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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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135712 51920736 2 NO3C14H15 AB3C14D15 -190.95 8.77 -8.42 -0.43 0
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135713 51920737 1 N2O5C19H28 A2B5C19D28 -227.45 7.45 -9.3 -0.36 0
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135714 51921056 1 SN2O5C19H26 AB2C5D19E26 -202.34 8.04 -9.59 -0.4 0
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135715 51921295 1 N2O6C25H30 A2B6C25D30 -229.47 6.45 -8.81 -0.29 0
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135716 51921325 2 NO2C11H16 AB2C11D16 -201.21 5.65 -9.66 -0.37 0
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135717 51921326 1 N3O6C22H25 A3B6C22D25 -157.8 8.91 -9.83 -1.42 0
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135718 51921327 1 N3O6C22H25 A3B6C22D25 -156.0 11.12 -9.76 -1.34 0
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135719 51921328 1 N3O6C22H25 A3B6C22D25 -154.68 3.05 -9.61 -1.46 0
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135720 51921329 1 N3O6C22H25 A3B6C22D25 -159.88 3.03 -9.38 -1.59 0
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135721 51921330 1 N2O4C23H34 A2B4C23D34 -206.85 5.15 -9.6 -0.41 0
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135722 51921331 1 N2O4C23H34 A2B4C23D34 -205.81 2.94 -9.58 -0.27 0
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135723 51921367 1 N3O5C26H33 A3B5C26D33 -175.09 4.28 -8.54 -0.36 0
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135724 51921378 1 SF2N2O4C22H24 AB2C2D4E22F24 -247.67 7.25 -9.33 -0.89 0
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135725 51921389 1 N2F3O5C22H23 A2B3C5D22E23 -348.15 5.53 -9.34 -0.79 0
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135726 51921412 1 ClFN2O4C21H22 ABC2D4E21F22 -200.17 5.5 -9.22 -0.67 -1
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135727 51921540 1 NF2O5H12C16 AB2C5D12E16 -211.76 4.48 0.0 0.0 2
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135728 51921628 1 ON4C21H28 AB4C21D28 9.1 5.26 -7.55 -0.57 -1
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135729 51922223 1 IO3C11H12 AB3C11D12 -45.93 5.43 0.0 0.0 -1
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135730 51922224 1 IO2C13H14 AB2C13D14 -11.35 4.52 0.0 0.0 1
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135731 51922397 1 N2O2C13H19 A2B2C13D19 -23.21 15.62 0.0 0.0 1
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135732 51922398 1 N2O2C13H19 A2B2C13D19 -27.36 13.92 0.0 0.0 0
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135733 51922689 1 FNS3O4C15H16 ABC3D4E15F16 -157.22 4.61 -9.23 -1.0 0
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135734 51923042 1 FO2N3C21H24 AB2C3D21E24 -82.34 6.75 -8.25 -0.12 0
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135735 51923372 1 SN2O2C14H16 AB2C2D14E16 -26.07 1.47 -8.65 -0.39 0
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135736 51923640 2 NO2C10H13 AB2C10D13 -164.26 5.46 -8.92 -0.17 0
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135737 51923669 1 O3N5C18H19 A3B5C18D19 5.55 10.55 -8.63 -1.1 0
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135738 51924336 1 F2N3O4C16H19 A2B3C4D16E19 -185.59 3.16 -9.11 -0.95 0
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135739 51924379 1 N3O6C18H23 A3B6C18D23 -221.07 5.01 -9.02 -0.34 0
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135740 51924903 1 ClO2N5C19H20 AB2C5D19E20 35.57 4.32 -9.21 -0.58 0
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135741 51924904 1 NSO6C22H27 ABC6D22E27 -196.34 8.02 -8.87 -0.28 0
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135742 51924905 1 NSO6C22H27 ABC6D22E27 -197.88 7.65 -8.83 -0.2 1
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135743 51926130 1 ClOSN3C15H19 ABCD3E15F19 40.88 13.09 0.0 0.0 0
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135744 51926131 1 ClOSN3C15H18 ABCD3E15F18 32.49 2.4 -8.67 -1.08 1
