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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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387746 134986692 1 NOF3H8C13 ABC3D8E13 -135.49 4.79 -9.52 -1.2 0
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387747 134986697 1 O4C13H14 A4B13C14 -146.96 6.68 -9.51 -0.7 0
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387748 134986699 1 O2C15H30 A2B15C30 -148.39 2.52 -9.74 2.13 0
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387749 134986719 1 O3C13H18 A3B13C18 -98.23 3.84 -9.47 0.1 0
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387750 134986722 1 BrO3C9H13 AB3C9D13 -117.62 1.46 -10.47 -0.82 0
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387751 134986726 1 ClSiO2C12H23 ABC2D12E23 -164.36 3.17 -9.57 0.12 0
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387752 134986727 1 NOC14H27 ABC14D27 -62.5 4.21 -8.75 0.85 0
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387753 134986738 1 ClNO2C12H18 ABC2D12E18 -124.26 2.52 -9.74 0.13 0
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387754 134986742 1 O3C12H14 A3B12C14 -49.31 2.61 -9.26 -0.15 0
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387755 134986745 1 SiO2C15H32 AB2C15D32 -180.35 0.84 -8.73 0.82 0
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387756 134986746 1 N4O5C9H18 A4B5C9D18 -117.65 2.68 -9.28 -0.41 0
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387757 134986747 1 O3H10C13 A3B10C13 14.16 4.88 -8.98 -0.93 0
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387758 134986755 1 SSiN2O2C12H22 ABC2D2E12F22 -80.04 8.25 -8.97 -0.7 0
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387759 134986760 2 NOC6H7 ABC6D7 -16.44 3.64 -9.93 -0.78 1
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387760 134986761 1 N2O2C12H15 A2B2C12D15 -17.75 3.41 0.0 0.0 0
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387761 134986767 1 ClOSC10H19 ABCD10E19 -85.91 0.73 -9.04 -0.23 0
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387762 134986773 1 N2Cl3C9H15 A2B3C9D15 -20.6 1.12 -9.24 -0.56 0
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387763 134986775 1 NPO3C9H18 ABC3D9E18 -183.47 5.93 -9.6 1.13 0
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387764 134986798 1 SBr2Cl3H7C11 AB2C3D7E11 39.85 4.1 -9.1 -1.23 0
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387765 134986800 1 SSeC8H12 ABC8D12 48.84 2.6 -8.41 -0.27 0
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387766 134986802 1 N2O3C14H16 A2B3C14D16 -75.19 9.41 -9.34 -1.0 0
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387767 134986812 1 C13H16 A13B16 36.53 0.6 -9.13 0.32 0
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387768 134986822 1 S2C15H20 A2B15C20 35.51 2.3 -8.65 -0.31 0
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387769 134986844 1 OSCl2C7H10 ABC2D7E10 -51.06 3.05 -9.47 -1.55 0
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387770 134986850 1 NO3C13H19 AB3C13D19 -126.16 5.42 -10.32 0.18 0
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387771 134986854 2 OC6H9 AB6C9 -48.26 1.81 -9.13 0.21 0
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387773 134986859 1 O3C10H18 A3B10C18 -153.31 2.72 -9.61 1.98 0
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387774 134986860 1 BrNO2C9H10 ABC2D9E10 16.75 1.68 -10.17 -1.27 0
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387775 134986863 2 SC4H9 AB4C9 -32.78 2.75 -8.48 0.59 0
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387776 134986875 1 NC13H15 AB13C15 20.88 2.92 -8.98 -0.52 0
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387777 134986893 1 NSH15C16 ABC15D16 65.16 2.64 -8.07 -0.06 0
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387778 134986897 1 NOC12H15 ABC12D15 -36.25 3.57 -8.63 -0.03 0
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387779 134986904 1 NO2C13H15 AB2C13D15 -62.87 1.6 -8.43 -0.25 0
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387780 134986906 1 SN2O2C12H12 AB2C2D12E12 -23.38 2.84 -8.65 -0.45 0
