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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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431137 135171207 1 FON4C23H27 ABC4D23E27 -28.08 6.51 -9.05 -0.39 0
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431138 135171208 1 FON4C23H27 ABC4D23E27 -31.11 3.37 -8.95 -0.65 0
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431139 135171209 1 N3C38H49 A3B38C49 35.98 4.9 -7.95 0.04 0
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431140 135171210 1 SF3O3N5H18C21 AB3C3D5E18F21 -146.93 4.08 -9.4 -1.74 0
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431141 135171211 1 ON3C26H31 AB3C26D31 5.63 5.07 -8.69 -0.17 0
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431142 135171212 1 NS2O6C15H21 AB2C6D15E21 -258.79 6.94 -9.53 -0.44 0
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431143 135171213 1 SN3O3C23H31 AB3C3D23E31 -102.6 5.89 -9.09 -0.07 0
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431144 135171214 1 ClON5C22H26 ABC5D22E26 28.02 6.11 -8.57 -0.73 0
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431145 135171215 1 ON4C25H32 AB4C25D32 3.23 3.03 -9.05 -0.68 0
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431146 135171216 1 ON5C25H29 AB5C25D29 40.46 2.61 -8.13 -0.66 0
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431147 135171217 1 ClO2N6C37H41 AB2C6D37E41 -4.8 7.25 -8.44 -0.65 0
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431148 135171218 1 ClON5C22H24 ABC5D22E24 39.55 2.94 -8.76 -1.08 0
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431149 135171219 1 O2N5C26H27 A2B5C26D27 34.44 8.83 -9.26 -0.88 0
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431150 135171220 1 O2N5C26H27 A2B5C26D27 33.11 4.9 -8.99 -1.26 0
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431151 135171221 1 O2N7C26H29 A2B7C26D29 111.38 8.31 -8.65 -0.69 0
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431152 135171222 1 F3N3O3C22H28 A3B3C3D22E28 -294.63 3.75 -8.93 -0.53 0
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431153 135171223 1 OF3N3C17H20 AB3C3D17E20 -177.77 2.44 -8.91 -0.64 0
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431154 135171224 1 SF3O3N6H17C20 AB3C3D6E17F20 -132.13 4.68 -9.58 -1.88 0
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431155 135171225 1 ClSF3N3O3H15C18 ABC3D3E3F15G18 -198.86 5.14 -9.39 -1.55 0
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431156 135171226 1 FON4C23H25 ABC4D23E25 -13.17 3.02 -8.58 -0.72 0
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431157 135171227 1 SO2N3C23H27 AB2C3D23E27 -7.1 3.62 -8.6 -0.64 0
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431158 135171228 1 PSO2N5C21H24 ABC2D5E21F24 -35.58 5.75 -8.2 -0.78 0
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431159 135171229 1 O2N3C23H33 A2B3C23D33 -71.34 2.2 -8.71 -0.28 0
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431160 135171230 1 BrN2O2H5C6 AB2C2D5E6 -41.37 5.19 -10.74 -1.86 0
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431161 135171231 1 OF2N3C23H29 AB2C3D23E29 -105.5 0.76 -8.73 -0.11 0
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431162 135171232 2 NOC8H10 ABC8D10 -57.82 2.65 -8.71 -0.4 0
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431163 135171233 1 O2N5C21H27 A2B5C21D27 6.84 3.27 -9.18 -0.73 1
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431164 135171234 1 NS2O6C18H32 AB2C6D18E32 -189.7 7.14 0.0 0.0 0
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431165 135171235 2 ON3C12H14 AB3C12D14 60.6 3.68 -9.49 -1.27 0
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431166 135171236 2 ON3C12H14 AB3C12D14 59.22 4.94 -9.18 -1.27 0
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431167 135171237 1 OF3N3C17H20 AB3C3D17E20 -170.74 3.93 -8.99 -0.79 0
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431168 135171238 1 N2S2O7C20H34 A2B2C7D20E34 -329.46 5.48 -9.24 -0.53 0
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431169 135171239 1 O2N5C21H27 A2B5C21D27 6.89 4.65 -9.0 -0.39 0
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431170 135171240 1 O2F3N3C23H24 A2B3C3D23E24 -179.9 3.02 -8.91 -0.56 0
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431171 135171241 1 SO2N6C24H28 AB2C6D24E28 -3.68 8.29 -8.07 -1.06 0
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431172 135171242 1 OF3N3C24H26 AB3C3D24E26 -146.05 6.39 -8.72 -0.24 0
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431173 135171243 1 O2F3N3C23H24 A2B3C3D23E24 -175.67 5.12 -8.83 -0.43 0
