpd_inchikey": "VLHAGZNBWKUMRW-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ammonia",
      "cmpd_mwt": "17.03",
      "cmpd_formula": "H3N",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "N",
      "cmpd_inchi": "InChI=1S/H3N/h1H3",
      "cmpd_inchikey": "QGZKDVFQNNGYKY-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chloromethyl methylsulfide",
      "cmpd_mwt": "96.58",
      "cmpd_formula": "C2H5SCl",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "CSCCl",
      "cmpd_inchi": "InChI=1S/C2H5ClS/c1-4-2-3/h2H2,1H3",
      "cmpd_inchikey": "JWMLCCRPDOIBAV-UHFFFAOYSA-N",
      "OH_k298": "2.5e-12",
      "OH_uncert": "",
      "OH_u_fac": "1.5",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-2-methyl-2-pentenal",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "C/C(=C/CC)/C=O",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4-",
      "cmpd_inchikey": "IDEYZABHVQLHAF-XQRVVYSFSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "7.1e-18",
      "O3_uncert": "0.23",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-methyl-2-pentenal",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "C/C(=C\\CC)/C=O",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+",
      "cmpd_inchikey": "IDEYZABHVQLHAF-GQCTYLIASA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.58e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "1.42e-17",
      "O3_B": "664",
      "O3_n": "",
      "O3_t_low": "273",
      "O3_t_high": "353",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,3-pentadiene",
      "cmpd_mwt": "68.12",
      "cmpd_formula": "C5H8",
      "cmpd_type": "allene",
      "cmpd_smiles": "CC=C=CC",
      "cmpd_inchi": "InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2H3",
      "cmpd_inchikey": "PODAMDNJNMAKAZ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chlorocyclopentene",
      "cmpd_mwt": "102.56",
      "cmpd_formula": "C5H7Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClC1=CCCC1",
      "cmpd_inchi": "InChI=1S/C5H7Cl/c6-5-3-1-2-4-5/h3H,1-2,4H2",
      "cmpd_inchikey": "UJUIJZWQFDQKHO-UHFFFAOYSA-N",
      "OH_k298": "5.92e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "6.27e-12",
      "OH_B": "-669",
      "OH_n": "",
      "OH_t_low": "262",
      "OH_t_high": "335",
      "O3_k298": "1.53e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "4.52e-16",
      "O3_B": "1009.00000000005",
      "O3_n": "",
      "O3_t_low": "240",
      "O3_t_high": "331",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.71e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "iodoform",
      "cmpd_mwt": "393.73",
      "cmpd_formula": "CHI3",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "IC(I)I",
      "cmpd_inchi": "InChI=1S/CHI3/c2-1(3)4/h1H",
      "cmpd_inchikey": "OKJPEAGHQZHRQV-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-pentanoyl chloride",
      "cmpd_mwt": "120.58",
      "cmpd_formula": "C5H9OCl",
      "cmpd_type": "saturated halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "CCCCC(=O)Cl",
      "cmpd_inchi": "InChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3",
      "cmpd_inchikey": "XGISHOFUAFNYQF-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.74e-11",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-pentanethiol",
      "cmpd_mwt": "104.21",
      "cmpd_formula": "C5H12S",
      "cmpd_type": "mercaptan",
      "cmpd_smiles": "CCCCCS",
      "cmpd_inchi": "InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3",
      "cmpd_inchikey": "ZRKMQKLGEQPLNS-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.97e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "1.28e-10",
      "Cl_B": "-129",
      "Cl_n": "",
      "Cl_t_low": "270",
      "Cl_t_high": "379"
    },
    {
      "cmpd_name": "methoxyflurane",
      "cmpd_mwt": "164.97",
      "cmpd_formula": "C3H4OF2Cl2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(C(Cl)Cl)(F)F",
      "cmpd_inchi": "InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3",
      "cmpd_inchikey": "RFKMCNOHBTXSMU-UHFFFAOYSA-N",
      "OH_k298": "2.06e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.03e-13",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "thioacetic acid",
      "cmpd_mwt": "76.12",
      "cmpd_formula": "C2H4OS",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CC(=O)S",
      "cmpd_inchi": "InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)",
      "cmpd_inchikey": "DUYAAUVXQSMXQP-UHFFFAOYSA-N",
      "OH_k298": "1.3e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-ethanedithiol",
      "cmpd_mwt": "94.2",
      "cmpd_formula": "C2H6S2",
      "cmpd_type": "mercaptan",
      "cmpd_smiles": "SCCS",
      "cmpd_inchi": "InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2",
      "cmpd_inchikey": "VYMPLPIFKRHAAC-UHFFFAOYSA-N",
      "OH_k298": "3.8e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "HFO-1438ezy(E)",
      "cmpd_mwt": "214.06",
      "cmpd_formula": "C5H2F8",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "F/C=C/C(C(F)(F)F)(C(F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C5H2F8/c6-2-1-3(7,4(8,9)10)5(11,12)13/h1-2H/b2-1+",
      "cmpd_inchikey": "SKQJYUPAFGVYKS-OWOJBTEDSA-N",
      "OH_k298": "3.26e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "6.61e-14",
