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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141823 52933862 1 N2O4C21H22 A2B4C21D22 -74.34 2.07 -7.95 -0.22 0
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141824 52934014 1 SN3O4H17C20 AB3C4D17E20 -35.49 10.65 -8.88 -1.07 0
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141825 52934108 1 SF3N4O5H17C18 AB3C4D5E17F18 -254.03 4.97 -8.73 -1.12 3
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141826 52934749 1 N4C43H55 A4B43C55 118.3 3.57 0.0 0.0 0
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141828 52935200 1 NO2C23H32 AB2C23D32 -63.28 2.7 0.0 0.0 0
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141829 52935339 1 N2O5C21H30 A2B5C21D30 -224.81 4.97 -8.64 -0.01 0
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141830 52935467 1 ON3H21C24 AB3C21D24 38.94 2.01 -8.46 -0.57 0
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141831 52935468 1 N3O3H23C24 A3B3C23D24 -42.32 8.03 -8.69 -0.49 0
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141832 52936038 1 F4N5H17C21 A4B5C17D21 -100.54 2.23 -8.76 -1.17 0
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141833 52936060 1 ClSO3N5H10C14 ABC3D5E10F14 1.42 5.5 -8.93 -1.4 0
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141834 52936061 1 SN4O4H12C14 AB4C4D12E14 -44.91 6.31 -8.8 -0.93 0
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141835 52936062 1 ON6C24H26 AB6C24D26 44.67 4.38 -8.65 -0.9 0
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141836 52936218 1 BrNO3C15H18 ABC3D15E18 -130.29 1.0 -9.72 -0.44 0
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141837 52936230 1 S2F3N4O6H17C24 A2B3C4D6E17F24 -295.8 2.91 -9.0 -1.56 0
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141838 52936231 1 NaS2F3N4O6H16C24 AB2C3D4E6F16G24 -355.04 6.12 -8.69 -1.0 0
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141839 52936627 1 O3N10C42H46 A3B10C42D46 3.43 4.3 -8.66 -0.3 0
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141840 52936628 1 O3N5C21H27 A3B5C21D27 -86.33 2.0 -9.3 -0.14 0
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141841 52936629 1 F3O3N4C15H17 A3B3C4D15E17 -213.08 6.65 -8.26 -1.27 0
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141842 52936630 1 F3O3N4C21H21 A3B3C4D21E21 -173.06 8.63 -8.45 -1.12 0
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141843 52937140 1 C25H36 A25B36 -10.6 0.67 -9.05 0.48 0
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141844 52937364 1 O2N4H14C17 A2B4C14D17 29.21 9.87 -8.38 -1.84 0
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141845 52937713 2 N2O3C7H13 A2B3C7D13 -243.04 10.75 -10.02 -0.46 0
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141846 52938231 1 N2O3C24H24 A2B3C24D24 -17.25 2.88 -8.43 -0.41 0
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141847 52938270 2 N2C11H12 A2B11C12 79.1 4.91 -8.4 -0.4 0
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141848 52938279 1 N2O5C24H30 A2B5C24D30 -134.05 4.74 -8.35 -0.19 0
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141849 52938280 1 N2O4C23H28 A2B4C23D28 -96.86 0.99 -8.38 -0.1 0
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141850 52938281 1 PSN9O14C63H70 ABC9D14E63F70 -410.25 19.14 -8.48 -0.79 0
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141852 52938283 1 ClON7C33H38 ABC7D33E38 62.47 4.34 -8.07 -0.6 0
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141853 52938284 1 ON7C33H37 AB7C33D37 90.1 2.83 -8.44 -0.6 0
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141854 52938631 1 FON8C27H31 ABC8D27E31 23.34 4.82 -9.05 -1.22 0
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141855 52939414 1 N4O4H22C23 A4B4C22D23 -43.38 6.5 -9.51 -1.24 0
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141856 52939699 1 OF2N5H11C16 AB2C5D11E16 -22.98 2.19 -8.74 -1.14 0
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141857 52939700 1 OF3N5H12C17 AB3C5D12E17 -85.02 4.73 -8.63 -0.99 0
