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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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379719 134461007 1 INO2H12C23 ABC2D12E23 17.29 5.25 -8.9 -2.25 0
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379720 134461185 1 O2N5H15C18 A2B5C15D18 46.37 4.39 -9.3 -0.92 0
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379721 134461212 1 O4N6H22C27 A4B6C22D27 37.68 9.16 -9.15 -1.25 0
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379722 134461243 1 O3N7H21C23 A3B7C21D23 51.76 6.49 -9.03 -1.12 0
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379723 134461255 1 O3N7H21C29 A3B7C21D29 119.95 6.18 -9.3 -1.41 0
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379724 134461314 1 FO2N8H17C25 AB2C8D17E25 96.19 9.04 -9.3 -1.55 0
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379725 134461437 1 SF3O3N7H24C27 AB3C3D7E24F27 -114.14 6.39 -8.91 -1.24 0
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379726 134461566 1 SF3O3N7H22C26 AB3C3D7E22F26 -83.33 13.96 -9.03 -1.26 0
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379727 134461611 1 SO3N6H20C25 AB3C6D20E25 67.52 8.75 -9.06 -1.29 0
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379728 134461612 1 SF3O3N7H22C26 AB3C3D7E22F26 -113.54 3.6 -8.94 -1.26 0
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379729 134461956 1 O3F6C53H54 A3B6C53D54 -369.72 7.43 -8.38 -1.09 0
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379730 134462490 1 ClNO3C22H28 ABC3D22E28 -114.32 4.39 -8.88 -0.27 0
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379731 134462953 1 FPN3C17H17 ABC3D17E17 42.25 4.5 -9.15 -0.45 0
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379732 134462954 1 N2C9H16 A2B9C16 30.87 4.02 -9.06 0.6 0
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379733 134462955 1 NO2C11H17 AB2C11D17 -35.97 5.15 -9.09 0.03 0
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379734 134462959 1 NOC15H27 ABC15D27 -40.62 2.86 -8.7 0.43 0
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379735 134463027 2 O3C10H13 A3B10C13 -233.11 7.45 -8.81 -0.91 0
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379736 134463041 1 BrN2O3H17C22 AB2C3D17E22 29.56 8.7 -9.8 -1.28 0
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379737 134463060 1 ClON2H17C21 ABC2D17E21 32.41 2.89 -9.47 -0.65 0
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379738 134463097 1 N13O30C54H93 A13B30C54D93 -1315.41 13.82 -8.82 -0.49 0
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379739 134463406 1 NSF3C21H22 ABC3D21E22 -133.55 4.98 -8.38 -0.08 0
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379740 134463532 1 SO2F3N3H18C22 AB2C3D3E18F22 -160.5 8.94 -8.51 -1.36 2
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379741 134463534 1 N4C9H22 A4B9C22 47.42 1.05 -7.88 2.3 0
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379742 134463565 1 N4F6H40C45 A4B6C40D45 -196.96 2.29 -8.07 -0.55 0
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379743 134463579 1 N2S4F12H72C77 A2B4C12D72E77 -501.46 2.92 -7.78 -0.8 0
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379744 134463696 1 N4O5H12C15 A4B5C12D15 -8.57 6.21 -9.17 -1.59 0
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379745 134463789 1 NC10H17 AB10C17 -9.09 1.53 -7.71 1.63 0
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379746 134463790 1 ClON4C14H15 ABC4D14E15 102.59 5.32 -8.93 -0.38 0
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379747 134463915 1 ClSO3N5C34H38 ABC3D5E34F38 26.28 35.24 -6.91 -2.07 0
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379748 134463958 1 ClSN4O5C39H45 ABC4D5E39F45 -160.91 3.53 -8.82 -1.01 0
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379749 134464114 1 ClS2O5N6C34H37 AB2C5D6E34F37 -88.95 9.77 -8.32 -1.38 0
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379750 134464228 2 NH20C29 AB20C29 248.37 3.16 -7.96 -0.56 0
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379751 134464264 1 N2O2C19H30 A2B2C19D30 -102.17 5.01 -9.13 -0.59 0
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379752 134464276 1 ClF2N3O3H20C21 AB2C3D3E20F21 -157.42 9.44 -8.68 -0.79 0
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379753 134464277 1 F2N3O3C22H23 A2B3C3D22E23 -137.74 9.19 -8.41 -0.96 0
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379754 134464774 1 SF2N3O8H25C29 AB2C3D8E25F29 -268.11 6.95 -8.78 -1.37 0
