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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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144754 53408140 1 ClFNOC8H9 ABCDE8F9 -93.04 2.11 -9.31 -0.73 0
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144755 53408342 1 Br2O3H10C12 A2B3C10D12 -86.9 2.87 -9.18 -1.42 0
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144756 53408389 1 BrClN3H5C8 ABC3D5E8 54.45 2.05 -9.1 -1.29 0
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144757 53408502 1 ClNO2C11H14 ABC2D11E14 -104.48 5.06 -9.33 -0.19 0
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144758 53408810 1 FON2C11H17 ABC2D11E17 -80.83 2.47 -8.46 -0.09 0
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144759 53408811 1 FON2C10H15 ABC2D10E15 -71.57 3.18 -8.65 -0.06 0
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144760 53408812 1 N2O3C10H14 A2B3C10D14 -112.28 3.32 -9.22 -0.88 0
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144761 53408839 1 ClON3C8H12 ABC3D8E12 -24.11 3.22 -9.16 -0.76 0
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144762 53409110 1 BrO3C9H9 AB3C9D9 -106.17 4.65 -9.51 -0.68 0
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144763 53409193 1 BrClNOC12H15 ABCDE12F15 -44.72 1.82 -8.88 -0.18 0
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144764 53409310 1 NOC13H19 ABC13D19 -34.06 2.39 -8.59 0.25 0
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144765 53409420 1 NO2C13H19 AB2C13D19 -68.42 2.87 -8.81 0.3 0
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144766 53409436 1 INOC10H12 ABCD10E12 17.09 1.85 -9.34 -0.85 0
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144767 53409437 1 ClINOC12H17 ABCDE12F17 -45.5 3.57 -9.06 -0.76 0
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144768 53409979 1 ClNOC16H24 ABCD16E24 -55.42 1.97 -8.66 0.01 0
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144769 53410368 1 BrClFNO3C12H14 ABCDE3F12G14 -180.41 2.48 -9.26 -0.67 0
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144770 53410427 1 NO3C15H21 AB3C15D21 -122.17 1.81 -8.91 0.27 0
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144771 53410688 1 ClN2O2C6H15 AB2C2D6E15 -125.98 2.61 -9.18 0.87 0
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144772 53410938 1 N3O5C14H21 A3B5C14D21 -214.97 3.46 -9.66 -0.84 -1
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144773 53411053 1 O2C12H21 A2B12C21 -98.87 0.91 0.0 0.0 0
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144774 53411054 2 OC6H11 AB6C11 -120.11 5.04 -10.33 0.5 0
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144775 53411125 1 FO2H9C13 AB2C9D13 -43.23 2.95 -9.6 -1.29 0
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144776 53411367 1 NO5C17H23 AB5C17D23 -226.14 4.19 -9.09 0.16 0
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144777 53411368 1 N2O7C16H20 A2B7C16D20 -218.13 11.28 -9.85 -1.55 0
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144778 53411734 1 N2O5C18H26 A2B5C18D26 -217.42 5.24 -9.58 -0.26 0
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144779 53411907 1 ClNSO3C9H18 ABCD3E9F18 -164.91 4.75 -8.41 -0.08 0
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144780 53412573 1 BrN2H7C8 AB2C7D8 45.35 0.41 -8.93 -0.48 0
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144781 53412669 1 ClN2H7C8 AB2C7D8 37.62 5.95 -8.71 -0.4 0
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144782 53412670 1 ClN2H7C8 AB2C7D8 34.3 3.83 -8.73 -0.42 0
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144783 53412673 1 ON3H7C10 AB3C7D10 94.26 1.75 -10.36 -2.41 0
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144784 53412859 1 FN2H5C7 AB2C5D7 4.54 5.51 -9.13 -0.55 1
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144785 53412937 1 BrON2F3H3C5 ABC2D3E3F5 -153.89 6.2 0.0 0.0 0
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144787 53413552 1 NSO2C15H17 ABC2D15E17 -48.61 3.38 -8.97 -1.01 0