      "OH_B": "-481",
      "OH_n": "2",
      "OH_t_low": "214",
      "OH_t_high": "380",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl s-butyl ether",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C5H12O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCC(OC)C",
      "cmpd_inchi": "InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3",
      "cmpd_inchikey": "FVNIMHIOIXPIQT-UHFFFAOYSA-N",
      "OH_k298": "9.67e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.73e-15",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.16e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "tetrahydrothiophene",
      "cmpd_mwt": "88.17",
      "cmpd_formula": "C4H8S",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "C1CCCS1",
      "cmpd_inchi": "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2",
      "cmpd_inchikey": "RAOIDOHSFRTOEL-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "4.1e-12",
      "NO3_uncert": "0.4",
      "NO3_u_fac": "",
      "NO3_A": "1e-13",
      "NO3_B": "-1000",
      "NO3_n": "",
      "NO3_t_low": "263",
      "NO3_t_high": "340",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dimethylsulfate",
      "cmpd_mwt": "126.13",
      "cmpd_formula": "C2H6O4S",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "COS(=O)(=O)OC",
      "cmpd_inchi": "InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3",
      "cmpd_inchikey": "VAYGXNSJCAHWJZ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.2e-13",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diethylsulfate",
      "cmpd_mwt": "154.18",
      "cmpd_formula": "C4H10O4S",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CCOS(=O)(=O)OCC",
      "cmpd_inchi": "InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "DENRZWYUOJLTMF-UHFFFAOYSA-N",
      "OH_k298": "1.75e-12",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.22e-11",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trifluralin",
      "cmpd_mwt": "335.28",
      "cmpd_formula": "C13H16N3O4F3",
      "cmpd_type": "amine",
      "cmpd_smiles": "CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC",
      "cmpd_inchi": "InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3",
      "cmpd_inchikey": "ZSDSQXJSNMTJDA-UHFFFAOYSA-N",
      "OH_k298": "1.76e-11",
      "OH_uncert": "0.35",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethylene carbonate",
      "cmpd_mwt": "88.06",
      "cmpd_formula": "C3H4O3",
      "cmpd_type": "ester",
      "cmpd_smiles": "O=C1OCCO1",
      "cmpd_inchi": "InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2",
      "cmpd_inchikey": "KMTRUDSVKNLOMY-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.29e-12",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methylene glycol diformate",
      "cmpd_mwt": "104.06",
      "cmpd_formula": "C3H4O4",
      "cmpd_type": "ester",
      "cmpd_smiles": "O=COCOC=O",
      "cmpd_inchi": "InChI=1S/C3H4O4/c4-1-6-3-7-2-5/h1-2H,3H2",
      "cmpd_inchikey": "PRJDJMAAFPHJFM-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.66e-13",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-(1,1,2,2-tetrafluoroethoxy)prop-1-ene",
      "cmpd_mwt": "158.09",
      "cmpd_formula": "C5H6OF4",
      "cmpd_type": "unsaturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "C=CCOC(C(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H6F4O/c1-2-3-10-5(8,9)4(6)7/h2,4H,1,3H2",
      "cmpd_inchikey": "DTDFWYZVBJYVPL-UHFFFAOYSA-N",
      "OH_k298": "1.9e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-ethoxypropene",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated ether",
      "cmpd_smiles": "CCOC(=C)C",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-4-6-5(2)3/h2,4H2,1,3H3",
      "cmpd_inchikey": "FSGHEPDRMHVUCQ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.92e-17",
      "O3_uncert": "0.15",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl thiolformate",
      "cmpd_mwt": "76.12",
      "cmpd_formula": "C2H4OS",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "CSC=O",
      "cmpd_inchi": "InChI=1S/C2H4OS/c1-4-2-3/h2H,1H3",
      "cmpd_inchikey": "LFJRGYNYRORDDM-UHFFFAOYSA-N",
      "OH_k298": "1.11e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.7e-11",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "pyruvonitrile",
      "cmpd_mwt": "69.06",
      "cmpd_formula": "C3H3NO",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "CC(=O)C#N",
      "cmpd_inchi": "InChI=1S/C3H3NO/c1-3(5)2-4/h1H3",
      "cmpd_inchikey": "QLDHWVVRQCGZLE-UHFFFAOYSA-N",
      "OH_k298": "2.9e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "9.96e-15",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(Z)-4-methyl-2-pentene",
      "cmpd_mwt": "84.16",
      "cmpd_formula": "C6H12",
      "cmpd_type": "acyclic internal monoalkene",
      "cmpd_smiles": "C/C=C\\C(C)C",
      "cmpd_inchi": "InChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3/b5-4-",
      "cmpd_inchikey": "LGAQJENWWYGFSN-PLNGDYQASA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "4.11e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-vinylfuran",
      "cmpd_mwt": "94.11",
      "cmpd_formula": "C6H6O",
      "cmpd_type": "furan",
      "cmpd_smiles": "C=Cc1ccco1",