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379755 134464781 1 O2C15H20 A2B15C20 -73.55 1.08 -9.32 -0.26 0
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379756 134464788 2 OC7H8 AB7C8 -45.38 1.62 -9.58 -0.3 0
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379757 134464789 2 OC6H6 AB6C6 -49.32 1.72 -9.38 -0.3 0
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379758 134464796 1 SO2C22H30 AB2C22D30 -100.4 1.4 -8.06 -0.13 0
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379759 134464806 1 NO5C20H35 AB5C20D35 -200.46 3.14 -9.08 0.25 0
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379760 134464810 1 ClN3O3C17H24 AB3C3D17E24 -113.08 10.28 -8.86 -0.84 0
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379761 134464813 1 O4N6H50C53 A4B6C50D53 71.14 8.55 -8.65 -0.79 0
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379762 134464815 1 BrF2O3N6H49C52 AB2C3D6E49F52 -34.93 10.27 -8.72 -0.72 0
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379763 134464816 1 BrON2F5H10C16 ABC2D5E10F16 -227.57 8.29 -9.93 -1.37 0
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379764 134464821 1 BrFO3N6C50H50 ABC3D6E50F50 -9.85 6.38 -8.35 -0.49 0
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379765 134464822 1 OF2N2H16C20 AB2C2D16E20 -31.1 12.55 -7.96 -1.51 0
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379766 134464825 1 NH39C50 AB39C50 159.02 0.56 -7.87 -0.66 0
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379767 134464829 1 NH41C54 AB41C54 175.89 0.66 -7.94 -0.65 0
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379768 134464835 1 NOH33C42 ABC33D42 106.54 1.62 -7.94 -0.65 0
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379769 134464837 1 NH35C49 AB35C49 179.18 1.59 -7.95 -0.72 0
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379770 134464838 1 NH35C44 AB35C44 136.11 1.01 -7.9 -0.66 0
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379771 134464840 1 NH43C56 AB43C56 181.13 1.11 -7.88 -0.55 0
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379772 134464841 1 NH39C55 AB39C55 199.84 1.29 -7.93 -0.64 0
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379773 134464844 1 NH39C50 AB39C50 160.42 1.42 -8.02 -0.7 0
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379774 134464845 1 NH41C54 AB41C54 175.12 0.92 -7.97 -0.7 0
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379775 134464846 1 NH37C51 AB37C51 186.28 1.14 -7.98 -0.55 0
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379776 134464848 1 NH39C55 AB39C55 201.6 1.66 -8.0 -0.66 0
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379777 134464849 1 NH39C55 AB39C55 201.32 1.33 -7.94 -0.65 0
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379778 134464850 1 NOH37C53 ABC37D53 169.35 2.75 -8.03 -0.73 0
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379779 134464853 1 NH33C45 AB33C45 165.87 0.68 -8.05 -0.65 0
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379780 134464858 1 NSH33C47 ABC33D47 174.6 0.75 -8.04 -0.76 0
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379781 134464861 1 NOH37C53 ABC37D53 170.24 0.78 -8.0 -0.66 0
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379782 134464864 1 NH35C49 AB35C49 179.34 0.65 -7.96 -0.68 0
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379783 134464868 1 NSO2H37C53 ABC2D37E53 125.68 4.81 -7.95 -1.11 0
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379784 134464870 1 NSH37C53 ABC37D53 197.76 2.28 -8.01 -0.69 0
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379785 134464881 1 NH39C50 AB39C50 161.48 1.08 -8.06 -0.71 0
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379786 134464882 1 NSH37C53 ABC37D53 198.61 2.43 -8.09 -0.7 0
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379787 134464886 1 NH37C48 AB37C48 159.61 2.22 -7.9 -0.53 0
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379788 134464887 2 NH17C24 AB17C24 200.4 5.45 -8.1 -0.78 0
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379789 134464893 1 N2H38C53 A2B38C53 206.06 0.95 -7.93 -0.63 0
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379790 134464897 1 NH37C51 AB37C51 185.36 1.17 -7.99 -0.61 0
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379791 134464899 1 NSH37C53 ABC37D53 196.93 2.53 -7.96 -0.64 0
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379792 134464903 1 ClSO3N4C21H23 ABC3D4E21F23 -45.78 7.57 -8.63 -0.88 0
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379793 134464904 1 F2N8H20C21 A2B8C20D21 49.93 2.88 -8.58 -0.83 0