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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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10800 108090 1 O14C47H70 A14B47C70 -682.49 3.57 -9.47 0.18 0
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10801 108140 1 ON2C7H9 AB2C7D9 7.39 2.24 0.0 0.0 1
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10802 108151 2 SN3O4C12H17 AB3C4D12E17 -273.38 3.23 -8.52 -1.47 0
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10803 108152 1 N3O5H25C29 A3B5C25D29 -110.18 7.69 -7.98 -0.74 0
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10804 108155 1 N2O9C27H30 A2B9C27D30 -333.86 11.13 -8.86 -1.93 0
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10805 108166 1 N2O2Cl3C37H45 A2B2C3D37E45 -73.67 13.01 -8.36 -0.8 0
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10806 108179 2 O4C11H12 A4B11C12 -225.43 3.84 -9.93 -0.89 0
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10807 108185 1 ClO2N6H21C22 AB2C6D21E22 48.95 5.98 -9.79 -0.83 0
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10808 108191 1 ON2C12H20 AB2C12D20 -55.12 2.22 -8.55 0.46 0
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10809 108192 1 O8C25H36 A8B25C36 -383.5 6.75 -9.75 -0.3 0
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10810 108196 2 HS AB 4.9 0.0 -8.88 -1.53 0
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10811 108199 1 O3C4H8 A3B4C8 -106.6 3.22 -10.45 1.36 0
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10812 108205 1 NO10C30H31 AB10C30D31 -351.34 11.14 -8.78 -1.13 0
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10813 108206 1 P3N7C11O13H16 A3B7C11D13E16 -616.46 2.87 -9.04 -1.28 0
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10814 108226 1 ON3C6H16 AB3C6D16 -24.76 4.06 0.0 0.0 1
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10815 108230 1 N5O7C10H11 A5B7C10D11 -136.0 10.35 -9.85 -1.85 0
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10816 108231 1 O3C13H28 A3B13C28 -183.17 2.16 -9.57 2.06 0
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10817 108232 1 O3C14H30 A3B14C30 -186.6 1.49 -9.78 2.04 0
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10818 108252 1 O3C11H16 A3B11C16 -123.91 2.67 -8.83 0.12 0
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10819 108274 1 ClNOC14H20 ABCD14E20 -65.65 4.35 -9.25 0.22 0
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10820 108275 1 NOC14H19 ABC14D19 -28.81 2.34 -8.86 0.38 0
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10821 108281 1 NC14H19 AB14C19 29.43 1.58 -8.33 0.25 0
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10822 108285 1 OSN2C14H17 ABC2D14E17 8.59 2.31 0.0 0.0 1
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10823 108289 1 SN2C14H17 AB2C14D17 47.47 4.15 0.0 0.0 1
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10824 108304 1 OCl2N2H16C18 AB2C2D16E18 55.32 4.87 -9.12 -0.43 0
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10825 108317 2 OC9H18 AB9C18 -175.65 2.11 -10.7 0.98 0
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10826 108327 1 N2O3H32C34 A2B3C32D34 -33.14 6.88 -8.2 -0.62 0
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10827 108330 1 SO4N5C25H35 AB4C5D25E35 -98.31 7.61 -9.43 -1.61 0
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10828 108333 1 ClON2C18H27 ABC2D18E27 -80.79 5.22 -9.1 0.16 0
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10829 108336 1 O3C12H20 A3B12C20 -158.54 3.91 -10.06 0.34 0
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10830 108340 1 C13H20 A13B20 0.78 0.21 -8.42 0.42 0
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10831 108344 1 O3N4C23H38 A3B4C23D38 -169.37 4.92 -9.83 0.3 0
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10832 108371 1 ClNOC15H20 ABCD15E20 -49.35 4.02 -8.84 -0.05 0
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10833 108389 1 NSO2C20H23 ABC2D20E23 -23.38 1.75 -8.42 -0.58 0
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10834 108394 1 BO9C21H45 AB9C21D45 -288.14 5.34 -9.41 -5.24 0
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10835 108410 1 O2C17H28 A2B17C28 -108.89 1.75 -9.43 0.9 0
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10836 108413 1 O2Cl3C10H15 A2B3C10D15 -129.65 3.36 -10.85 -0.43 0
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10837 108416 1 OC3H3F5 AB3C3D5 -307.16 1.8 -12.57 0.04 0
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10838 108443 1 OC12H14 AB12C14 -17.86 2.1 -9.36 0.28 0
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10839 108449 1 SF3N4C20H21 AB3C4D20E21 -74.89 7.15 -8.44 -1.28 0
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10840 108451 1 O2C11H20 A2B11C20 -134.08 2.06 -10.33 1.05 0
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10841 108471 1 O3C18H20 A3B18C20 -95.82 3.73 -8.49 -0.53 0
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10842 108472 1 NOH19C20 ABC19D20 31.39 2.59 -9.24 0.17 0
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10843 108475 1 NO3C13H15 AB3C13D15 -114.24 2.79 -9.58 0.18 0
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10844 108493 1 OSN2C19H22 ABC2D19E22 8.31 2.62 -7.88 -0.21 0
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10845 108509 1 SO2C5H12 AB2C5D12 -108.22 3.7 -9.03 0.29 0
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10846 108510 2 N2O2C25H49 A2B2C25D49 -379.46 11.23 -9.09 -0.38 0
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10847 108512 2 ClSN2C3H7 ABC2D3E7 -24.01 0.69 -9.54 -0.8 0
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10848 108514 2 O2C7H13 A2B7C13 -214.45 3.23 -10.73 -0.18 0
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10849 108515 2 O2C7H12 A2B7C12 -194.84 2.39 -9.02 -0.1 0