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144788 53413633 1 N2O2S2C9H12 A2B2C2D9E12 -34.87 2.37 -8.78 -0.69 0
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144789 53413634 1 ON2S2C14H14 AB2C2D14E14 23.43 4.96 -8.94 -0.73 0
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144790 53413663 1 SN3O3C19H23 AB3C3D19E23 -60.98 7.69 -8.61 -0.76 0
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144791 53413688 2 FNOH11C12 ABCD11E12 -123.71 10.04 -8.49 -0.32 0
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144792 53414149 2 NO2C12H13 AB2C12D13 -123.49 1.83 -8.74 0.0 0
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144793 53414708 1 O2F3N3H8C11 A2B3C3D8E11 -100.05 2.95 -10.41 -1.88 0
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144794 53414709 1 IOF3H4C8 ABC3D4E8 -147.16 3.89 -10.1 -1.6 0
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144795 53414710 1 N2O4C9H16 A2B4C9D16 -180.98 4.04 -10.15 0.17 0
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144796 53414777 1 NO4C18H25 AB4C18D25 -175.88 0.79 -9.52 0.15 0
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144797 53415189 1 ON2C7H16 AB2C7D16 -44.67 3.05 -9.08 2.03 0
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144798 53415328 1 BrNOH12C13 ABCD12E13 4.88 2.42 -9.19 -0.17 0
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144799 53415329 1 BrN2C11H15 AB2C11D15 28.39 3.32 -8.38 0.05 0
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144800 53415330 1 FNOC10H12 ABCD10E12 -63.16 4.17 -9.48 -0.52 0
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144801 53415522 1 NO3F5H14C20 AB3C5D14E20 -320.7 6.5 -9.68 -1.39 0
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144802 53415648 1 NOF3H16C19 ABC3D16E19 -137.04 5.47 -8.69 -0.66 0
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144803 53415719 2 NOC11H11 ABC11D11 -8.85 4.61 -8.59 -0.62 0
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144804 53415720 2 NOC11H11 ABC11D11 -8.67 4.94 -8.67 -0.58 0
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144805 53415721 1 SN2O2C16H18 AB2C2D16E18 -22.75 3.13 -8.58 -0.4 0
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144806 53415722 1 NSO2C17H19 ABC2D17E19 -30.94 4.33 -8.54 -0.34 0
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144807 53415723 1 N2O4H8C13 A2B4C8D13 3.27 2.49 -10.41 -2.14 0
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144808 53415776 1 ClNF3C5H9 ABC3D5E9 -196.33 3.61 -10.04 1.62 0
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144809 53415839 1 SO3H14C15 AB3C14D15 -63.92 2.92 -8.88 -0.72 -1
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144811 53415893 2 ClNH2C4 ABC2D4 49.14 3.42 -9.82 -1.56 0
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144812 53415894 1 Cl2N2H4C7 A2B2C4D7 73.5 2.85 -10.12 -1.6 0
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144813 53416941 1 ClNO2C15H20 ABC2D15E20 -85.11 2.63 -9.1 -0.16 0
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144814 53417050 1 FO2N3C6H6 AB2C3D6E6 34.91 4.33 -9.84 -1.69 0
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144815 53417051 1 FO2N3H6C7 AB2C3D6E7 -6.16 2.53 -10.24 -2.0 0
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144816 53417431 1 N2O2F3H7C8 A2B2C3D7E8 -210.88 5.35 -9.47 -1.14 0
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144817 53417732 1 ON2C12H16 AB2C12D16 -31.58 3.25 -9.44 0.11 0
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144818 53417733 1 ON2C11H14 AB2C11D14 -28.12 3.89 -9.49 -0.16 0
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144819 53418453 1 ClON3H10C13 ABC3D10E13 58.8 5.46 -8.87 -1.03 0
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144820 53418511 1 ClNO2H8C10 ABC2D8E10 -65.91 8.24 -8.98 -0.82 0
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144821 53419352 2 OF3H5C6 AB3C5D6 -398.02 4.68 -10.75 -1.23 0
