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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
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396196 135027697 1 ClSN2H15C18 ABC2D15E18 76.49 2.67 -9.06 -0.85 0
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396197 135027698 1 ON4C20H20 AB4C20D20 82.06 4.27 -8.5 -0.07 0
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396198 135027699 1 ON4C18H18 AB4C18D18 85.33 6.23 -8.53 -0.12 0
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396199 135027708 1 N2O4C21H30 A2B4C21D30 -173.12 4.24 -8.66 0.56 0
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396201 135027710 1 NH35C44 AB35C44 141.5 3.19 -7.92 -0.74 0
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396202 135027712 1 PSN3O3C20H20 ABC3D3E20F20 -60.99 5.95 -9.09 -1.21 0
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396203 135027713 1 FNO3C17H20 ABC3D17E20 -120.96 3.19 -9.48 0.13 0
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396204 135027715 1 NO6C27H51 AB6C27D51 -372.2 2.09 -9.56 0.0 0
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396205 135027717 1 O6H16C17 A6B16C17 -213.22 2.02 -9.39 -0.58 0
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396206 135027718 2 NC11H13 AB11C13 36.74 3.13 -8.03 0.48 0
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396207 135027720 1 NO3H25C28 AB3C25D28 -1.66 2.58 -8.35 -0.47 0
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396208 135027722 1 NO8C21H29 AB8C21D29 -329.14 5.94 -9.54 0.12 0
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396209 135027723 2 NO4C14H16 AB4C14D16 -258.78 5.62 -9.52 0.04 0
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396210 135027724 1 N3O8C37H41 A3B8C37D41 -223.55 3.22 -9.55 -0.21 0
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396211 135027725 1 N2O7C28H30 A2B7C28D30 -166.57 5.39 -9.46 -0.11 0
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396212 135027726 1 BrNO3C24H24 ABC3D24E24 -88.57 3.77 -9.57 -0.4 0
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396213 135027727 1 SO8H34C38 AB8C34D38 -188.79 12.86 -8.68 -0.8 0
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396214 135027729 1 NSiO4C30H43 ABC4D30E43 -213.23 7.39 -8.79 0.33 0
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396215 135027731 1 ClOC14H17 ABC14D17 -43.79 3.73 -9.07 -0.3 0
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396216 135027732 2 H11C14 A11B14 89.62 0.86 -8.6 -0.53 0
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396217 135027733 1 H20C23 A20B23 61.32 0.72 -8.57 -0.46 0
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396218 135027734 1 N2O4C27H34 A2B4C27D34 -80.16 5.51 -9.41 -0.34 0
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396219 135027735 2 NO2C12H15 AB2C12D15 -72.51 3.96 -9.51 -0.33 0
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396220 135027736 1 N2O4C19H20 A2B4C19D20 -54.2 4.98 -9.51 -0.55 0
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396221 135027737 1 FN2O4C13H15 AB2C4D13E15 -119.16 1.23 -9.88 -0.92 0
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396222 135027738 1 ClN2O4H17C18 AB2C4D17E18 -53.92 3.43 -9.71 -0.76 0
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396223 135027739 1 ClN2O4C13H15 AB2C4D13E15 -80.27 3.16 -9.8 -0.79 0
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396224 135027745 1 FN2O4C19H19 AB2C4D19E19 -95.86 3.28 -9.41 -0.88 0
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396225 135027750 1 OCl2N4H20C25 AB2C4D20E25 61.96 4.13 -8.78 -0.63 0
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396226 135027753 2 SiO3C16H28 AB3C16D28 -313.21 3.82 -8.68 0.29 0
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396228 135027769 1 PO2C12H24 AB2C12D24 -135.72 3.11 0.0 0.0 0
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396229 135027770 1 NO6C12H17 AB6C12D17 -220.53 2.14 -10.23 0.44 0
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396230 135027777 2 O3C4H6 A3B4C6 -253.82 3.87 -10.7 -0.61 0
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396231 135027802 1 N3O5C25H37 A3B5C25D37 -224.35 2.22 -7.5 -0.48 0
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396232 135027805 1 BrN2O3H11C16 AB2C3D11E16 -41.15 2.3 -9.29 -1.34 0
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396233 135027809 1 NO2F3H16C19 AB2C3D16E19 -209.85 5.39 -9.69 -1.13 0
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396234 135027811 1 NO5H27C28 AB5C27D28 -96.85 4.44 -9.58 -0.31 0
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396235 135027821 1 O3C13H16 A3B13C16 -96.41 4.61 -8.91 0.11 0
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396236 135027829 2 FOH7C8 ABC7D8 -125.8 4.73 -9.6 -1.11 0
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396238 135027832 1 NO2C15H24 AB2C15D24 -78.06 4.82 0.0 0.0 0
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396239 135027837 1 NSiO3C20H37 ABC3D20E37 -225.71 6.39 -8.62 0.83 0
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396240 135027841 1 SiO8C35H58 AB8C35D58 -426.72 3.29 -8.64 0.34 0
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396241 135027843 1 BrO4C23H23 AB4C23D23 -118.18 3.67 -9.78 -0.51 0
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396242 135027844 1 BrO4C23H23 AB4C23D23 -118.95 3.48 -9.78 -0.5 0
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396243 135027855 1 BrON3H16C21 ABC3D16E21 90.49 6.16 -9.1 -1.27 0
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396244 135027860 1 N3O3H17C22 A3B3C17D22 24.67 5.7 -8.87 -0.83 0
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396245 135027864 1 SN2O2H34C36 AB2C2D34E36 40.51 0.61 -8.29 -0.37 0
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396246 135027865 1 SN2O2H30C32 AB2C2D30E32 29.08 1.05 -8.32 -0.63 0
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396247 135027866 1 SN2H30C40 AB2C30D40 190.74 1.34 -7.88 -0.51 0
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396248 135027867 1 SN2H34C48 AB2C34D48 226.47 0.62 -8.03 -0.56 0