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135745 51926132 1 ClOSN3C15H19 ABCD3E15F19 37.22 18.35 0.0 0.0 0
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135746 51926177 1 NO2C18H25 AB2C18D25 -97.51 6.02 -9.05 -0.24 0
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135747 51926178 1 NO2C18H25 AB2C18D25 -99.17 6.04 -9.05 -0.24 1
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135748 51927206 1 N2O3C22H29 A2B3C22D29 -73.62 3.51 0.0 0.0 0
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135749 51927346 1 ClN2O2C21H23 AB2C2D21E23 -70.81 2.12 -9.23 -0.83 0
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135750 51927777 1 FO2N3C18H20 AB2C3D18E20 -48.56 7.57 -8.8 -0.46 0
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135751 51928038 1 NO6C19H21 AB6C19D21 -198.95 2.77 -8.87 -0.29 0
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135752 51928179 1 ON3C14H17 AB3C14D17 -12.18 6.12 -8.66 -0.69 0
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135753 51928180 1 ClN2O3C12H15 AB2C3D12E15 -113.04 2.72 -8.5 -0.34 0
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135754 51928365 1 SN2O3C17H22 AB2C3D17E22 -93.59 4.72 -8.75 -0.38 0
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135755 51928602 1 ClN2O3C19H21 AB2C3D19E21 -91.94 2.91 -8.8 -0.14 0
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135756 51929326 1 FN3O4C22H22 AB3C4D22E22 -151.4 5.55 -8.82 -0.43 1
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135757 51929327 1 ClOSN5C16H17 ABCD5E16F17 58.48 19.09 0.0 0.0 1
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135758 51929328 1 SO3N5C18H22 AB3C5D18E22 35.41 3.24 0.0 0.0 1
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135759 51929329 1 SN3O4C19H24 AB3C4D19E24 -104.66 5.4 0.0 0.0 1
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135760 51929938 1 N2O3C21H31 A2B3C21D31 -93.65 13.33 0.0 0.0 0
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135761 51930006 1 N2O3S3C16H18 A2B3C3D16E18 -85.01 1.61 -8.95 -0.73 1
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135762 51930433 1 SO2N3C16H18 AB2C3D16E18 8.52 10.8 0.0 0.0 0
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135763 51930434 1 SN2O5C20H26 AB2C5D20E26 -172.08 9.77 -8.88 -0.86 0
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135764 51930680 1 N3O7C21H25 A3B7C21D25 -205.28 7.93 -9.74 -1.74 0
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135765 51932214 1 N2O3C23H28 A2B3C23D28 -84.38 1.9 -8.69 -0.46 0
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135766 51932215 1 N2O3C23H28 A2B3C23D28 -81.8 1.41 -8.65 -0.38 0
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135767 51932255 1 ClO2N3H20C22 AB2C3D20E22 -6.61 3.23 -8.47 -1.01 -1
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135768 51933566 1 O2S2N5H18C20 A2B2C5D18E20 79.12 3.63 0.0 0.0 0
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135769 51933866 1 ClFNSO3H15C16 ABCDE3F15G16 -141.88 1.99 -9.11 -0.65 0
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135770 51933867 1 ClFNSO3H15C16 ABCDE3F15G16 -141.95 2.01 -9.11 -0.66 0
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135771 51933868 1 NSO3C20H25 ABC3D20E25 -108.9 4.59 -9.09 -0.26 0
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135772 51934225 1 SN2O5C15H18 AB2C5D15E18 -178.21 4.1 -8.93 -1.54 1
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135773 51934510 1 Cl2N2O3C18H25 A2B2C3D18E25 -135.27 2.77 0.0 0.0 0
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135774 51934511 1 Cl2N2O3C18H24 A2B2C3D18E24 -141.92 1.82 -8.83 -0.44 1
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135775 51934543 1 BrO3N5H19C20 AB3C5D19E20 33.37 4.23 0.0 0.0 1
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135776 51934684 5 NC3H4 AB3C4 131.96 9.01 0.0 0.0 0
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135777 51934685 1 N5C15H19 A5B15C19 114.14 6.71 -9.37 -0.26 0
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135778 51934857 1 ClSO2N3C20H20 ABC2D3E20F20 7.88 5.81 -9.31 -0.88 0