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144822 53419356 1 Cl2O2C11H12 A2B2C11D12 -104.71 1.54 -9.43 -0.44 0
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144823 53419544 1 NO5C11H19 AB5C11D19 -239.2 6.4 -10.15 0.08 0
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144824 53419545 1 ClN2O4C12H15 AB2C4D12E15 -170.8 3.25 -9.66 -1.2 0
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144825 53419876 1 ClO2N6C14H17 AB2C6D14E17 51.49 6.63 -9.43 -1.4 0
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144826 53420311 1 ClN2F3H4C6 AB2C3D4E6 -138.76 3.86 -9.24 -1.02 0
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144827 53420312 2 NOC4H5 ABC4D5 -62.78 2.56 -9.02 -0.7 0
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144828 53420599 1 NPO5C10H22 ABC5D10E22 -308.15 5.67 -10.43 0.71 0
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144829 53420802 2 OC9H14 AB9C14 -79.96 5.02 -9.48 0.53 0
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144830 53420904 1 Cl2N2O2C13H18 A2B2C2D13E18 -23.49 28.05 -7.27 -3.4 -2
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144831 53421149 1 N2O6C9H20 A2B6C9D20 -103.48 4.18 -10.08 -7.48 0
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144832 53421323 1 NO2F4H7C8 AB2C4D7E8 -264.06 4.02 -8.97 -0.52 -1
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144833 53421883 1 NO3C8H16 AB3C8D16 -146.17 5.98 0.0 0.0 0
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144834 53422197 1 BrClNOH17C18 ABCDE17F18 -11.08 3.9 -9.1 -1.27 1
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144835 53422301 1 ICl4N4O4C31H35 AB4C4D4E31F35 -147.42 9.53 -7.05 -1.67 0
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144836 53422316 1 P2N6O15C21H26 A2B6C15D21E26 -642.85 21.75 -8.92 -1.44 0
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144837 53422442 2 NOC7H7 ABC7D7 -0.11 3.36 -7.97 -0.74 1
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144838 53422505 1 O2N3C9H16 A2B3C9D16 -43.92 4.53 0.0 0.0 0
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144839 53422506 2 OC7H9 AB7C9 -75.26 1.79 -9.2 -0.02 0
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144840 53422507 1 NO4C21H21 AB4C21D21 -98.97 4.03 -8.88 -1.1 -2
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144841 53422508 1 NSO4C16H21 ABC4D16E21 -118.43 1.59 -8.5 -0.01 0
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144842 53422509 1 H3C8F13 A3B8C13 -651.83 1.12 -11.56 -1.13 0
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144843 53422654 1 PO5C16H33 AB5C16D33 -351.35 2.81 -10.95 0.53 0
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144844 53422658 1 O3C32H40 A3B32C40 -77.69 4.42 -9.09 -0.77 0
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144845 53422659 1 IO2C21H39 AB2C21D39 -151.98 3.86 -9.49 -0.69 0
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144846 53422660 1 O3C32H40 A3B32C40 -77.74 1.99 -9.06 -0.78 0
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144848 53422849 1 OH36C45 AB36C45 144.8 3.08 -8.29 -0.47 0
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144849 53422976 1 NOCl2H7C11 ABC2D7E11 3.87 4.87 -9.34 -0.47 0
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144850 53423078 1 ClNOC19H24 ABCD19E24 -45.74 6.04 -9.51 -0.06 -1
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144851 53423079 1 Cl2O3C12H13 A2B3C12D13 -75.71 13.13 0.0 0.0 0
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144852 53423248 1 ClN3C11H14 AB3C11D14 4.36 5.11 -9.03 -0.14 0
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144853 53423602 2 NH10C12 AB10C12 116.3 4.64 -8.25 -0.34 0
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144854 53423793 1 N2C13H20 A2B13C20 2.85 2.58 -9.11 0.1 0
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144856 53424909 1 N2C15H16 A2B15C16 70.95 2.98 -8.76 0.05 0
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144857 53425001 1 O3H10C11 A3B10C11 -86.66 3.63 -9.14 -1.08 0