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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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143789 53263021 1 BrN2O2C15H17 AB2C2D15E17 -25.37 5.35 -9.49 -0.58 0
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143790 53263022 1 BrN2O2C10H15 AB2C2D10E15 -62.36 0.47 -9.44 -0.56 0
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143791 53263697 1 BrOSN3C15H20 ABCD3E15F20 5.97 3.65 -8.52 -0.16 0
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143792 53263919 1 NO4C20H23 AB4C20D23 -140.59 4.36 -9.03 -0.23 0
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143793 53264305 1 O2N5C14H15 A2B5C14D15 43.63 4.48 -8.28 -0.29 0
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143794 53264715 1 F2N2O2H14C17 A2B2C2D14E17 -91.34 2.58 -8.48 -0.82 0
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143795 53264716 1 FN2O2H15C17 AB2C2D15E17 -48.3 3.32 -8.32 -0.69 0
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143796 53265023 1 KOSN2H7C9 ABCD2E7F9 -18.9 7.8 -7.53 0.09 0
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143797 53265181 2 SN2O3C16H16 AB2C3D16E16 -176.18 9.64 -8.39 -1.77 0
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143798 53265246 1 BrO2N6H17C19 AB2C6D17E19 92.2 7.43 -8.36 -1.19 0
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143799 53265550 1 SN6H14C16 AB6C14D16 153.97 4.94 -8.54 -1.08 0
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143800 53265706 3 ON2C9H10 AB2C9D10 32.39 2.58 -8.62 -1.0 0
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143801 53265886 1 NO4C23H29 AB4C23D29 -154.28 6.74 -8.87 -0.67 0
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143802 53266110 1 NO4C21H25 AB4C21D25 -147.26 4.98 -9.06 -0.62 0
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143803 53266157 1 NO2C21H27 AB2C21D27 -77.23 3.05 -8.88 0.04 0
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143804 53266307 1 NO4C21H25 AB4C21D25 -148.65 3.76 -9.0 -0.61 0
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143805 53266456 1 N2O3C18H20 A2B3C18D20 -99.81 5.2 -9.02 -0.49 0
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143806 53266457 1 NO4C23H29 AB4C23D29 -164.66 5.84 -8.97 -0.64 0
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143807 53266458 1 NO2F3C18H18 AB2C3D18E18 -217.99 4.67 -9.0 -0.55 0
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143808 53266459 1 ClNO3H22C24 ABC3D22E24 -68.41 2.46 -8.66 -1.13 0
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143809 53266460 1 ClNO2C20H24 ABC2D20E24 -77.73 4.24 -9.07 -0.27 0
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143810 53266478 1 N2O5C20H24 A2B5C20D24 -100.36 7.5 -8.94 -1.43 0
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143811 53266665 1 N2O4C25H26 A2B4C25D26 -41.05 7.41 -9.23 -1.22 0
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143812 53266666 1 N2O4C25H26 A2B4C25D26 -40.92 9.27 -9.25 -1.21 0
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143813 53266817 1 ClNO4C21H26 ABC4D21E26 -152.79 3.86 -8.24 -0.38 0
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143814 53266818 1 INO2C20H24 ABC2D20E24 -58.17 6.04 -8.79 -0.69 0
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143815 53266819 1 SN2O2C27H28 AB2C2D27E28 -26.94 4.54 -8.72 -0.77 0
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143816 53266820 1 N2O2C21H28 A2B2C21D28 -65.37 3.49 -7.88 0.18 0
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143817 53266821 1 NO2C19H23 AB2C19D23 -69.92 3.07 -8.68 0.1 0
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143818 53266822 1 NO2C19H23 AB2C19D23 -71.3 2.48 -8.49 0.14 0
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143819 53266947 1 NCl2O4H21C24 AB2C4D21E24 -120.71 5.71 -8.92 -0.92 0
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143820 53267292 1 BrFN2O2H12C17 ABC2D2E12F17 -27.88 6.77 -9.11 -1.41 0
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143821 53267293 1 BrFN2O2H16C19 ABC2D2E16F19 -40.7 6.06 -9.13 -1.4 0
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143822 53267294 1 BrFNO4H23C25 ABCD4E23F25 -119.19 4.52 -8.33 -0.92 0
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143823 53267295 1 BrClFNO3H20C24 ABCDE3F20G24 -89.36 5.42 -8.8 -0.94 0
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143824 53267296 1 BrFN3O5H9C14 ABC3D5E9F14 -46.09 1.54 -9.56 -2.37 0
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143825 53267297 1 BrFN2O6H20C24 ABC2D6E20F24 -114.7 11.48 -8.9 -1.24 0
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143826 53267298 1 BrClFNO3H22C25 ABCDE3F22G25 -94.1 3.46 -8.72 -0.79 0
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143827 53267368 1 BrFNO3H23C25 ABCD3E23F25 -83.05 5.2 -8.71 -0.96 0
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143828 53267369 1 BrFNO3H23C25 ABCD3E23F25 -83.98 3.13 -8.52 -0.86 0
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143829 53267370 1 BrFNO5H25C27 ABCD5E25F27 -170.44 4.31 -8.97 -1.05 0
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143830 53267371 1 BrFNO5H25C27 ABCD5E25F27 -166.11 3.01 -9.1 -0.87 0
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143831 53267372 1 BrFN2O6H20C24 ABC2D6E20F24 -115.84 8.22 -8.99 -1.42 0
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143832 53267373 1 BrFN2O6H20C24 ABC2D6E20F24 -117.51 3.84 -8.93 -1.59 0
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143833 53267374 1 BrClNO5H27C32 ABCD5E27F32 -99.51 7.45 -8.56 -1.23 0
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143834 53267375 1 BrFNO3H25C26 ABCD3E25F26 -86.72 7.31 -8.7 -0.67 0
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143835 53267521 1 BrClNO3H21C24 ABCD3E21F24 -44.39 5.18 -8.65 -0.89 0
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143836 53267522 1 BrNO2Cl3H9C14 ABC2D3E9F14 -52.91 2.75 -9.26 -0.88 0
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143837 53267523 1 BrClN2O3H16C19 ABC2D3E16F19 -81.29 7.07 -8.97 -1.79 0
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143838 53267524 1 BrClN2O3H18C20 ABC2D3E18F20 -83.73 6.17 -9.04 -1.75 0