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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393822 135021784 1 ON2C26H27 AB2C26D27 53.26 2.68 0.0 0.0 0
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393823 135021785 1 SN2C20H22 AB2C20D22 49.2 6.13 -8.2 -0.78 0
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393825 135021793 2 OC10H18 AB10C18 -138.35 0.71 -9.49 1.05 0
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393827 135021795 1 NO4C15H19 AB4C15D19 -145.93 2.55 -9.51 0.03 0
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393828 135021796 1 NO4C20H27 AB4C20D27 -161.57 3.35 -9.46 -0.06 0
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393829 135021797 2 OC8H9 AB8C9 -62.48 3.57 -9.35 -0.24 0
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393830 135021798 1 BrNO3C18H20 ABC3D18E20 -89.59 4.12 -7.98 -0.47 0
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393832 135021800 1 N3C14H15 A3B14C15 125.95 3.56 -9.24 -0.2 0
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393833 135021801 1 NO4C14H19 AB4C14D19 -156.28 2.52 -9.72 -0.67 0
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393834 135021802 1 O6C11H14 A6B11C14 -180.12 3.3 -10.5 -0.19 0
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393835 135021803 2 SO4C10H11 AB4C10D11 -260.36 1.7 -9.61 -0.64 0
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393836 135021804 2 ON2C7H13 AB2C7D13 -41.94 1.74 -8.65 1.08 -2
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393837 135021805 2 AuClON2C7H10 ABCD2E7F10 83.48 19.21 -7.96 -2.08 0
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393838 135021806 2 ON2C7H11 AB2C7D11 3.21 3.72 -8.3 0.81 0
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393840 135021808 1 N3O3H21C26 A3B3C21D26 -21.83 3.74 -9.34 -0.77 0
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393841 135021809 1 O2C19H32 A2B19C32 -138.92 5.86 -9.61 0.5 0
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393843 135021811 1 OC21H36 AB21C36 -66.47 2.28 -9.68 1.23 0
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393845 135021813 1 OC22H38 AB22C38 -75.45 2.37 -9.5 1.15 0
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393847 135021817 1 NO2C14H21 AB2C14D21 -55.93 4.61 -10.27 -0.39 0
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393848 135021819 2 NO2H24C28 AB2C24D28 -43.1 0.65 -9.15 -2.14 0
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393849 135021824 1 NOC16H23 ABC16D23 -37.56 3.27 -9.51 0.2 0
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393850 135021825 1 NO4C15H19 AB4C15D19 -151.33 5.26 -9.57 -0.23 0
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393851 135021826 1 PK2N3O31C46H76 AB2C3D31E46F76 -1520.67 16.34 -9.15 -0.76 0
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393852 135021827 1 PN3O31C46H78 AB3C31D46E78 -1444.12 12.85 -9.68 0.08 0
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393853 135021828 1 ON3C15H15 AB3C15D15 48.09 6.19 -9.26 -0.57 0
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393854 135021829 2 SH11C13 AB11C13 91.65 3.26 -8.36 -0.34 0
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393855 135021830 1 ClO3H11C14 AB3C11D14 -82.69 4.73 -9.82 -1.05 0
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393856 135021831 1 NSO2C8H9 ABC2D8E9 -26.74 5.38 -10.52 -0.82 0
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393858 135021834 2 OH9C11 AB9C11 42.12 3.69 -9.44 -1.45 0
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393859 135021835 2 OH11C12 AB11C12 21.72 5.07 -8.97 -1.35 0
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393860 135021836 2 O2H11C12 A2B11C12 -39.16 5.73 -8.84 -1.35 0
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393861 135021837 1 NH21C25 AB21C25 86.28 2.49 -9.21 -0.16 0
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393862 135021838 1 NOSiC23H43 ABCD23E43 -137.44 2.49 -8.01 0.74 0
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393863 135021839 1 FNC23H30 ABC23D30 -37.44 0.67 -8.14 -0.06 0
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393864 135021840 1 NO5C18H23 AB5C18D23 -186.49 2.09 -9.17 -0.23 0
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393866 135021842 1 BrNO4C10H10 ABC4D10E10 -97.62 3.76 -8.88 -0.72 0
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393867 135021843 2 N2O3C9H13 A2B3C9D13 -191.01 5.57 -9.02 -0.07 0
