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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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217627 85088119 1 SN2O2C22H26 AB2C2D22E26 -21.25 2.45 -8.65 0.13 0
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217628 85088120 1 O5C22H38 A5B22C38 -276.99 5.4 -9.49 0.47 0
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217629 85088127 1 Si2O3C20H38 A2B3C20D38 -203.35 2.11 -8.78 0.79 0
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217630 85088128 1 ClO4H19C22 AB4C19D22 -111.47 2.07 -8.75 -0.95 0
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217631 85088129 1 ClFSO2N4C16H16 ABCD2E4F16G16 -26.71 7.36 -8.89 -1.22 0
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217632 85088135 1 NO6C21H21 AB6C21D21 -198.65 6.05 -9.16 -1.13 0
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217633 85088139 1 NO4C23H29 AB4C23D29 -165.77 4.99 -10.13 -1.47 0
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217634 85088140 1 NO2H25C26 AB2C25D26 -2.11 4.84 -8.66 -0.82 0
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217635 85088142 1 O2N5C21H29 A2B5C21D29 -31.67 4.94 -8.82 -0.26 0
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217636 85088143 1 NOC27H29 ABC27D29 25.33 4.32 -8.79 -0.7 0
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217637 85088144 1 NSO4C20H33 ABC4D20E33 -200.44 6.94 -8.89 0.48 0
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217638 85088145 1 ClSN3O3C17H22 ABC3D3E17F22 -34.7 3.06 -8.97 -2.3 0
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217639 85088146 1 NCl2O8C13H15 AB2C8D13E15 -266.11 7.5 -10.3 -1.52 0
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217640 85088147 1 BrN3O3H10C17 AB3C3D10E17 15.07 4.02 -8.9 -1.53 0
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217641 85088149 2 O2N3C9H10 A2B3C9D10 -84.85 1.99 -9.11 -0.55 0
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217642 85088150 1 O2N4C23H24 A2B4C23D24 41.85 1.43 -8.97 -0.35 0
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217643 85088151 1 NSeSiO2C17H27 ABCD2E17F27 -137.02 4.56 -8.68 -0.45 0
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217644 85088153 2 NO2C11H14 AB2C11D14 -117.0 4.98 -8.42 -0.31 0
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217645 85088154 1 N2O2H24C25 A2B2C24D25 4.92 5.2 -8.1 -0.98 0
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217646 85088155 1 N2O2H24C25 A2B2C24D25 12.71 2.57 -8.6 -0.89 0
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217647 85088156 2 ON3C10H15 AB3C10D15 2.04 2.81 -8.58 -0.74 0
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217648 85088158 1 O5C22H40 A5B22C40 -299.33 6.86 -10.91 0.14 0
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217649 85088159 1 O3C25H36 A3B25C36 -127.51 5.65 -8.76 -0.7 0
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217650 85088160 1 O3C25H36 A3B25C36 -117.11 5.78 -8.92 -0.76 0
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217651 85088163 1 SiO2C24H36 AB2C24D36 -84.46 3.88 -8.84 -0.17 0
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217652 85088164 1 SiO3C22H44 AB3C22D44 -254.13 3.63 -9.59 0.79 0
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217653 85088166 1 Cl2O3N4C16H18 A2B3C4D16E18 58.75 35.59 -6.41 -3.07 2
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217654 85088167 1 O3N4C16H18 A3B4C16D18 -7.08 6.3 -8.24 -0.44 0
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217655 85088169 1 O3N7C18H23 A3B7C18D23 -41.35 5.14 -8.56 -0.84 0
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217656 85088171 1 NO4C23H31 AB4C23D31 -153.03 7.08 -9.06 -0.37 0
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217657 85088172 1 NO2C26H27 AB2C26D27 -6.34 2.93 -8.82 0.05 0
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217658 85088175 1 O7C21H22 A7B21C22 -205.76 5.28 -8.75 -0.42 0
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217659 85088177 1 SO3N4C19H26 AB3C4D19E26 -68.17 4.46 -8.18 -0.61 0
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217660 85088179 2 O2C12H17 A2B12C17 -170.57 4.3 -9.28 -1.53 0
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217661 85088181 1 FSiO2C23H31 ABC2D23E31 -138.69 2.1 -8.71 0.29 0
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217662 85088183 1 ClIOC16H16 ABCD16E16 -3.93 2.93 -8.95 -0.72 0
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217663 85088185 1 ClON4H21C22 ABC4D21E22 20.56 2.15 -8.8 -1.23 0
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217664 85088186 1 BrN2O2C18H31 AB2C2D18E31 -53.75 12.98 -7.63 -0.92 1
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217665 85088187 1 N2O2C18H31 A2B2C18D31 -38.47 0.1 0.0 0.0 0
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217666 85088188 1 N3O6C19H25 A3B6C19D25 -242.61 6.85 -9.82 -0.29 0
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217667 85088189 1 NPO6C18H26 ABC6D18E26 -289.06 2.84 -9.65 -1.29 0
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217668 85088191 1 N3O5C20H25 A3B5C20D25 -139.18 7.3 -9.56 -1.17 0
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217669 85088192 1 Cl2N3O3C17H23 A2B3C3D17E23 -122.93 2.06 -9.7 -1.02 0
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217670 85088193 1 PO8C17H25 AB8C17D25 -385.92 4.26 -10.15 -0.85 0
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217671 85088194 1 PO8C17H25 AB8C17D25 -382.95 3.3 -10.2 -0.64 0
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217672 85088195 4 O2C5H5 A2B5C5 -288.98 7.21 -8.86 -0.28 0
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217673 85088196 1 SO2N6H12C19 AB2C6D12E19 168.92 8.02 -9.01 -1.89 0
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217674 85088197 2 NO3C10H12 AB3C10D12 -234.0 1.85 -8.64 -0.79 0
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217675 85088198 1 N2O4C23H30 A2B4C23D30 -49.78 3.96 -9.21 -1.48 0
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217676 85088199 1 FSO3N4H17C18 ABC3D4E17F18 -63.34 13.92 -9.48 -2.07 0