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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174138 75729594 1 BrN2O2C23H35 AB2C2D23E35 -112.66 5.75 -9.4 -0.1 0
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174139 75729608 1 BrN2O2C29H41 AB2C2D29E41 -109.91 1.96 -9.38 -0.36 -1
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174140 75730272 1 O2N6H13C16 A2B6C13D16 46.0 8.83 0.0 0.0 1
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174141 75730273 1 FN4O6C21H26 AB4C6D21E26 -225.92 5.76 0.0 0.0 1
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174142 75730274 1 ON3C19H32 AB3C19D32 -36.57 3.43 0.0 0.0 0
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174143 75730336 1 N2O2F3C17H23 A2B2C3D17E23 -254.32 7.21 -9.88 -0.59 0
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174144 75730354 2 NOC11H18 ABC11D18 -114.03 6.39 -9.3 0.24 0
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174145 75730355 2 NOC9H14 ABC9D14 -91.52 5.33 -9.2 0.37 0
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174146 75730356 1 N2O3C21H28 A2B3C21D28 -108.36 9.45 -8.9 -0.96 0
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174147 75730357 1 SN2O5C25H28 AB2C5D25E28 -145.65 7.63 -8.82 -0.81 0
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174148 75730432 1 SN2O6C21H24 AB2C6D21E24 -187.15 3.8 -8.79 -0.53 0
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174149 75730910 1 SN2O5C25H34 AB2C5D25E34 -208.67 5.74 -9.16 -0.43 0
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174150 75730911 1 N2O3C23H36 A2B3C23D36 -167.77 3.27 -9.42 -0.32 0
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174151 75731159 2 ClNO2C12H14 ABC2D12E14 -163.45 7.48 -8.76 -1.03 0
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174152 75731300 2 ClNO2C14H18 ABC2D14E18 -172.98 5.14 -8.96 -0.38 0
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174153 75731400 1 N2O3C24H40 A2B3C24D40 -171.83 4.17 -8.79 0.13 0
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174154 75731576 1 N2O3C25H34 A2B3C25D34 -127.05 3.82 -9.08 -0.02 0
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174155 75731999 1 SN2O4C28H32 AB2C4D28E32 -106.07 2.2 -9.1 -0.41 0
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174156 75732636 1 SN2O6C22H28 AB2C6D22E28 -215.07 5.93 -8.89 -0.54 0
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174157 75732637 2 NO2C10H15 AB2C10D15 -179.54 1.73 -9.21 -0.24 0
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174158 75732774 1 N2O3C21H34 A2B3C21D34 -157.89 5.45 -9.22 -0.15 0
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174159 75732775 1 N2O2C23H38 A2B2C23D38 -141.09 6.17 -9.29 0.03 0
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174160 75732776 1 SN2O4C27H38 AB2C4D27E38 -172.68 2.97 -9.24 -0.49 0
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174161 75732807 2 NOC11H18 ABC11D18 -122.39 5.85 -9.36 -0.19 0
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174162 75732972 3 NOC9H15 ABC9D15 -181.28 3.36 -9.36 -0.27 0
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174163 75733345 1 N2O2C29H34 A2B2C29D34 -49.92 1.08 -8.8 -0.66 0
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174164 75733346 1 N2O2C31H40 A2B2C31D40 -67.97 2.56 -8.91 -0.76 0
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174165 75733347 1 N2O2C27H32 A2B2C27D32 -49.56 3.47 -8.74 -0.58 0
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174166 75733420 1 SN3O6C23H27 AB3C6D23E27 -119.34 12.35 -9.87 -1.31 0
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174167 75733721 1 N3O3C26H37 A3B3C26D37 -112.52 0.99 -8.89 -0.45 0
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174168 75733776 1 ClN2O2C29H33 AB2C2D29E33 -16.39 5.1 -8.89 -0.51 0
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174169 75733786 1 ClN2O2F3C27H34 AB2C2D3E27F34 -253.68 4.66 -9.7 -0.73 0
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174170 75734062 1 N3O4C24H31 A3B4C24D31 -77.49 5.25 -9.48 -1.73 0
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174171 75734150 1 N2O3C23H30 A2B3C23D30 -114.33 3.56 -9.1 0.02 0
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174172 75734262 1 O2N3C29H43 A2B3C29D43 -91.63 5.82 -8.39 0.05 0
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174173 75734459 1 SN2O7C24H32 AB2C7D24E32 -288.76 9.25 -9.49 -0.7 0
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174174 75734460 1 N2O5C22H34 A2B5C22D34 -257.66 6.1 -9.33 -0.11 0
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174175 75734461 1 N2O5C24H40 A2B5C24D40 -277.97 5.92 -9.25 -0.09 0
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174176 75734817 1 N3O5C24H31 A3B5C24D31 -113.31 8.36 -9.45 -1.17 0
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174177 75734822 1 N2O3C21H32 A2B3C21D32 -126.31 5.56 -9.17 -0.18 0
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174178 75734823 1 N2O3C23H38 A2B3C23D38 -162.86 7.19 -9.16 -0.27 0
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174179 75734824 1 SN2O5C27H38 AB2C5D27E38 -200.28 6.2 -9.22 -0.34 0
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174180 75735246 1 ClN2O3C27H35 AB2C3D27E35 -120.13 7.98 -9.22 -0.32 0
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174181 75735316 1 N2O2C29H40 A2B2C29D40 -99.31 3.02 -9.09 0.27 0
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174182 75735317 1 N2O2C31H46 A2B2C31D46 -122.08 2.73 -9.19 0.3 0
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174183 75735318 1 N2O2C27H38 A2B2C27D38 -93.49 4.33 -9.24 0.2 0
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174184 75736079 1 ClN2O3C21H27 AB2C3D21E27 -110.07 2.8 -9.38 -0.71 0
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174185 75736817 1 N2O3C31H38 A2B3C31D38 -110.55 3.33 -8.99 -0.38 0
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174186 75736818 1 N2O3C27H30 A2B3C27D30 -85.52 3.37 -9.2 -0.07 0
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174187 75736851 2 NO2C15H15 AB2C15D15 -82.95 4.92 -8.56 -0.58 1