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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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372792 131304863 1 FN2O2C10H11 AB2C2D10E11 -111.67 3.11 -9.46 -0.65 0
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372793 131304875 1 OSF4H4C9 ABC4D4E9 -211.03 3.87 -9.35 -1.26 0
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372794 131304924 1 O2S2H10C11 A2B2C10D11 -52.17 4.58 -8.91 -1.0 1
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372795 131304934 1 F2N2O3C8H11 A2B2C3D8E11 -199.07 3.27 0.0 0.0 0
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372796 131304957 1 SN2O3H4C9 AB2C3D4E9 32.12 2.66 -9.49 -1.62 0
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372797 131304967 1 NOSF3H4C10 ABCD3E4F10 -132.14 2.26 -9.2 -1.84 0
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372798 131304975 1 ISO2C11H11 ABC2D11E11 -29.32 2.21 -8.5 -0.86 0
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372799 131304979 1 ISO2C11H11 ABC2D11E11 -33.29 2.1 -8.52 -0.95 0
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372800 131305014 2 N3H4C5 A3B4C5 116.63 3.33 -9.42 -1.56 0
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372801 131305032 1 ClNSO2H6C10 ABCD2E6F10 -16.04 3.41 -9.54 -1.26 0
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372802 131305052 1 NO3C11H17 AB3C11D17 -140.98 1.45 -9.21 0.04 0
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372803 131305075 1 N2O2H8C11 A2B2C8D11 -17.82 4.96 -9.39 -0.83 0
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372804 131305082 1 N2O2H8C11 A2B2C8D11 -12.81 5.78 -9.22 -1.1 0
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372805 131305091 1 ON2F5H5C7 AB2C5D5E7 -264.88 4.18 -9.23 -1.07 0
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372806 131305103 1 INSF3H5C9 ABCD3E5F9 -105.6 3.85 -8.65 -1.32 0
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372807 131305157 1 BrN2O2H9C10 AB2C2D9E10 -48.81 7.49 -9.46 -0.97 0
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372808 131305173 1 ClOSF3H6C10 ABCD3E6F10 -175.74 4.67 -9.12 -1.38 0
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372809 131305183 1 SO2N3C10H15 AB2C3D10E15 -54.97 5.91 -9.83 -0.67 0
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372810 131305195 1 ClON2H11C12 ABC2D11E12 -2.03 5.37 -8.49 -0.58 0
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372811 131305197 1 ON3C9H9 AB3C9D9 38.21 5.06 -9.85 -1.13 0
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372812 131305200 1 NOC10H15 ABC10D15 -19.72 3.8 -11.02 0.88 0
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372813 131305215 1 ON2C9H16 AB2C9D16 -31.01 3.68 -9.61 0.74 0
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372814 131305226 1 ON2C9H16 AB2C9D16 -40.03 4.23 -8.47 1.16 0
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372815 131305234 1 BrNOSH8C11 ABCDE8F11 35.47 4.77 -8.93 -1.33 0
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372816 131305252 1 BrNOSH8C11 ABCDE8F11 33.04 3.71 -9.1 -1.43 0
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372817 131305253 1 BrNOSH8C11 ABCDE8F11 30.07 4.11 -8.9 -1.34 0
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372818 131305336 1 NSO4H7C10 ABC4D7E10 -36.04 3.87 -9.48 -2.27 0
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372819 131305380 1 FO2S2H7C10 AB2C2D7E10 -87.97 3.93 -9.15 -1.46 0
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372820 131305398 1 BrISF2H6C10 ABCD2E6F10 -50.58 1.18 -8.99 -1.2 0
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372821 131305444 1 ClNOSC11H12 ABCDE11F12 -21.9 3.04 -8.16 -0.3 0
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372822 131305496 1 SN2O2C11H16 AB2C2D11E16 -46.02 3.56 -9.31 -0.25 0
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372823 131305506 1 BrNSO2H4C10 ABCD2E4F10 -2.61 5.61 -9.62 -1.93 0
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372824 131305514 1 BrNSO2H4C10 ABCD2E4F10 -4.45 6.73 -9.65 -1.71 0