      "cmpd_inchi": "InChI=1S/C6H6O/c1-2-6-4-3-5-7-6/h2-5H,1H2",
      "cmpd_inchikey": "QQBUHYQVKJQAOB-UHFFFAOYSA-N",
      "OH_k298": "8.8e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methylacetophenone",
      "cmpd_mwt": "134.18",
      "cmpd_formula": "C9H10O",
      "cmpd_type": "aromatic ketone",
      "cmpd_smiles": "Cc1ccc(cc1)C(=O)C",
      "cmpd_inchi": "InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3",
      "cmpd_inchikey": "GNKZMNRKLCTJAY-UHFFFAOYSA-N",
      "OH_k298": "4.71e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methane sulfinic acid",
      "cmpd_mwt": "80.11",
      "cmpd_formula": "CH4O2S",
      "cmpd_type": "sulfoxide",
      "cmpd_smiles": "CS(=O)O",
      "cmpd_inchi": "InChI=1S/CH4O2S/c1-4(2)3/h1H3,(H,2,3)",
      "cmpd_inchikey": "XNEFVTBPCXGIRX-UHFFFAOYSA-N",
      "OH_k298": "9e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-chlorophenol",
      "cmpd_mwt": "128.56",
      "cmpd_formula": "C6H5OCl",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Oc1cccc(c1)Cl",
      "cmpd_inchi": "InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H",
      "cmpd_inchikey": "HORNXRXVQWOLPJ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.56e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-chlorophenol",
      "cmpd_mwt": "128.56",
      "cmpd_formula": "C6H5OCl",
      "cmpd_type": "aromatic halogen-containing oxygenate (halogens separated)",
      "cmpd_smiles": "Oc1ccc(cc1)Cl",
      "cmpd_inchi": "InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H",
      "cmpd_inchikey": "WXNZTHHGJRFXKQ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.38e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-(difluoromethoxy)-2-[2-(difluoromethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethane",
      "cmpd_mwt": "350.06",
      "cmpd_formula": "C6H2O3F12",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(C(OC(C(OC(F)F)(F)F)(F)F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C6H2F12O3/c7-1(8)19-3(11,12)5(15,16)21-6(17,18)4(13,14)20-2(9)10/h1-2H",
      "cmpd_inchikey": "FZPPENGUXKSLGQ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.51e-17",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,3,3,4,4,6,6,7,7,9,9,10,10,12,12-hexadecafluoro-2,5,8,11-tetraoxadodecane",
      "cmpd_mwt": "466.07",
      "cmpd_formula": "C8H2O4F16",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(C(OC(C(OC(C(OC(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C8H2F16O4/c9-1(10)25-3(13,14)5(17,18)27-7(21,22)8(23,24)28-6(19,20)4(15,16)26-2(11)12/h1-2H",
      "cmpd_inchikey": "LSIYZBIPJMCFSZ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.51e-17",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,3,3,4,4,6,6,7,7,9,9,10,10,12,12,13,13,15,15-icosafluoro-2,5,8,11,14-pentaoxapentadecane",
      "cmpd_mwt": "582.09",
      "cmpd_formula": "C10H2O5F20",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "FC(OC(C(OC(C(OC(C(OC(C(OC(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F",
      "cmpd_inchi": "InChI=1S/C10H2F20O5/c11-1(12)31-3(15,16)5(19,20)33-7(23,24)9(27,28)35-10(29,30)8(25,26)34-6(21,22)4(17,18)32-2(13)14/h1-2H",
      "cmpd_inchikey": "DWWJRZATBWAPPZ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.51e-17",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl chloroacetate",
      "cmpd_mwt": "108.52",
      "cmpd_formula": "C3H5O2Cl",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "COC(=O)CCl",
      "cmpd_inchi": "InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3",
      "cmpd_inchikey": "QABLOFMHHSOFRJ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "8.5e-13",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trans-beta-methylstyrene",
      "cmpd_mwt": "118.18",
      "cmpd_formula": "C9H10",
      "cmpd_type": "aromatic hydrocarbon with extra double or triple bonds",
      "cmpd_smiles": "C/C=C/c1ccccc1",
      "cmpd_inchi": "InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+",
      "cmpd_inchikey": "QROGIFZRVHSFLM-QHHAFSJGSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.21e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2-trifluoro-2-(trifluoromethyl)cyclobutane",
      "cmpd_mwt": "178.08",
      "cmpd_formula": "C5H4F6",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC(C1(F)CCC1(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H4F6/c6-3(5(9,10)11)1-2-4(3,7)8/h1-2H2",
      "cmpd_inchikey": "DHZPVNGMSDDSQX-UHFFFAOYSA-N",
      "OH_k298": "3.43e-14",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.16e-14",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-methoxy-1-propanol",
      "cmpd_mwt": "90.12",
      "cmpd_formula": "C4H10O2",
      "cmpd_type": "alcohol or glycol ether",
      "cmpd_smiles": "COCCCO",
      "cmpd_inchi": "InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3",
      "cmpd_inchikey": "JDFDHBSESGTDAL-UHFFFAOYSA-N",
      "OH_k298": "2.15e-11",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.6200000000000003e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl pyruvate",
      "cmpd_mwt": "102.09",
      "cmpd_formula": "C4H6O3",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "COC(=O)C(=O)C",
      "cmpd_inchi": "InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3",
