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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405117 135072641 1 NO5C15H25 AB5C15D25 -216.28 1.45 -9.13 0.43 0
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405118 135072642 1 FOSH11C14 ABCD11E14 -40.14 1.74 -9.07 -0.44 0
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405119 135072643 1 BrNO2C15H20 ABC2D15E20 -68.1 3.45 -9.81 -1.02 0
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405120 135072644 1 NOPCl2H16C20 ABCD2E16F20 -12.21 2.52 -9.6 -0.65 0
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405121 135072646 1 O2N3H21C24 A2B3C21D24 60.04 2.0 -9.02 -0.6 0
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405122 135072647 1 N2O3C12H14 A2B3C12D14 -42.44 1.69 -8.42 -0.72 0
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405123 135072648 1 NF3O4C10H12 AB3C4D10E12 -295.76 11.31 -9.86 -1.08 0
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405124 135072649 1 ON3H11C15 AB3C11D15 110.7 4.99 -9.41 -1.0 0
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405125 135072650 1 ClOSH11C16 ABCD11E16 33.24 4.21 -8.83 -1.61 0
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405126 135072652 2 NC11H12 AB11C12 77.05 1.87 -8.41 -0.3 0
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405127 135072654 1 NPO4C12H18 ABC4D12E18 -210.1 2.77 -9.56 -0.49 0
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405128 135072655 1 NSO2C14H21 ABC2D14E21 -31.92 4.53 -8.18 0.16 0
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405129 135072658 1 NSO2C23H27 ABC2D23E27 -11.11 5.57 -9.05 -0.43 0
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405130 135072659 1 ClNC12H12 ABC12D12 47.91 3.41 -8.43 -0.22 0
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405131 135072660 1 N4O4C19H20 A4B4C19D20 -28.78 10.15 -9.58 -1.19 0
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405132 135072661 1 NO3C21H23 AB3C21D23 -57.55 2.27 -8.76 -0.36 0
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405133 135072662 1 NC25H27 AB25C27 81.67 1.49 -9.06 0.25 0
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405134 135072663 1 NO2C19H21 AB2C19D21 -30.58 2.44 -9.39 0.05 0
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405135 135072665 1 NSO3C15H21 ABC3D15E21 -125.26 4.7 -9.86 -0.46 0
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405136 135072667 2 NO2C8H12 AB2C8D12 -115.18 2.24 -9.84 -1.09 1
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405137 135072668 1 N2O4C16H25 A2B4C16D25 -104.47 7.89 0.0 0.0 0
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405138 135072669 1 O8C23H28 A8B23C28 -292.77 2.83 -9.41 0.22 0
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405139 135072670 1 O8C17H24 A8B17C24 -321.13 1.08 -10.24 0.25 0
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405140 135072772 1 OSN2H14C16 ABC2D14E16 73.62 6.11 -8.23 -0.26 0
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405141 135072773 1 NOSiC15H27 ABCD15E27 -100.62 2.38 -8.3 0.38 0
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405142 135072776 1 O3C16H22 A3B16C22 -134.81 4.12 -9.43 -0.37 0
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405143 135072777 1 PO4C19H23 AB4C19D23 -191.9 0.78 -9.19 -0.02 0
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405144 135072779 1 ClN2O4C16H17 AB2C4D16E17 -110.14 2.09 -10.06 -1.12 1
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405145 135072780 1 ClN2O4C16H18 AB2C4D16E18 -111.31 4.57 0.0 0.0 0
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405146 135072781 2 NO2H7C9 AB2C7D9 -48.25 3.71 -9.44 -1.08 1
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405147 135072782 1 N2O4H15C18 A2B4C15D18 -46.84 4.84 0.0 0.0 0
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405148 135072783 1 NSO3C18H27 ABC3D18E27 -133.21 5.28 -10.11 -0.47 0
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405149 135072786 1 SiN2C19H26 AB2C19D26 15.01 3.81 -8.52 -0.08 0
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405150 135072787 2 NO2C8H12 AB2C8D12 -118.93 2.11 -9.53 -1.11 1
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405151 135072788 1 N2O4C16H25 A2B4C16D25 -106.94 2.88 0.0 0.0 0
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405152 135072789 1 C15H16 A15B16 82.01 1.48 -9.3 0.31 0
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405153 135072790 1 C13H18 A13B18 54.06 1.41 -9.15 1.4 0
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405154 135072791 1 NSO5C15H19 ABC5D15E19 -160.49 4.63 -9.45 -0.76 0
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405155 135072792 1 NO2H25C27 AB2C25D27 42.7 2.84 -9.05 -0.31 0
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405156 135072793 1 ClSeN2O5C9H11 ABC2D5E9F11 -208.7 3.74 -9.67 -1.38 0
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405157 135072794 2 OC9H13 AB9C13 -46.77 3.13 -9.29 0.4 0
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405158 135072795 1 NSO2C18H19 ABC2D18E19 -50.06 3.99 -9.45 -0.46 0
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405159 135072796 1 SeSiN3O5C22H31 ABC3D5E22F31 -219.64 9.47 -8.7 -1.06 0
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405160 135072798 1 NO5C22H25 AB5C22D25 -183.76 3.42 -9.5 -0.22 0
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405161 135072799 2 OH7C9 AB7C9 -19.27 4.91 -9.18 -1.09 0
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405162 135072801 1 ClO2H13C18 AB2C13D18 -29.79 6.54 -9.15 -1.2 0
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405163 135072802 1 NSO4C22H25 ABC4D22E25 -64.11 8.48 -8.93 -0.76 0
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405164 135072803 1 BrNO4C17H20 ABC4D17E20 -136.93 1.24 -8.13 -1.26 0
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405165 135072804 1 BrNO2C13H16 ABC2D13E16 -61.52 3.24 -9.2 -1.11 0
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405166 135072805 1 BrNO2C18H18 ABC2D18E18 -34.14 3.78 -9.38 -1.17 0