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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6098 66964 1 NC22H48 AB22C48 -64.11 0.24 0.0 0.0 1
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6099 66965 1 ON3C4H9 AB3C4D9 -32.5 4.49 -9.21 0.52 0
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6100 66966 2 NOC19H36 ABC19D36 -212.35 6.34 -9.19 0.93 0
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6101 66968 1 O3C17H34 A3B17C34 -198.66 3.01 -9.91 0.67 0
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6102 66969 1 NOC6H11 ABC6D11 -34.71 3.94 -10.2 1.13 0
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6103 67009 2 N3H5O8C13 A3B5C8D13 -19.35 3.44 -10.89 -2.7 0
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6104 67025 1 SO4H8C10 AB4C8D10 -126.24 4.83 -9.24 -1.4 0
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6105 67032 1 NS2H7O8C10 AB2C7D8E10 -202.46 5.39 -10.77 -2.55 0
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6106 67042 1 O4H8C13 A4B8C13 -104.06 8.13 -9.39 -1.51 0
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6107 67052 1 ClNO2F3H3C7 ABC2D3E3F7 -145.59 5.34 -10.82 -2.14 0
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6108 67060 1 SN2O4C10H10 AB2C4D10E10 -111.26 8.75 -9.18 -0.83 0
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6109 67072 1 S2N3O7H17C18 A2B3C7D17E18 -202.37 9.03 -8.87 -0.97 0
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6110 67073 1 N3O4C10H11 A3B4C10D11 -89.5 5.11 -9.56 -1.24 0
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6111 67075 1 N2O4C9H10 A2B4C9D10 -73.03 3.5 -8.93 -1.55 0
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6112 67077 1 ON2C12H16 AB2C12D16 -7.47 4.25 -8.6 0.23 0
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6113 67078 1 ON2C13H16 AB2C13D16 2.57 7.0 -8.8 -0.45 0
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6114 67079 1 HgO2C18H23 AB2C18D23 -65.78 0.95 0.0 0.0 0
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6115 67080 2 O2C11H15 A2B11C15 -183.18 1.99 -8.71 0.3 0
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6116 67081 1 O4C29H34 A4B29C34 -167.81 1.27 -8.82 -0.72 0
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6117 67082 8 OC3H4 AB3C4 -363.87 5.05 -8.95 -0.21 0
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6118 67083 1 O3C28H40 A3B28C40 -176.91 1.95 -8.73 0.28 0
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6119 67084 1 NO2C20H25 AB2C20D25 -68.08 1.47 -8.49 0.43 0
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6120 67085 1 IO2C20H23 AB2C20D23 -16.83 2.98 -8.86 -0.77 0
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6121 67086 1 O2C27H40 A2B27C40 -134.59 1.84 -8.39 0.51 0
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6122 67088 1 ClO2C19H25 AB2C19D25 -114.65 1.38 -8.66 0.36 0
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6123 67089 1 IO3C21H25 AB3C21D25 -69.5 0.82 -8.74 -1.02 0
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6124 67102 1 O3C19H26 A3B19C26 -155.6 2.59 -8.44 0.28 0
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6125 67104 1 N2C5H14 A2B5C14 -8.02 0.26 -8.93 2.68 0
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6126 67105 2 NC3H8 AB3C8 -15.89 2.87 -8.86 2.89 0
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6128 67108 1 N2O3C17H20 A2B3C17D20 -83.63 3.35 -7.59 -0.32 0
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6129 67109 1 N2S2O9C15H16 A2B2C9D15E16 -314.83 6.88 -9.45 -0.9 0
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6130 67110 1 ClN3O3C10H12 AB3C3D10E12 -55.77 5.09 -8.92 -0.76 0
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6131 67112 1 O4C11H14 A4B11C14 -151.92 5.41 -8.71 -0.26 0
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6132 67113 1 NOC10H13 ABC10D13 -24.06 1.66 -7.78 0.38 0
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6133 67114 1 NOC11H15 ABC11D15 -20.62 6.24 -8.45 -0.27 0
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6134 67115 1 ON2C10H14 AB2C10D14 28.95 7.89 -8.38 -0.68 0
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6135 67116 1 O3C10H12 A3B10C12 -85.84 6.72 -8.62 -0.59 0
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6136 67117 2 OC5H6 AB5C6 -78.66 1.92 -9.62 -0.5 0
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6137 67121 1 NO4C11H13 AB4C11D13 -81.37 4.79 -10.86 -1.91 0
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6138 67122 2 NO2H7C10 AB2C7D10 24.59 1.11 -9.44 -1.51 0
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6139 67149 1 NO3C8H9 AB3C8D9 -104.62 6.34 -8.94 -0.42 0
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6140 67150 2 OC5H7 AB5C7 -68.66 0.26 -8.13 0.17 0
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6141 67162 2 NC3H8 AB3C8 -8.55 0.23 -8.71 2.63 0
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6142 67175 1 BrO2C5H11 AB2C5D11 -102.43 1.71 -10.3 -0.22 0
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6143 67178 1 AsC2H5O5 AB2C5D5 -195.15 3.86 -10.93 -1.04 0
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6144 67190 2 NO2H9C18 AB2C9D18 -10.8 0.09 -9.39 -2.8 0
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6145 67195 2 NOH9C11 ABC9D11 0.33 3.14 -7.79 -1.47 0
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6146 67196 2 NSH5O5C7 ABC5D5E7 -355.87 0.22 -9.02 -2.79 0
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6147 67208 2 NO2H7C9 AB2C7D9 -121.15 0.16 -9.23 -1.86 0
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6148 67217 1 NS2O6H9C10 AB2C6D9E10 -204.26 3.47 -9.69 -1.86 0