      "cmpd_inchikey": "CWKLZLBVOJRSOM-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.72e-13",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "butanenitrile",
      "cmpd_mwt": "69.11",
      "cmpd_formula": "C4H7N",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "CCCC#N",
      "cmpd_inchi": "InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3",
      "cmpd_inchikey": "KVNRLNFWIYMESJ-UHFFFAOYSA-N",
      "OH_k298": "4.43e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.13e-11",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "pentanenitrile",
      "cmpd_mwt": "83.13",
      "cmpd_formula": "C5H9N",
      "cmpd_type": "nitrile",
      "cmpd_smiles": "CCCCC#N",
      "cmpd_inchi": "InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3",
      "cmpd_inchikey": "RFFFKMOABOFIDF-UHFFFAOYSA-N",
      "OH_k298": "1.48e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "7.06e-11",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-2-propenyl acetate",
      "cmpd_mwt": "114.14",
      "cmpd_formula": "C6H10O2",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CC(=O)OCC(=C)C",
      "cmpd_inchi": "InChI=1S/C6H10O2/c1-5(2)4-8-6(3)7/h1,4H2,2-3H3",
      "cmpd_inchikey": "IVKYUXHYUAMPMT-UHFFFAOYSA-N",
      "OH_k298": "7.19e-11",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "2.76e-18",
      "O3_uncert": "0.2",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.04e-14",
      "NO3_uncert": "0.35",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.44e-10",
      "Cl_uncert": "0.25",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3,3,3-trifluoro-1,1,2-trichloropropene",
      "cmpd_mwt": "199.39",
      "cmpd_formula": "C3F3Cl3",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "ClC(=C(Cl)Cl)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C3Cl3F3/c4-1(2(5)6)3(7,8)9",
      "cmpd_inchikey": "QSSVZVNYQIGOJR-UHFFFAOYSA-N",
      "OH_k298": "9.32e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,4,4,4-hexafluoro-2,3-dichloro-2-butene (unspecified cis/trans)",
      "cmpd_mwt": "232.94",
      "cmpd_formula": "C4F6Cl2",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "ClC(=C(C(F)(F)F)Cl)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C4Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12",
      "cmpd_inchikey": "XDIDQEGAKCWQQP-UHFFFAOYSA-N",
      "OH_k298": "2.14e-13",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-hydroxybutanal",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "OCCCC=O",
      "cmpd_inchi": "InChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2",
      "cmpd_inchikey": "PIAOXUVIBAKVSP-UHFFFAOYSA-N",
      "OH_k298": "3e-11",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,3,3,3-hexafluoro-2-ethoxypropane",
      "cmpd_mwt": "196.09",
      "cmpd_formula": "C5H6OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCOC(C(F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C5H6F6O/c1-2-12-3(4(6,7)8)5(9,10)11/h3H,2H2,1H3",
      "cmpd_inchikey": "JYFWUMLHFWQKFF-UHFFFAOYSA-N",
      "OH_k298": "1.08e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "1.86e-12",
      "OH_B": "162",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,3,3,3-hexafluoro-2-n-propoxypropane",
      "cmpd_mwt": "210.12",
      "cmpd_formula": "C6H8OF6",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "CCCOC(C(F)(F)F)C(F)(F)F",
      "cmpd_inchi": "InChI=1S/C6H8F6O/c1-2-3-13-4(5(7,8)9)6(10,11)12/h4H,2-3H2,1H3",
      "cmpd_inchikey": "QBQYFAFJEXKGLJ-UHFFFAOYSA-N",
      "OH_k298": "2.01e-12",
      "OH_uncert": "0.25",
      "OH_u_fac": "",
      "OH_A": "3.11e-12",
      "OH_B": "141",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "thiophene",
      "cmpd_mwt": "84.14",
      "cmpd_formula": "C4H4S",
      "cmpd_type": "sulfide",
      "cmpd_smiles": "c1cccs1",
      "cmpd_inchi": "InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4H",
      "cmpd_inchikey": "YTPLMLYBLZKORZ-UHFFFAOYSA-N",
      "OH_k298": "9.87e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "2.81e-12",
      "OH_B": "-374.937972253322",
      "OH_n": "",
      "OH_t_low": "270",
      "OH_t_high": "330",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "3.93e-14",
      "NO3_uncert": "0.35",
      "NO3_u_fac": "",
      "NO3_A": "3.93e-14",
      "NO3_B": "0",
      "NO3_n": "",
      "NO3_t_low": "272",
      "NO3_t_high": "296",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-3-pentanone",
      "cmpd_mwt": "316.04",
      "cmpd_formula": "C6OF12",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "O=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C6F12O/c7-2(4(10,11)12,5(13,14)15)1(19)3(8,9)6(16,17)18",
      "cmpd_inchikey": "RMLFHPWPTXWZNJ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "C8F17CH2CH2OH",
      "cmpd_mwt": "428.14",
      "cmpd_formula": "C10H7OF15",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F",
      "cmpd_inchi": "InChI=1S/C10H7F15O/c11-4(12,1-2-26)3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h26H,1-3H2",
      "cmpd_inchikey": "SLWBEAPUHPGZGR-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(E)-2-penten-1-ol",
      "cmpd_mwt": "86.13",
      "cmpd_formula": "C5H10O",
      "cmpd_type": "unsaturated alcohol",
      "cmpd_smiles": "CC/C=C/CO",