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393868 135021844 1 N4O5C13H22 A4B5C13D22 -176.58 2.25 -9.77 -0.35 0
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393869 135021845 5 NC5H5 AB5C5 107.25 3.96 -8.87 -1.06 0
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393870 135021846 1 OS2N3C31H35 AB2C3D31E35 37.02 1.89 -8.93 -1.37 0
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393871 135021847 1 O2N3H13C15 A2B3C13D15 75.87 5.36 -8.74 -1.2 0
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393872 135021848 2 O2C7H8 A2B7C8 -105.77 4.14 -9.79 -0.64 0
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393873 135021879 2 OC11H13 AB11C13 -26.61 3.66 -8.89 0.18 0
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393874 135021884 2 OH8C10 AB8C10 30.75 5.33 -8.87 -1.62 0
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393875 135021889 1 OP2H34C39 AB2C34D39 82.87 3.59 -8.0 -0.04 0
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393876 135021890 1 OC15H26 AB15C26 -90.7 2.58 -8.77 1.58 0
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393877 135021895 1 ClNO7H16C18 ABC7D16E18 -200.6 5.06 -9.42 -1.09 0
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393878 135021896 1 NO7H21C24 AB7C21D24 -161.84 7.09 -9.3 -1.04 0
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393879 135021897 1 NO7H19C23 AB7C19D23 -147.25 2.32 -9.3 -1.38 0
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393880 135021900 1 NO6H23C25 AB6C23D25 -176.32 2.84 -9.07 -1.22 0
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393882 135021903 1 OC19H22 AB19C22 -15.52 1.41 -9.25 0.34 0
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393883 135021904 1 ClOC20H23 ABC20D23 -26.96 2.77 -9.23 0.03 0
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393884 135021905 1 ClOC25H25 ABC25D25 2.36 3.04 -9.21 0.03 -1
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393885 135021907 1 ON3C9H16 AB3C9D16 -1.3 3.51 0.0 0.0 0
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393886 135021908 1 ON3C9H17 AB3C9D17 -20.48 2.46 -9.51 0.33 0
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393887 135021914 1 N2O4H16C17 A2B4C16D17 -51.26 1.99 -9.62 -1.43 0
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393888 135021915 1 O2N3H13C15 A2B3C13D15 31.27 1.47 -8.44 -0.86 0
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393889 135021916 1 ClS2H19C22 AB2C19D22 77.63 1.29 -8.72 -0.67 0
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393890 135021917 1 F2N2O3C14H14 A2B2C3D14E14 -202.1 4.74 -9.83 -1.11 0
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393891 135021918 1 N2O2C19H19 A2B2C19D19 0.51 3.77 0.0 0.0 0
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393892 135021919 1 NO7C24H31 AB7C24D31 -270.92 6.24 -8.18 -0.14 0
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393893 135021920 2 ON2C10H10 AB2C10D10 12.62 6.26 -8.61 -0.86 0
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393894 135021921 2 O2C12H15 A2B12C15 -130.21 1.58 -9.65 -0.81 0
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393895 135021922 2 ClOH6C8 ABC6D8 -43.89 3.21 -9.6 -1.05 0
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393896 135021923 1 ClFO2H14C17 ABC2D14E17 -90.52 2.83 -9.54 -0.87 0
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393897 135021924 1 PO2C20H23 AB2C20D23 -49.77 6.31 -7.36 -0.39 0
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393898 135021925 2 NOC13H14 ABC13D14 41.56 8.54 -8.1 -1.2 0
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393899 135021926 1 NO5C18H23 AB5C18D23 -171.64 6.33 -9.7 -0.19 0
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393900 135021927 6 OC3H4 AB3C4 -226.6 0.44 -9.23 -0.49 0
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393901 135021928 1 O13C45H82 A13B45C82 -709.38 3.08 -9.51 0.27 0
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393902 135021929 1 O13C40H74 A13B40C74 -705.65 4.42 -10.46 0.26 0
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393903 135021934 1 NO4H9C10 AB4C9D10 -83.32 3.83 -8.68 -0.56 0
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393904 135021935 1 C11H14 A11B14 26.05 0.76 -8.89 0.43 0
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393905 135021936 2 O2C7H11 A2B7C11 -160.98 3.02 -9.17 0.88 0
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393906 135021937 1 NSO3H17C18 ABC3D17E18 -77.98 4.02 -9.0 -0.57 0