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431174 135171244 1 PSO3N4H17C18 ABC3D4E17F18 -61.28 4.86 -8.44 -0.85 0
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431175 135171245 2 ON2C13H17 AB2C13D17 -34.82 3.63 -8.57 -0.52 0
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431176 135171246 2 ON2C13H17 AB2C13D17 -36.63 1.76 -8.6 -0.72 0
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431177 135171247 1 ClO4N5C33H38 AB4C5D33E38 -74.73 5.08 -8.97 -0.91 0
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431178 135171248 1 ClO3N7C35H36 AB3C7D35E36 -21.47 9.45 -8.67 -0.96 0
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431179 135171249 1 FN4C30H37 AB4C30D37 29.06 2.94 -8.04 -0.4 0
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431180 135171250 1 ClN4O4C17H19 AB4C4D17E19 -99.82 5.53 -8.77 -1.48 0
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431181 135171251 1 IN2C15H23 AB2C15D23 14.42 3.06 -8.79 -0.78 0
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431182 135171252 1 ON4C24H30 AB4C24D30 1.46 5.99 -8.52 -0.3 0
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431183 135171253 1 O3N4C28H36 A3B4C28D36 -95.49 1.85 -9.22 -0.65 0
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431184 135171254 1 IN2C17H17 AB2C17D17 73.13 3.7 -8.22 -1.11 0
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431185 135171255 1 ClN5O5C39H42 AB5C5D39E42 -106.71 4.71 -8.58 -1.04 0
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431186 135171256 1 ON6C20H26 AB6C20D26 26.38 4.59 -9.23 -0.79 0
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431187 135171257 1 O2N4C25H28 A2B4C25D28 0.4 3.38 -9.01 -0.68 0
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431188 135171258 1 ClO2N3H18C21 AB2C3D18E21 3.53 2.56 -8.17 -1.6 0
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431189 135171259 1 ON5C22H27 AB5C22D27 28.29 4.48 -8.81 -0.55 0
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431190 135171260 1 O2N4C25H28 A2B4C25D28 3.02 2.61 -8.72 -0.78 0
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431191 135171261 1 NO2C14H19 AB2C14D19 -81.37 2.7 -9.15 0.35 0
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431192 135171262 1 O2N5C22H27 A2B5C22D27 -27.27 9.15 -9.06 -0.45 0
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431193 135171263 1 ON5C25H29 AB5C25D29 43.04 5.91 -8.57 -0.48 0
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431194 135171264 1 ClO3N5C35H38 AB3C5D35E38 -49.45 7.64 -8.45 -0.77 0
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431195 135171265 1 SO2N6C24H28 AB2C6D24E28 -8.5 12.54 -8.01 -0.98 0
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431196 135171266 1 OC28H50 AB28C50 -125.22 2.16 -8.7 0.44 0
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431197 135171267 1 PSO2N5C20H22 ABC2D5E20F22 -30.85 6.63 -8.29 -0.76 0
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431198 135171268 1 N2F3C8H15 A2B3C8D15 -180.14 4.16 -9.41 1.51 0
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431199 135171269 1 O2N3C24H29 A2B3C24D29 -38.26 2.83 -8.71 -0.51 0
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431200 135171270 1 S2F3N4O5H17C20 A2B3C4D5E17F20 -256.06 4.84 -8.14 -1.76 0
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431201 135171271 1 OSF4N4C16H18 ABC4D4E16F18 -197.38 4.17 -8.3 -1.28 0
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431202 135171272 1 O2N6C27H28 A2B6C27D28 36.06 8.54 -9.17 -1.03 0
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431203 135171273 4 NOC6H7 ABC6D7 -23.92 5.89 -8.45 -0.83 0
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431204 135171274 1 SO4N13H49C53 AB4C13D49E53 148.64 6.87 -9.14 -1.08 0
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431205 135171275 1 N3C5H7 A3B5C7 52.2 7.77 -9.3 -0.36 0
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431206 135171276 1 N3C8H9 A3B8C9 59.69 2.77 -10.22 -1.24 0
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431207 135171277 1 ClO2N5C20H24 AB2C5D20E24 -16.45 2.67 -8.21 -0.71 0
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431210 135171280 1 O2N5C21H27 A2B5C21D27 8.4 2.97 -9.22 -0.72 0
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431211 135171281 1 ClFO2N5C19H21 ABC2D5E19F21 -44.84 4.61 -8.57 -0.83 0
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431212 135171282 1 O2N3C26H29 A2B3C26D29 -13.4 1.88 -8.88 -0.55 0
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431213 135171283 1 O2N5C21H27 A2B5C21D27 11.05 4.19 -9.28 -0.84 0