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141858 52939701 2 ON3H8C9 AB3C8D9 20.87 2.07 -8.77 -1.15 0
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141859 52939985 1 ClN4O4C25H27 AB4C4D25E27 -106.98 2.99 -8.68 -0.87 0
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141860 52939986 1 BNO4C9H12 ABC4D9E12 -208.0 5.29 -9.35 -0.12 0
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141861 52941134 1 ClO2N5C20H36 AB2C5D20E36 -112.11 3.59 -8.77 -0.1 0
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141862 52941347 1 F2O2N3C24H31 A2B2C3D24E31 -153.03 2.99 -9.32 -0.47 0
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141863 52941526 1 O3N4C24H26 A3B4C24D26 -21.38 4.71 -8.89 -0.61 0
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141864 52941759 1 Cl2N3O10C27H33 A2B3C10D27E33 -415.63 4.97 -8.67 -1.03 0
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141865 52942524 1 F2N2O2C25H32 A2B2C2D25E32 -162.22 4.23 -9.43 -0.22 0
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141866 52942733 1 FO3C21H21 AB3C21D21 -131.1 7.16 -9.13 -1.05 0
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141867 52942831 1 N2O6H20C21 A2B6C20D21 -223.91 1.22 -8.47 -0.75 0
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141868 52943088 1 O2C17H20 A2B17C20 -64.29 5.0 -9.7 -0.29 0
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141869 52943243 1 O2F3N8C28H35 A2B3C8D28E35 -175.67 3.48 -8.5 -0.96 0
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141870 52943598 1 N2O4C15H18 A2B4C15D18 -141.26 5.63 -8.84 -0.59 0
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141871 52943599 1 O2N4H26C27 A2B4C26D27 15.58 2.39 -9.11 -0.91 0
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141872 52943600 4 O3C13H20 A3B13C20 -522.02 4.52 -10.09 -0.63 0
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141873 52943601 1 NO7C35H57 AB7C35D57 -272.68 4.82 -9.75 -0.46 0
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141874 52943602 1 NO7C36H59 AB7C36D59 -282.44 3.74 -9.6 -0.41 0
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141875 52943603 1 FN6O8C38H51 AB6C8D38E51 -391.45 8.97 -9.41 -0.45 0
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141876 52943993 1 N2O2C23H26 A2B2C23D26 -23.0 4.73 -8.97 -0.23 0
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141877 52944306 1 ON3Br4H27C32 AB3C4D27E32 116.72 4.22 -9.25 -0.46 0
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141878 52944410 1 ClN3O4C31H36 AB3C4D31E36 -150.3 3.75 -9.29 -0.5 0
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141879 52944411 1 O2F3N3H16C20 A2B3C3D16E20 -106.06 5.4 -9.3 -0.32 0
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141880 52944806 2 O5C26H40 A5B26C40 -409.47 1.92 -9.99 -0.51 0
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141881 52945175 1 O3N4C28H30 A3B4C28D30 -10.47 4.36 -8.85 -0.57 0
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141882 52945176 1 SO2F3N4C18H21 AB2C3D4E18F21 -218.35 6.56 -8.87 -0.88 0
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141883 52945286 1 FN5O6C21H24 AB5C6D21E24 -169.5 10.59 -8.94 -1.22 0
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141884 52945343 3 F2N2H6C7 A2B2C6D7 -229.76 4.81 -8.9 -1.01 0
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141885 52945465 1 NO5C36H57 AB5C36D57 -305.1 5.0 -9.4 0.2 0
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141886 52945676 1 ON3H31C32 AB3C31D32 110.31 3.04 -8.84 0.06 0
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141887 52945679 1 ClON2C17H23 ABC2D17E23 7.41 5.44 -8.52 -1.22 0
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141888 52946838 1 ClON4H13C17 ABC4D13E17 89.73 1.58 -8.04 -0.91 0
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141889 52947195 2 ClNO3C10H16 ABC3D10E16 -250.85 4.62 -8.58 0.04 0
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141890 52947213 2 ClNO4C13H19 ABC4D13E19 -343.3 3.64 -8.7 0.13 0