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6149 67220 2 NaSH3O4C5 ABC3D4E5 -382.27 20.83 -8.67 -1.08 0
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6150 67223 1 NaSO3H7C10 ABC3D7E10 -120.56 6.39 -8.87 -0.48 0
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6151 67233 1 PO4H27C36 AB4C27D36 -74.93 1.94 -8.89 -0.22 0
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6152 67235 1 ON2H16C18 AB2C16D18 57.12 5.88 -8.19 -1.35 0
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6153 67258 2 OH6C7 AB6C7 -38.4 2.9 -9.42 -0.58 0
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6154 67259 1 ClON3C10H14 ABC3D10E14 19.2 4.95 -8.43 -0.72 0
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6155 67260 1 ON3C10H14 AB3C10D14 25.49 6.37 0.0 0.0 1
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6156 67261 1 N3O3C7H15 A3B3C7D15 -138.36 2.06 -9.76 0.59 0
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6157 67279 2 NNaO2H8C13 ABC2D8E13 -56.95 95.78 -6.32 -2.05 0
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6158 67309 1 ClNC9H14 ABC9D14 19.96 15.36 -7.85 -1.3 0
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6159 67313 1 ClSN2O2C7H11 ABC2D2E7F11 -93.79 5.53 -9.98 -0.78 0
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6160 67316 1 SN3O5H11C13 AB3C5D11E13 -106.35 7.46 -9.83 -1.88 0
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6161 67326 1 FNC7H8 ABC7D8 -24.66 2.55 -9.6 -0.06 0
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6162 67329 2 O3C11H21 A3B11C21 -336.65 2.04 -9.8 0.55 0
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6163 67336 1 NCl2C6H7 AB2C6D7 -18.34 4.01 -9.16 -0.26 0
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6164 67337 1 O7C44H86 A7B44C86 -473.04 0.66 -9.86 0.67 0
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6165 67340 1 ClOC6H11 ABC6D11 -77.55 3.86 -11.1 -0.23 0
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6166 67342 1 ClNC6H16 ABC6D16 -60.95 0.54 -9.36 2.07 0
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6167 67344 1 NNaSO5C14H28 ABCD5E14F28 -311.49 11.67 -9.55 0.0 0
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6168 67345 1 NSO5C14H29 ABC5D14E29 -265.41 3.59 -10.2 -1.05 0
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6169 67346 1 ClNC8H20 ABC8D20 -73.46 2.63 -9.38 1.98 0
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6170 67347 1 CHgIH3 ABCD3 17.46 1.54 -10.16 -1.25 0
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6171 67349 1 ClSiC13H13 ABC13D13 -13.39 1.87 -9.47 -0.27 0
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6172 67350 1 N2O4C13H18 A2B4C13D18 -27.38 4.46 -10.12 -1.14 0
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6173 67351 2 NO2H5C7 AB2C5D7 -107.24 2.95 -8.14 -1.6 0
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6174 67352 1 O2H18C27 A2B18C27 41.91 5.24 -8.79 -1.09 0
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6175 67354 2 NOC12H19 ABC12D19 -60.88 33.89 -6.42 -2.74 0
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6176 67357 3 OC6H6 AB6C6 -89.3 8.06 -10.0 -1.18 0
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6177 67358 1 N5O5C10H13 A5B5C10D13 -116.64 1.57 -8.99 -1.01 0
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6178 67359 1 N4O5H14C15 A4B5C14D15 -35.84 4.38 -9.2 -2.11 0
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6179 67364 1 N2C11H18 A2B11C18 4.73 2.49 -7.5 0.61 0
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6180 67367 1 N3C10H14 A3B10C14 66.89 6.39 0.0 0.0 1
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6181 67368 1 NNaSO4C21H42 ABCD4E21F42 -295.41 4.18 -9.3 0.5 0
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6182 67370 1 N2S2C17H36 A2B2C17D36 -34.65 7.37 -8.35 -0.17 0
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6183 67371 1 ClN3O5C24H32 AB3C5D24E32 -190.24 4.47 -9.1 -0.77 0
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6184 67379 1 ClO2C18H23 AB2C18D23 -115.26 2.15 -9.06 -0.14 0
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6185 67380 1 NO2C18H25 AB2C18D25 -97.87 1.6 -8.82 0.12 0
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6186 67382 1 FO2C18H23 AB2C18D23 -149.36 1.77 -9.06 0.0 0
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6187 67408 1 NaSO2N3H10C11 ABC2D3E10F11 -77.05 2.42 -7.74 0.1 0
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6188 67411 1 NNa2S2O6H7C10 AB2C2D6E7F10 -303.6 15.7 -8.58 -1.02 0
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6189 67414 1 NaN2O3C9H13 AB2C3D9E13 -192.44 8.25 -9.56 0.03 0
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6190 67416 1 SO2Cl3N3C23H30 AB2C3D3E23F30 -121.82 4.06 -7.9 -0.43 0
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6191 67424 1 N2O5C18H28 A2B5C18D28 -189.86 1.99 -8.72 -0.27 0
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6192 67425 3 NOC8H15 ABC8D15 -127.67 2.76 -8.31 0.22 0
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6193 67426 1 NO4C18H27 AB4C18D27 -141.02 5.74 -8.83 -0.13 0
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6194 67430 1 ClNC8H10 ABC8D10 7.22 2.3 -9.35 -0.07 0
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6196 67438 2 OC5H9 AB5C9 -117.15 2.3 -9.83 2.12 0
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6197 67440 2 OC6H7 AB6C7 -68.3 1.3 -8.59 0.16 0
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6198 67450 2 H6C11 A6B11 122.62 0.0 -8.68 -1.33 0
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6200 67452 1 SH12C20 AB12C20 90.71 1.03 -8.44 -1.07 0