      "cmpd_inchi": "InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3+",
      "cmpd_inchikey": "BTSIZIIPFNVMHF-ONEGZZNKSA-N",
      "OH_k298": "6.76e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "6.8e-12",
      "OH_B": "-680",
      "OH_n": "",
      "OH_t_low": "243",
      "OH_t_high": "374",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-chloro-1-butene",
      "cmpd_mwt": "90.55",
      "cmpd_formula": "C4H7Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "CCC=CCl",
      "cmpd_inchi": "InChI=1S/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3",
      "cmpd_inchikey": "DUDKKPVINWLFBI-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "1.2e-14",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethyl propyl ether",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C5H12O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCOCCC",
      "cmpd_inchi": "InChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3",
      "cmpd_inchikey": "NVJUHMXYKCUMQA-UHFFFAOYSA-N",
      "OH_k298": "1.12e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "(1E)-1-methoxy-2-methylpent-1-en-3-one",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C7H12O2",
      "cmpd_type": "unsaturated non-aromatic oxygenate",
      "cmpd_smiles": "CO/C=C(/C(=O)CC)\\C",
      "cmpd_inchi": "InChI=1S/C7H12O2/c1-4-7(8)6(2)5-9-3/h5H,4H2,1-3H3/b6-5+",
      "cmpd_inchikey": "AIFFWMXMBCHYFL-AATRIKPKSA-N",
      "OH_k298": "3.03e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dodecamethyltetrasiloxane",
      "cmpd_mwt": "384.84",
      "cmpd_formula": "C12H36O4Si5",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si](O[Si](O[Si](C)(C)C)(C)C)(O[Si](O[Si](C)(C)C)(C)C)C",
      "cmpd_inchi": "InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3",
      "cmpd_inchikey": "FBZANXDWQAVSTQ-UHFFFAOYSA-N",
      "OH_k298": "3.49e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.94e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trans-2-methyl-2-butenal",
      "cmpd_mwt": "84.12",
      "cmpd_formula": "C5H8O",
      "cmpd_type": "unsaturated aldehyde",
      "cmpd_smiles": "C/C=C(\\C=O)/C",
      "cmpd_inchi": "InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-",
      "cmpd_inchikey": "ACWQBUSCFPJUPN-HYXAFXHYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.48e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methyl isocyanide",
      "cmpd_mwt": "41.05",
      "cmpd_formula": "C2H3N",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "[C-]#[N+]C",
      "cmpd_inchi": "InChI=1S/C2H3N/c1-3-2/h1H3",
      "cmpd_inchikey": "ZRKSVHFXTRFQFL-UHFFFAOYSA-N",
      "OH_k298": "8e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diazomethane",
      "cmpd_mwt": "42.04",
      "cmpd_formula": "CH2N2",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "[N-]=[N+]=C",
      "cmpd_inchi": "InChI=1S/CH2N2/c1-3-2/h1H2",
      "cmpd_inchikey": "YXHKONLOYHBTNS-UHFFFAOYSA-N",
      "OH_k298": "1.65e-10",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "methane sulphonamide",
      "cmpd_mwt": "95.12",
      "cmpd_formula": "CH5NO2S",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "CS(=O)(=O)N",
      "cmpd_inchi": "InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)",
      "cmpd_inchikey": "HNQIVZYLYMDVSB-UHFFFAOYSA-N",
      "OH_k298": "1.41e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "Bromine",
      "cmpd_mwt": "159.81",
      "cmpd_formula": "Br2",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "BrBr",
      "cmpd_inchi": "InChI=1S/Br2/c1-2",
      "cmpd_inchikey": "GDTBXPJZTBHREO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methylcyclohexanol",
      "cmpd_mwt": "114.19",
      "cmpd_formula": "C7H14O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CC1CCC(CC1)O",
      "cmpd_inchi": "InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3",
      "cmpd_inchikey": "MQWCXKGKQLNYQG-UHFFFAOYSA-N",
      "OH_k298": "1.79e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "2.4e-15",
      "NO3_uncert": "0.3",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.48e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "dodecamethylcyclohexasiloxane",
      "cmpd_mwt": "444.92",
      "cmpd_formula": "C12H36O6Si6",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](O[Si](O1)(C)C)(C)C",
      "cmpd_inchi": "InChI=1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3",
      "cmpd_inchikey": "IUMSDRXLFWAGNT-UHFFFAOYSA-N",
      "OH_k298": "2.33e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,1,2,2,3,3-hexafluorocyclopentane",
      "cmpd_mwt": "178.08",
      "cmpd_formula": "C5H4F6",
      "cmpd_type": "haloalkane (multiple)",
      "cmpd_smiles": "FC1(F)C(F)(F)CCC1(F)F",
      "cmpd_inchi": "InChI=1S/C5H4F6/c6-3(7)1-2-4(8,9)5(3,10)11/h1-2H2",
      "cmpd_inchikey": "MITPAYPSRYWXNR-UHFFFAOYSA-N",
      "OH_k298": "3.05e-14",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "9.41e-13",
      "OH_B": "1022",
      "OH_n": "",
      "OH_t_low": "253",
      "OH_t_high": "328",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "pentafluorophenol",
      "cmpd_mwt": "184.06",
      "cmpd_formula": "C6HOF5",
      "cmpd_type": "aromatic halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "Fc1c(O)c(F)c(c(c1F)F)F",