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135779 51934858 1 ClSO2N3C20H20 ABC2D3E20F20 7.66 5.02 -9.37 -0.89 0
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135780 51934859 1 ClSO2N3H16C18 ABC2D3E16F18 17.31 5.19 -8.99 -1.11 0
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135781 51934895 1 FO2N3C22H24 AB2C3D22E24 -70.01 6.35 -8.96 -0.67 0
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135782 51934896 1 ClFO2N4C20H24 ABC2D4E20F24 -104.87 4.92 -8.91 -0.28 0
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135783 51934973 1 OCl2N5C20H21 AB2C5D20E21 32.87 6.36 -9.6 -0.63 0
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135784 51934974 1 OCl2N5C20H21 AB2C5D20E21 32.86 5.07 -9.55 -0.76 1
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135785 51935020 1 O3N4C23H27 A3B4C23D27 -9.8 4.73 0.0 0.0 0
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135786 51935339 1 ClN3O5H16C19 AB3C5D16E19 -127.08 6.86 -9.07 -1.01 1
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135787 51936481 1 OSN6C25H27 ABC6D25E27 66.71 4.87 0.0 0.0 1
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135788 51937019 1 SF3O3N4C17H22 AB3C3D4E17F22 -196.29 4.21 0.0 0.0 0
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135789 51937268 1 Cl2O2N3C19H21 A2B2C3D19E21 -28.23 2.62 -9.22 -1.1 0
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135790 51937269 1 O2F3N3C20H22 A2B3C3D20E22 -173.99 3.32 -9.28 -1.14 0
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135791 51937270 1 O2F3N3C20H22 A2B3C3D20E22 -174.63 4.5 -9.28 -1.09 0
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135792 51937271 1 O2F3N3C20H22 A2B3C3D20E22 -174.96 5.11 -9.27 -1.16 0
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135793 51937505 1 N3O3C24H31 A3B3C24D31 -94.43 2.31 -8.79 0.22 1
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135794 51937506 1 N3O3C24H32 A3B3C24D32 -76.62 5.45 0.0 0.0 0
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135795 51937764 1 O2F3N3C12H12 A2B3C3D12E12 -215.24 4.17 -9.35 -0.54 0
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135796 51937765 1 O2F3N3C12H12 A2B3C3D12E12 -214.17 5.0 -9.55 -0.7 0
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135797 51937894 1 N2O3C23H26 A2B3C23D26 -84.85 5.24 -8.72 -0.09 0
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135798 51937895 1 SO2N4H20C21 AB2C4D20E21 0.82 8.92 -8.67 -0.58 0
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135799 51937896 1 SO2N4H20C21 AB2C4D20E21 0.78 5.32 -8.6 -0.62 0
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135800 51938004 1 FSN2O2C20H25 ABC2D2E20F25 -128.79 1.51 -8.98 -0.55 0
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135801 51938308 1 NO2C13H21 AB2C13D21 -99.46 2.95 -9.33 0.41 0
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135802 51938490 1 BrON4C19H23 ABC4D19E23 3.6 7.88 -9.35 -0.1 0
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135803 51938491 1 BrON4C19H23 ABC4D19E23 3.16 2.64 -9.44 -0.37 0
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135804 51938492 2 ON2C10H13 AB2C10D13 -35.03 3.45 -9.12 0.06 0
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135805 51938522 1 SO3N4C19H24 AB3C4D19E24 -72.52 7.59 -9.54 -0.98 0
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135806 51938586 1 O2N5C24H31 A2B5C24D31 -49.32 6.65 -8.98 0.19 0
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135807 51939012 1 N3O4C20H21 A3B4C20D21 -111.67 6.35 -8.74 -0.48 0
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135808 51939126 1 ClSO3N4C16H17 ABC3D4E16F17 -66.32 8.69 -9.39 -0.8 0
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135809 51939338 1 SN2F4O5H12C15 AB2C4D5E12F15 -289.45 7.57 -10.03 -1.63 0
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135810 51939491 1 BrNO3C19H24 ABC3D19E24 -81.5 5.31 -8.93 -0.08 1
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135811 51939492 1 BrNO3C19H25 ABC3D19E25 -60.14 1.27 0.0 0.0 0