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141891 52947214 1 ClN5C19H34 AB5C19D34 -19.37 4.41 -8.72 -0.06 0
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141892 52947415 1 N2S2C31H38 A2B2C31D38 46.76 3.05 -8.0 -0.24 0
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141893 52947521 1 OCl2N5H27C29 AB2C5D27E29 70.86 3.79 -8.18 -1.29 0
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141894 52947522 1 SN4H18C21 AB4C18D21 139.26 2.75 -8.66 -0.97 0
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141896 52948234 1 O28N53C162H253 A28B53C162D253 -1060.88 16.86 -8.17 -0.93 0
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141897 52948595 1 NO4C20H23 AB4C20D23 -129.84 3.2 -9.1 -0.69 0
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141898 52948596 1 SO2F3N4H19C20 AB2C3D4E19F20 -187.26 6.03 -8.71 -1.08 0
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141899 52948597 1 SO2F3N5H16C18 AB2C3D5E16F18 -165.48 6.12 -8.92 -1.19 0
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141900 52948996 1 SN3O3F4C24H25 AB3C3D4E24F25 -255.37 10.43 -9.66 -1.41 0
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141901 52949072 2 SN2O5C15H16 AB2C5D15E16 -328.15 9.46 -8.54 -1.9 0
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141902 52949073 1 ClN3O3C18H20 AB3C3D18E20 -59.36 2.23 -8.51 -0.83 0
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141903 52949074 1 NO12C38H69 AB12C38D69 -625.51 6.2 -9.28 0.22 0
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141904 52949075 2 O2N3C15H16 A2B3C15D16 -24.14 1.44 -8.17 -0.6 0
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141905 52949076 1 ClN3C10H14 AB3C10D14 6.73 3.53 -8.64 0.02 0
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141906 52949545 1 O3N5H23C25 A3B5C23D25 10.65 9.59 -9.2 -0.6 0
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141907 52949738 1 SO2N5C21H23 AB2C5D21E23 -34.96 9.12 -8.63 -0.96 0
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141908 52949739 1 SO2N5C19H21 AB2C5D19E21 -16.31 6.05 -8.65 -1.0 0
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141909 52950005 2 ON3H9C10 AB3C9D10 43.25 4.09 -8.8 -1.15 0
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141910 52950127 1 F2O2N3H21C22 A2B2C3D21E22 -74.19 5.5 -9.06 -0.18 0
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141911 52951290 1 BrO4C7H9 AB4C7D9 -152.4 4.7 -9.88 -1.13 0
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141912 52951291 1 O4C7H10 A4B7C10 -125.86 3.13 -9.48 0.28 0
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141913 52951292 1 O4C7H12 A4B7C12 -180.12 4.01 -10.29 0.08 0
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141914 52951366 1 NO2C12H23 AB2C12D23 -124.55 1.41 -9.74 0.05 0
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141915 52951783 2 OC7H12 AB7C12 -111.73 6.05 -9.0 0.21 0
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141916 52951916 1 N3O3C7H13 A3B3C7D13 -47.2 8.81 -9.43 -0.32 0
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141917 52952197 1 NO3C23H23 AB3C23D23 -53.69 6.34 -8.92 -0.94 0
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141918 52952198 1 BrNOC20H22 ABCD20E22 -8.22 3.72 -8.78 -0.03 0
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141919 52952320 2 O3C15H23 A3B15C23 -310.65 3.12 -9.59 -0.23 0
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141920 52952616 1 SO2F3N3C16H18 AB2C3D3E16F18 -176.05 3.86 -9.36 -1.08 0
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141921 52952749 1 O17C29H32 A17B29C32 -676.06 4.65 -9.06 -0.85 0
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141922 52952750 1 O26C47H50 A26B47C50 -1071.35 8.47 -9.19 -1.13 0
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141923 52952751 2 O5C18H28 A5B18C28 -471.48 4.15 -9.08 0.51 0
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141924 52952993 1 N3O3C16H17 A3B3C16D17 -72.69 4.99 -9.66 -1.02 0
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141925 52953550 2 N2O2C15H17 A2B2C15D17 -122.72 1.91 -8.12 -0.12 0