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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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396142 135027533 1 OF3H11C21 AB3C11D21 -79.63 1.15 -9.24 -1.48 0
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396143 135027534 1 SH16C24 AB16C24 108.41 0.53 -8.71 -0.69 0
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396144 135027535 1 NH17C25 AB17C25 113.01 2.7 -8.86 -0.75 0
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396145 135027536 1 NOPdH13C18 ABCD13E18 126.58 2.63 -7.11 -0.14 0
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396146 135027537 1 BrNO3C24H30 ABC3D24E30 -125.2 6.83 -9.5 -0.32 0
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396147 135027538 1 ClNO3C24H24 ABC3D24E24 -101.34 1.21 -9.58 -0.38 0
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396148 135027539 1 NCl2O3H23C24 AB2C3D23E24 -106.92 1.91 -9.59 -0.65 0
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396149 135027541 1 NSO3C22H23 ABC3D22E23 -86.73 2.15 -9.3 -0.41 0
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396150 135027542 1 O3H14C22 A3B14C22 -12.39 4.33 -9.04 -1.1 0
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396151 135027543 1 O2H18C21 A2B18C21 -5.23 2.77 -9.13 -0.81 0
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396152 135027544 2 NC13H14 AB13C14 41.37 2.5 -8.05 -0.24 0
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396153 135027546 1 ON7C13H15 AB7C13D15 113.57 6.07 -9.18 -0.76 0
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396154 135027547 1 SiO4C24H40 AB4C24D40 -223.35 2.98 -8.63 0.23 0
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396155 135027548 1 SSiO4C30H44 ABC4D30E44 -192.08 5.83 -8.41 -0.01 0
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396156 135027550 1 SiO6C28H48 AB6C28D48 -323.49 2.92 -8.61 0.23 0
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396157 135027551 1 BrSiO6C29H47 ABC6D29E47 -291.07 2.8 -8.68 -0.83 0
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396158 135027552 1 BrN2O3H11C16 AB2C3D11E16 -35.65 2.51 -9.66 -1.51 0
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396159 135027553 2 NO3H7C9 AB3C7D9 -159.6 6.74 -9.62 -1.56 0
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396160 135027554 1 N2O5H16C25 A2B5C16D25 -60.0 4.56 -9.22 -1.25 0
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396161 135027555 1 N2O3H16C18 A2B3C16D18 -57.9 3.26 -9.19 -1.39 -1
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396164 135027558 2 N2C5H9 A2B5C9 40.29 7.29 -10.49 0.11 0
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396165 135027559 1 NO2C9H15 AB2C9D15 -74.2 3.66 -9.88 0.5 0
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396166 135027561 1 O2N3H21C25 A2B3C21D25 4.67 5.32 -8.36 -0.29 0
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396167 135027562 3 O2C3H4 A2B3C4 -259.04 4.22 -10.66 -0.15 0
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396168 135027563 1 SN3O6C21H27 AB3C6D21E27 -209.19 7.79 -9.69 -0.35 0
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396169 135027564 1 N4O6C19H24 A4B6C19D24 -196.71 6.03 -10.0 -0.4 0
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396170 135027566 1 BrC3H7 AB3C7 -21.88 2.62 -10.37 0.05 0
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396171 135027568 1 ClFSO3H16C21 ABCD3E16F21 -103.14 3.36 -8.48 -0.72 0
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396172 135027569 1 FNO3C36H70 ABC3D36E70 -323.21 4.06 -9.99 0.52 0
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396175 135027573 1 SiO3C19H30 AB3C19D30 -166.76 1.78 -8.79 0.21 0
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396176 135027585 1 SO4H18C19 AB4C18D19 -96.36 6.06 -9.43 -0.94 0
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396177 135027601 1 N2O3C27H28 A2B3C27D28 -36.19 4.37 -8.51 -0.19 0
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396178 135027616 1 Br2O2H10C17 A2B2C10D17 4.63 2.08 -9.13 -0.92 0
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396179 135027619 1 ClN2O4C19H19 AB2C4D19E19 -62.91 3.59 -9.61 -0.69 1
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396180 135027626 1 PCl2N3H17C22 AB2C3D17E22 98.71 12.31 0.0 0.0 0
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396181 135027635 1 NC11H15 AB11C15 27.04 2.61 -9.66 -0.03 0
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396182 135027645 4 OH3C4 AB3C4 -79.61 3.71 -9.44 -0.85 0
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396183 135027650 1 BrN3O4H30C31 AB3C4D30E31 -26.99 4.81 -8.86 -1.02 0
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396184 135027653 1 BrOH17C20 ABC17D20 38.7 2.14 -8.92 -0.56 0
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396185 135027656 1 ClO4C25H31 AB4C25D31 -173.82 3.01 -8.43 -0.61 0
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396186 135027660 1 NO4C22H27 AB4C22D27 -110.33 1.3 -9.49 -0.1 0
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396187 135027666 1 NO5C19H25 AB5C19D25 -225.82 0.44 -9.71 0.05 0
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396188 135027668 1 NO4C20H27 AB4C20D27 -186.68 2.97 -9.68 0.08 0
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396189 135027670 1 ClNO4C19H24 ABC4D19E24 -192.99 3.34 -9.56 -0.3 0
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396190 135027687 1 FN2O4C27H27 AB2C4D27E27 -77.71 6.97 -9.73 -0.6 0
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396191 135027689 2 NO2C14H15 AB2C14D15 -39.14 5.34 -9.35 -0.29 0
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396192 135027691 1 ClN2O4C27H27 AB2C4D27E27 -38.45 6.34 -9.62 -0.42 0
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396193 135027692 1 N2O4H30C31 A2B4C30D31 -12.65 4.23 -8.98 -0.6 0
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396194 135027694 1 N2O5C25H26 A2B5C25D26 -62.74 4.38 -9.52 -0.44 0
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396195 135027695 1 NOI2H21C24 ABC2D21E24 76.77 5.11 -9.35 -1.16 0