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10850 108516 1 ClON2C20H27 ABC2D20E27 -31.81 2.61 -8.72 0.24 0
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10851 108518 1 O2C11H22 A2B11C22 -141.75 2.2 -10.8 0.93 0
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10852 108522 1 SN2C12H15 AB2C12D15 47.75 2.27 0.0 0.0 1
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10853 108527 1 S3N4O11C20H22 A3B4C11D20E22 -319.56 10.81 -9.53 -1.48 0
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10854 108528 1 ClNSC9H10 ABCD9E10 14.2 3.55 -8.96 -0.23 0
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10855 108529 1 OC13H22 AB13C22 -43.72 4.98 -9.72 -0.73 0
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10856 108531 1 SO5C9H20 AB5C9D20 -256.15 8.61 -10.59 0.35 0
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10857 108536 2 SO4N5H15C17 AB4C5D15E17 -106.16 9.98 -8.9 -1.3 0
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10859 108541 1 NO3H17C23 AB3C17D23 -15.92 5.61 -9.04 -1.37 0
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10860 108545 1 ClOC9H17 ABC9D17 -87.36 2.46 -10.11 -0.12 0
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10861 108550 1 Cl4N4O4C39H48 A4B4C4D39E48 -158.45 5.12 -8.77 -0.93 0
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10862 108555 1 ClO3N4H17C18 AB3C4D17E18 8.89 3.36 -8.67 -1.32 0
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10863 108559 1 ClO2C10H19 AB2C10D19 -117.37 2.55 -10.01 0.37 0
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10864 108574 1 NO2C6H15 AB2C6D15 -94.35 2.71 -9.5 2.15 0
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10865 108583 1 ClNPO2S2C10H15 ABCD2E2F10G15 -145.03 2.0 -8.62 -0.5 0
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10866 108585 1 N2O6H26C33 A2B6C26D33 -114.38 4.65 -9.35 -1.47 0
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10867 108589 1 NOSC7H9 ABCD7E9 -23.42 1.5 -8.63 0.2 0
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10868 108590 2 OC5H7 AB5C7 -80.41 1.72 -8.53 0.3 0
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10869 108592 1 SN2O2C12H20 AB2C2D12E20 -103.37 0.89 -9.14 -1.22 0
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10870 108594 1 NOC14H20 ABC14D20 -19.06 2.29 0.0 0.0 1
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10871 108632 1 OC21H38 AB21C38 -75.24 3.14 -9.84 0.83 0
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10872 108633 2 NNaO3C9H16 ABC3D9E16 -343.35 11.84 -9.35 -0.37 0
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10873 108635 29 CH2 AB2 -118.87 0.2 -9.41 1.44 0
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10874 108636 1 O3N6H16C18 A3B6C16D18 103.41 7.99 -9.11 -1.74 0
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10875 108637 1 OC15H16 AB15C16 0.97 1.53 -9.32 0.3 0
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10876 108638 1 ClN2O2C3H9 AB2C2D3E9 -128.15 4.32 -10.14 0.19 0
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10877 108657 1 ClN2C8H11 AB2C8D11 14.73 3.16 -8.48 -0.12 0
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10878 108661 1 ClON2C10H13 ABC2D10E13 -23.84 3.71 -8.35 -0.1 0
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10879 108662 1 OC10H16 AB10C16 -34.98 3.33 -9.32 0.36 0
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10880 108665 1 ClNO3C19H24 ABC3D19E24 -121.33 3.32 -8.8 -0.25 0
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10881 108666 1 NO3C19H23 AB3C19D23 -82.5 2.81 -8.82 -0.02 0
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10882 108668 1 NO3C21H27 AB3C21D27 -93.28 3.77 -8.84 -0.02 0
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10883 108669 1 O2H4N4C5 A2B4C4D5 -14.31 5.91 -10.91 -1.33 0
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10884 108674 1 NCl3C8H18 AB3C8D18 -74.93 5.14 -9.12 0.83 0
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10885 108684 1 NSO2C19H22 ABC2D19E22 -38.99 8.21 0.0 0.0 1
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10886 108687 1 TiO2C6H13 AB2C6D13 -40.33 6.56 0.0 0.0 3
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10887 108688 1 BrS2O3N4H9C10 AB2C3D4E9F10 -24.35 2.69 -9.53 -1.5 0
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10888 108701 1 NH2Cl5C6 AB2C5D6 3.22 2.86 -10.34 -1.65 0
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10889 108703 1 O2N3C13H17 A2B3C13D17 -51.26 4.83 -8.53 -0.04 0
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10890 108711 1 ClN2O3C10H11 AB2C3D10E11 -26.76 5.26 -9.33 -1.5 0
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10892 108720 1 ClSN5C12H20 ABC5D12E20 30.88 4.24 -8.31 -0.31 0
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10893 108721 1 ClSN5C14H24 ABC5D14E24 14.97 5.17 -8.26 -0.25 0
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10894 108738 1 PO2C16H17 AB2C16D17 -61.11 2.37 -8.89 -0.05 0
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10895 108739 1 ClO2N4C16H17 AB2C4D16E17 67.42 9.7 -8.74 -1.6 0
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10896 108747 2 O2H7C8 A2B7C8 -122.15 2.71 -9.73 -0.99 0
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10897 108751 1 O3N4C14H18 A3B4C14D18 -74.19 4.77 -8.94 -0.08 0
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10899 108764 1 SO2C8H10 AB2C8D10 -72.34 1.43 -8.61 0.11 0
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10901 108819 1 BrPC23H26 ABC23D26 36.05 5.6 -8.57 -0.14 0
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10902 108863 1 SnO4C44H90 AB4C44D90 -352.19 6.42 -7.91 -0.72 0
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10903 108869 1 ClN2O2C10H13 AB2C2D10E13 -111.73 1.47 -8.55 -0.58 0