      "cmpd_inchi": "InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H",
      "cmpd_inchikey": "XBNGYFFABRKICK-UHFFFAOYSA-N",
      "OH_k298": "6.46e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.65e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "chlorocyclopropane",
      "cmpd_mwt": "76.52",
      "cmpd_formula": "C3H5Cl",
      "cmpd_type": "unsaturated halogen-containing hydrocarbon (halogens separated)",
      "cmpd_smiles": "ClC1CC1",
      "cmpd_inchi": "InChI=1S/C3H5Cl/c4-3-1-2-3/h3H,1-2H2",
      "cmpd_inchikey": "VEZNCHDBSQWUHQ-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.29e-12",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclopentadiene",
      "cmpd_mwt": "66.1",
      "cmpd_formula": "C5H6",
      "cmpd_type": "cyclic di-/polyalkene",
      "cmpd_smiles": "C1C=CC=C1",
      "cmpd_inchi": "InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2",
      "cmpd_inchikey": "ZSWFCLXCOIISFI-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1-octen-3-one",
      "cmpd_mwt": "126.2",
      "cmpd_formula": "C8H14O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CCCCCC(=O)C=C",
      "cmpd_inchi": "InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3",
      "cmpd_inchikey": "KLTVSWGXIAYTHO-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "1.09e-17",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-octen-2-one",
      "cmpd_mwt": "126.2",
      "cmpd_formula": "C8H14O",
      "cmpd_type": "unsaturated ketone",
      "cmpd_smiles": "CCCCC=CC(=O)C",
      "cmpd_inchi": "InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3",
      "cmpd_inchikey": "ZCFOBLITZWHNNC-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.48e-17",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trimethylchlorosilane",
      "cmpd_mwt": "108.64",
      "cmpd_formula": "C3H9SiCl",
      "cmpd_type": "unclassified",
      "cmpd_smiles": "C[Si](Cl)(C)C",
      "cmpd_inchi": "InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3",
      "cmpd_inchikey": "IJOOHPMOJXWVHK-UHFFFAOYSA-N",
      "OH_k298": "2.51e-13",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "7.06e-12",
      "OH_B": "992",
      "OH_n": "",
      "OH_t_low": "295",
      "OH_t_high": "375",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-nitrooxy-2-butanone",
      "cmpd_mwt": "133.1",
      "cmpd_formula": "C4H7NO4",
      "cmpd_type": "oxygenate nitrate",
      "cmpd_smiles": "CC(=O)CCO[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C4H7NO4/c1-4(6)2-3-9-5(7)8/h2-3H2,1H3",
      "cmpd_inchikey": "SQFMCLNZTZWUJY-UHFFFAOYSA-N",
      "OH_k298": "2.85e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-nitrooxy-2-pentanone",
      "cmpd_mwt": "147.13",
      "cmpd_formula": "C5H9NO4",
      "cmpd_type": "oxygenate nitrate",
      "cmpd_smiles": "CC(=O)CCCO[N+](=O)[O-]",
      "cmpd_inchi": "InChI=1S/C5H9NO4/c1-5(7)3-2-4-10-6(8)9/h2-4H2,1H3",
      "cmpd_inchikey": "SSFGUYFXTYDCAK-UHFFFAOYSA-N",
      "OH_k298": "3.25e-12",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diethyl carbonate",
      "cmpd_mwt": "118.13",
      "cmpd_formula": "C5H10O3",
      "cmpd_type": "ester",
      "cmpd_smiles": "CCOC(=O)OCC",
      "cmpd_inchi": "InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "OIFBSDVPJOWBCH-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.19e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1H-1,2,3-Triazole",
      "cmpd_mwt": "71.08",
      "cmpd_formula": "C2H5N3",
      "cmpd_type": "amine",
      "cmpd_smiles": "c1cnn[nH]1",
      "cmpd_inchi": "InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)",
      "cmpd_inchikey": "QWENRTYMTSOGBR-UHFFFAOYSA-N",
      "OH_k298": "2.11e-11",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "3.08e-12",
      "OH_B": "-573.941298538519",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "357",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "pyrazole",
      "cmpd_mwt": "69.09",
      "cmpd_formula": "C3H5N2",
      "cmpd_type": "amine",
      "cmpd_smiles": "c1ccn[nH]1",
      "cmpd_inchi": "InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)",
      "cmpd_inchikey": "WTKZEGDFNFYCGP-UHFFFAOYSA-N",
      "OH_k298": "2.84e-11",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "9.58e-12",
      "OH_B": "-323.758327696924",
      "OH_n": "",
      "OH_t_low": "298",
      "OH_t_high": "357",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dichloroethanol",
      "cmpd_mwt": "114.96",
      "cmpd_formula": "C2H4OCl2",
      "cmpd_type": "saturated halogen-containing oxygenate (multiple halogens)",
      "cmpd_smiles": "OCC(Cl)Cl",
      "cmpd_inchi": "InChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2",
      "cmpd_inchikey": "IDJOCJAIQSKSOP-UHFFFAOYSA-N",
      "OH_k298": "5.3e-13",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.98e-12",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-methyl-2-hexanol",
      "cmpd_mwt": "116.2",
      "cmpd_formula": "C7H16O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CC(CCC(O)C)C",
      "cmpd_inchi": "InChI=1S/C7H16O/c1-6(2)4-5-7(3)8/h6-8H,4-5H2,1-3H3",
      "cmpd_inchikey": "ZDVJGWXFXGJSIU-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.48e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,2-dimethyl-3-hexanol",