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372825 131305530 1 BrN5H6C8 AB5C6D8 100.2 2.83 -9.62 -1.35 0
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372826 131305531 1 BrN5H6C8 AB5C6D8 106.57 3.47 -9.61 -1.33 0
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372827 131305544 1 ClSN3C10H10 ABC3D10E10 60.81 4.53 -9.51 -0.89 0
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372828 131305547 1 ClSN3C10H10 ABC3D10E10 58.33 1.75 -9.53 -0.81 0
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372829 131305557 1 ClN2O3C9H9 AB2C3D9E9 -33.41 6.55 -9.73 -1.6 0
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372830 131305559 1 ClINOC9H9 ABCDE9F9 -13.84 3.38 -9.27 -1.14 0
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372831 131305561 1 BrN2O3C9H9 AB2C3D9E9 -20.35 5.46 -9.64 -1.6 0
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372832 131305597 1 ClNO2C11H14 ABC2D11E14 -81.29 4.3 -8.88 -0.24 0
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372833 131305606 1 NO2C11H15 AB2C11D15 -73.27 4.27 -9.1 0.03 0
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372834 131305676 1 ClNSF3O4H5C7 ABCD3E4F5G7 -305.92 3.27 -10.07 -1.68 0
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372835 131305712 1 O3C9H14 A3B9C14 -121.36 3.83 -10.09 -0.41 0
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372836 131305759 1 ON3C12H21 AB3C12D21 -45.82 1.53 -8.5 1.01 0
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372837 131305801 1 NSO4H7C10 ABC4D7E10 -20.27 9.91 -9.28 -1.57 0
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372838 131305807 1 BrClNO2C11H13 ABCD2E11F13 -80.82 5.56 -9.77 -0.75 0
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372839 131305820 1 SO3H10C12 AB3C10D12 -81.24 4.05 -8.7 -1.18 0
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372840 131305821 1 SO3H10C12 AB3C10D12 -82.53 5.59 -8.69 -1.62 0
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372841 131305823 1 SO3H10C12 AB3C10D12 -85.26 8.83 -8.93 -1.25 0
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372842 131305827 1 SO3H10C12 AB3C10D12 -81.87 5.59 -8.98 -1.23 0
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372843 131305834 1 SBr2O2H8C11 AB2C2D8E11 -45.18 1.48 -9.07 -1.35 0
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372844 131305855 1 ClON2C12H13 ABC2D12E13 -12.94 4.18 -9.09 -0.56 0
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372845 131305874 1 SO3H10C12 AB3C10D12 -78.34 4.53 -8.7 -1.43 0
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372846 131305880 1 SO3H10C12 AB3C10D12 -76.52 2.4 -8.92 -1.45 0
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372847 131305932 1 ClNSO2C11H12 ABCD2E11F12 -53.9 3.5 -10.83 -1.35 0
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372848 131305969 1 IN2O3H5C9 AB2C3D5E9 39.49 5.04 -10.45 -2.04 0
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372849 131305978 1 BrOSF2H9C11 ABCD2E9F11 -110.19 3.31 -8.94 -0.86 0
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372850 131305988 1 ClNF2C12H14 ABC2D12E14 -94.96 2.09 -9.6 -0.86 0
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372851 131306012 1 NSO2H9C11 ABC2D9E11 -13.05 5.78 -8.69 -1.13 0
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372852 131306013 1 NSO2H9C11 ABC2D9E11 -14.92 5.35 -9.16 -0.9 0
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372853 131306016 1 NSO2H9C11 ABC2D9E11 -14.71 4.0 -9.09 -0.93 0
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372854 131306017 1 NSO2H9C11 ABC2D9E11 -14.71 6.7 -8.87 -1.28 0
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372855 131306020 1 NSO2H9C11 ABC2D9E11 -15.36 5.31 -9.01 -1.14 0
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372856 131306023 1 NOC14H17 ABC14D17 -12.52 2.7 -8.47 -0.35 0
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372857 131306043 1 BrN2O2H9C11 AB2C2D9E11 -31.37 5.15 -10.1 -1.29 0