      "cmpd_mwt": "130.23",
      "cmpd_formula": "C8H18O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "CCCC(C(C)(C)C)O",
      "cmpd_inchi": "InChI=1S/C8H18O/c1-5-6-7(9)8(2,3)4/h7,9H,5-6H2,1-4H3",
      "cmpd_inchikey": "PFHLGQKVKALLMD-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.55e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2,4,4-trimethyl-1-pentanol",
      "cmpd_mwt": "130.23",
      "cmpd_formula": "C8H18O",
      "cmpd_type": "alcohol or glycol",
      "cmpd_smiles": "OCC(CC(C)(C)C)C",
      "cmpd_inchi": "InChI=1S/C8H18O/c1-7(6-9)5-8(2,3)4/h7,9H,5-6H2,1-4H3",
      "cmpd_inchikey": "ZNRVRWHPZZOTIE-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.35e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1,3-dioxolane",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "CC1OCCO1",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3",
      "cmpd_inchikey": "HTWIZMNMTWYQRN-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "ethoxyacetaldehyde",
      "cmpd_mwt": "88.11",
      "cmpd_formula": "C4H8O2",
      "cmpd_type": "saturated mixed oxygenate",
      "cmpd_smiles": "CCOCC=O",
      "cmpd_inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3",
      "cmpd_inchikey": "IAHZBRPNDIVNNR-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclobutanol",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "ether",
      "cmpd_smiles": "OC1CCC1",
      "cmpd_inchi": "InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2",
      "cmpd_inchikey": "KTHXBEHDVMTNOH-UHFFFAOYSA-N",
      "OH_k298": "7.66e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "diethyl pyrocarbonate",
      "cmpd_mwt": "162.14",
      "cmpd_formula": "C6H10O5",
      "cmpd_type": "unsaturated ester",
      "cmpd_smiles": "CCOC(=O)OC(=O)OCC",
      "cmpd_inchi": "InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3",
      "cmpd_inchikey": "FFYPMLJYZAEMQB-UHFFFAOYSA-N",
      "OH_k298": "1.11e-12",
      "OH_uncert": "0.3",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "3.2e-12",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "3-nitrocatechol",
      "cmpd_mwt": "155.11",
      "cmpd_formula": "C6H5NO4",
      "cmpd_type": "saturated halogen-containing oxidized nitrogen compound (multiple halogens)",
      "cmpd_smiles": "[O-][N+](=O)c1cccc(c1O)O",
      "cmpd_inchi": "InChI=1S/C6H5NO4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H",
      "cmpd_inchikey": "YHKWFDPEASWKFQ-UHFFFAOYSA-N",
      "OH_k298": "3.46e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-nitrocatechol",
      "cmpd_mwt": "155.11",
      "cmpd_formula": "C6H5NO4",
      "cmpd_type": "saturated halogen-containing oxidized nitrogen compound (multiple halogens)",
      "cmpd_smiles": "[O-][N+](=O)c1ccc(c(c1)O)O",
      "cmpd_inchi": "InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H",
      "cmpd_inchikey": "XJNPNXSISMKQEX-UHFFFAOYSA-N",
      "OH_k298": "1.27e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "5-methyl-3-nitrocatechol",
      "cmpd_mwt": "169.13",
      "cmpd_formula": "C7H7NO4",
      "cmpd_type": "saturated halogen-containing oxidized nitrogen compound (multiple halogens)",
      "cmpd_smiles": "Cc1cc(O)c(c(c1)[N+](=O)[O-])O",
      "cmpd_inchi": "InChI=1S/C7H7NO4/c1-4-2-5(8(11)12)7(10)6(9)3-4/h2-3,9-10H,1H3",
      "cmpd_inchikey": "MQGZDMVKFBSAQP-UHFFFAOYSA-N",
      "OH_k298": "5.66e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methyl-5-nitrocatechol",
      "cmpd_mwt": "169.13",
      "cmpd_formula": "C7H7NO4",
      "cmpd_type": "saturated halogen-containing oxidized nitrogen compound (multiple halogens)",
      "cmpd_smiles": "[O-][N+](=O)c1cc(O)c(cc1C)O",
      "cmpd_inchi": "InChI=1S/C7H7NO4/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3,9-10H,1H3",
      "cmpd_inchikey": "WLLRAKCRHPMKNA-UHFFFAOYSA-N",
      "OH_k298": "9.28e-13",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-methyl-1,3-propanediamine",
      "cmpd_mwt": "88.15",
      "cmpd_formula": "C4H12N2",
      "cmpd_type": "aromatic halogen-containing oxidized nitrogen compound (multiple halogens)",
      "cmpd_smiles": "CNCCCN",
      "cmpd_inchi": "InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3",
      "cmpd_inchikey": "QHJABUZHRJTCAR-UHFFFAOYSA-N",
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      "Cl_t_low": "",
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    },
    {
      "cmpd_name": "n-heptylcyclohexane",
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      "cmpd_type": "cyclic alkane",
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      "cmpd_inchikey": "MSTLSCNJAHAQNU-UHFFFAOYSA-N",
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      "Cl_k298": "5.74e-10",
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      "Cl_t_high": ""
    },
    {
      "cmpd_name": "n-octylcyclohexane",
      "cmpd_mwt": "196.37",
      "cmpd_formula": "C14H28",
      "cmpd_type": "cyclic alkane",
      "cmpd_smiles": "CCCCCCCCC1CCCCC1",
      "cmpd_inchi": "InChI=1S/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3",
      "cmpd_inchikey": "FBXWCEKQCVOOLT-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