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372858 131306079 1 OSN3H5C6 ABC3D5E6 68.71 2.32 -8.69 -0.97 0
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372859 131306090 1 OSN3H5C6 ABC3D5E6 64.65 3.3 -8.63 -1.06 0
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372860 131306103 1 NSO4H7C10 ABC4D7E10 -41.74 5.02 -9.65 -1.98 0
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372861 131306128 1 NSO2H7C11 ABC2D7E11 -3.93 4.98 -9.31 -1.29 0
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372862 131306145 1 NOSF3H8C10 ABCD3E8F10 -171.38 2.06 -8.69 -1.08 0
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372863 131306160 1 NSF3H10C11 ABC3D10E11 -134.44 4.89 -8.51 -0.77 0
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372864 131306207 1 ClOSC13H15 ABCD13E15 -32.06 2.17 -8.26 -0.52 0
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372865 131306246 1 BrISO3H6C10 ABCD3E6F10 -59.18 5.94 -9.33 -1.54 0
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372866 131306272 1 BrClOSH10C11 ABCDE10F11 -14.53 3.18 -8.64 -0.61 0
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372867 131306277 1 BrClOSH10C11 ABCDE10F11 -14.56 2.85 -8.53 -0.91 0
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372868 131306291 2 OC7H9 AB7C9 -85.32 4.0 -8.87 0.17 0
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372869 131306295 1 BrO2H9C10 AB2C9D10 -66.54 3.1 -9.3 -0.41 0
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372870 131306333 1 NO3C8H15 AB3C8D15 -144.38 0.85 -8.88 0.49 0
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372871 131306354 1 ClFS2O3H4C6 ABC2D3E4F6 -145.35 2.6 -9.59 -1.75 0
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372872 131306359 2 FOC4H4 ABC4D4 -152.6 1.82 -8.94 -0.37 0
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372873 131306374 1 NSO4H7C10 ABC4D7E10 -33.58 5.41 -9.54 -1.98 0
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372874 131306418 1 O3F4H6C9 A3B4C6D9 -317.69 4.65 -10.4 -1.44 0
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372875 131306420 1 O3F4H6C9 A3B4C6D9 -314.2 6.78 -10.4 -1.44 0
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372876 131306490 1 ClSN2H9C11 ABC2D9E11 50.6 2.11 -8.54 -0.99 0
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372877 131306493 1 ClSN2H9C11 ABC2D9E11 48.53 2.85 -8.39 -0.94 0
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372878 131306519 1 SN3C12H15 AB3C12D15 45.1 4.86 -9.22 -0.98 0
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372879 131306523 1 FOSC11H13 ABCD11E13 -80.24 2.21 -8.68 -0.54 0
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372880 131306525 1 FOSC11H13 ABCD11E13 -80.87 0.93 -8.78 -0.55 0
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372881 131306540 1 F2O3C10H10 A2B3C10D10 -200.05 3.92 -9.73 -0.78 0
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372882 131306548 1 BrNSO2H4C10 ABCD2E4F10 -2.32 4.66 -9.68 -2.02 0
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372883 131306551 1 SO3C12H16 AB3C12D16 -120.31 3.62 -8.97 -0.37 0
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372884 131306555 1 SCl3O4H7C9 AB3C4D7E9 -155.01 6.56 -10.4 -2.15 0
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372885 131306556 1 FNO3C10H10 ABC3D10E10 -152.75 3.59 -9.48 -0.51 0
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372886 131306557 1 BrNO3C10H10 ABC3D10E10 -101.53 3.52 -9.45 -0.67 0
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372887 131306563 1 NOSF3C10H10 ABCD3E10F10 -179.83 3.5 -9.61 -1.07 0
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372888 131306576 1 BrN2O3H7C9 AB2C3D7E9 -90.52 6.23 -9.68 -1.04 0
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372889 131306600 1 ClFO3H8C10 ABC3D8E10 -157.73 3.55 -10.29 -1.3 0
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372890 131306603 1 ClFO3H8C10 ABC3D8E10 -160.81 3.21 -10.36 -1.35 0
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372891 131306610 1 BrO2C10H17 AB2C10D17 -110.11 2.98 -9.77 -0.12 0