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      "OH_n": "",
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      "OH_t_high": "",
      "O3_k298": "",
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      "NO3_k298": "",
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      "NO3_A": "",
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      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "5.92e-10",
      "Cl_uncert": "0.3",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "cyclohexene oxide",
      "cmpd_mwt": "98.14",
      "cmpd_formula": "C6H10O",
      "cmpd_type": "ether",
      "cmpd_smiles": "C1CCC2C(C1)O2",
      "cmpd_inchi": "InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2",
      "cmpd_inchikey": "ZWAJLVLEBYIOTI-UHFFFAOYSA-N",
      "OH_k298": "6.21e-12",
      "OH_uncert": "0.15",
      "OH_u_fac": "",
      "OH_A": "6.72e-14",
      "OH_B": "-1349",
      "OH_n": "3.4",
      "OH_t_low": "251",
      "OH_t_high": "373",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "2.28e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "gamma-caprolactone",
      "cmpd_mwt": "114.14",
      "cmpd_formula": "C6H10O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCC1CCC(=O)O1",
      "cmpd_inchi": "InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3",
      "cmpd_inchikey": "JBFHTYHTHYHCDJ-UHFFFAOYSA-N",
      "OH_k298": "6.06e-12",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.29e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "gamma-heptalactone",
      "cmpd_mwt": "128.17",
      "cmpd_formula": "C7H12O2",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCCC1CCC(=O)O1",
      "cmpd_inchi": "InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3",
      "cmpd_inchikey": "VLSVVMPLPMNWBH-UHFFFAOYSA-N",
      "OH_k298": "8.22e-12",
      "OH_uncert": "0.4",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
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      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.69e-10",
      "Cl_uncert": "0.2",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "1,2-epoxyhexane",
      "cmpd_mwt": "100.16",
      "cmpd_formula": "C6H12O",
      "cmpd_type": "ether",
      "cmpd_smiles": "CCCCC1CO1",
      "cmpd_inchi": "InChI=1S/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3",
      "cmpd_inchikey": "WHNBDXQTMPYBAT-UHFFFAOYSA-N",
      "OH_k298": "5.76e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "1.64e-10",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "trans-2,3-epoxybutane",
      "cmpd_mwt": "72.11",
      "cmpd_formula": "C4H8O",
      "cmpd_type": "ether",
      "cmpd_smiles": "C[C@H]1O[C@@H]1C",
      "cmpd_inchi": "InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4-/m1/s1",
      "cmpd_inchikey": "PQXKWPLDPFFDJP-QWWZWVQMSA-N",
      "OH_k298": "1.87e-12",
      "OH_uncert": "0.2",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "",
      "O3_uncert": "",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "6.69e-11",
      "Cl_uncert": "0.15",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "2-methyl-1-nitroprop-1-ene",
      "cmpd_mwt": "101.1",
      "cmpd_formula": "C4H7NO2",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "CC(=C[N+](=O)[O-])C",
      "cmpd_inchi": "InChI=1S/C4H7NO2/c1-4(2)3-5(6)7/h3H,1-2H3",
      "cmpd_inchikey": "VXMMUDFDTWWSQT-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "3.5e-20",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    },
    {
      "cmpd_name": "4-methyl-4-nitro-1-pentene",
      "cmpd_mwt": "129.16",
      "cmpd_formula": "C6H11NO2",
      "cmpd_type": "aromatic halogen-containing hydrocarbon (multiple halogens)",
      "cmpd_smiles": "C=CCC([N+](=O)[O-])(C)C",
      "cmpd_inchi": "InChI=1S/C6H11NO2/c1-4-5-6(2,3)7(8)9/h4H,1,5H2,2-3H3",
      "cmpd_inchikey": "SFRYSSACJAJJJI-UHFFFAOYSA-N",
      "OH_k298": "",
      "OH_uncert": "",
      "OH_u_fac": "",
      "OH_A": "",
      "OH_B": "",
      "OH_n": "",
      "OH_t_low": "",
      "OH_t_high": "",
      "O3_k298": "6.8e-19",
      "O3_uncert": "0.4",
      "O3_u_fac": "",
      "O3_A": "",
      "O3_B": "",
      "O3_n": "",
      "O3_t_low": "",
      "O3_t_high": "",
      "NO3_k298": "",
      "NO3_uncert": "",
      "NO3_u_fac": "",
      "NO3_A": "",
      "NO3_B": "",
      "NO3_n": "",
      "NO3_t_low": "",
      "NO3_t_high": "",
      "Cl_k298": "",
      "Cl_uncert": "",
      "Cl_u_fac": "",
      "Cl_A": "",
      "Cl_B": "",
      "Cl_n": "",
      "Cl_t_low": "",
      "Cl_t_high": ""
    }
  ],
  "meta": {
    "title": "Atmospheric Chemical Reaction Rates - Free Download",
    "description": "Reaction rate data for 1,683 organic compounds in gas-phase atmospheric reactions, with compound name, molecular weight, formula, and reaction constants. Contains 1683 records. Download in Excel, CSV, PDF formats.",
    "seo_title": "Atmospheric Chemical Reaction Rates | ListBase",
    "seo_description": "Download Atmospheric Chemical Reaction Rates — 1683 records. Available in Excel, CSV, PDF formats.",
    "key_takeaways": [
      "Contains 1683 records / 39 fields",
      "Available for free download in Excel, CSV, and PDF formats",
      "Data sourced from: https://github.com/vincentarelbundock/Rdatasets"
    ]
  }
}