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387781 134986908 1 O2N3H9C13 A2B3C9D13 39.53 3.52 -9.38 -1.36 0
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387782 134986913 1 INH10C12 ABC10D12 72.81 2.38 -9.21 -1.04 0
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387783 134986915 1 ON3C11H13 AB3C11D13 -6.3 5.11 -7.9 -0.67 0
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387784 134986916 1 IN2O2C9H15 AB2C2D9E15 -48.33 6.02 -8.4 -0.63 1
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387785 134986917 1 N2O2C9H15 A2B2C9D15 -55.48 3.2 0.0 0.0 0
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387786 134986918 1 ON2C14H16 AB2C14D16 -9.94 4.4 -8.7 -0.8 0
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387787 134986920 1 BPC15H26 ABC15D26 -29.85 2.26 -8.44 0.03 0
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387788 134986933 1 ION2C9H9 ABC2D9E9 35.28 4.12 -7.87 -1.96 0
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387789 134986936 1 NO4H11C13 AB4C11D13 -109.47 2.18 -9.24 -1.22 0
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387790 134986941 1 N2S2O3C12H18 A2B2C3D12E18 -116.99 4.93 -8.14 -0.94 0
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387791 134986942 1 NO3C14H17 AB3C14D17 -107.45 1.19 -8.47 -0.13 0
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387792 134986948 1 NBr2H9C12 AB2C9D12 54.29 5.33 -8.23 -1.55 0
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387793 134986951 1 NO2C10H11 AB2C10D11 -60.93 4.47 -8.87 -0.28 0
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387794 134986956 1 OSeH8C10 ABC8D10 -7.11 5.26 -8.77 -1.1 0
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387795 134986958 2 O2C7H8 A2B7C8 -133.98 3.2 -8.69 -0.28 0
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387796 134986959 1 O2N3C12H13 A2B3C12D13 -35.51 7.29 -9.19 -0.74 0
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387797 134986971 1 S2O3C13H14 A2B3C13D14 -92.02 7.36 -8.64 -0.97 0
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387798 134986984 1 PN2Cl3C5H6 AB2C3D5E6 -48.83 3.53 -9.52 -0.64 0
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387799 134986985 1 ClN3C8H12 AB3C8D12 21.65 3.21 -8.83 -0.57 0
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387800 134986992 1 S2O3C12H12 A2B3C12D12 -87.86 7.38 -8.65 -0.97 0
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387801 134986993 1 NSO2C14H15 ABC2D14E15 -60.03 3.37 -7.51 -0.01 0
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387802 134986994 1 O2N3C10H11 A2B3C10D11 -59.46 10.36 -9.24 -1.36 0
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387803 134986995 1 NOSH13C14 ABCD13E14 33.99 1.82 -8.69 -0.24 0
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387804 134986997 1 ON3C11H15 AB3C11D15 1.0 6.73 -9.37 -1.0 0
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387805 134986998 1 OSeH8C10 ABC8D10 0.37 4.3 -8.65 -0.83 0
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387806 134986999 1 OC5H5N5 AB5C5D5 80.69 3.04 -9.13 -1.02 0
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387808 134987006 1 N2O3C12H12 A2B3C12D12 -57.62 2.33 -9.36 -1.47 0
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387809 134987007 2 NO2H4C5 AB2C4D5 -21.05 2.56 -9.3 -1.93 0
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387810 134987009 3 PC5H5 AB5C5 89.06 2.71 -8.26 -1.18 0
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387811 134987010 1 NOCl2H7C13 ABC2D7E13 -6.34 4.19 -8.85 -1.14 0
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387812 134987014 1 BrNOC11H12 ABCD11E12 -26.94 5.69 -9.43 -0.63 0
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387813 134987015 2 N2C7H9 A2B7C9 81.67 7.88 -10.49 -1.75 0
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387814 134987017 1 O2N3C5H7 A2B3C5D7 30.18 5.35 -9.42 -1.31 0
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387815 134987029 1 NO2C11H11 AB2C11D11 -50.02 10.45 -8.42 -0.82 0
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387816 134987030 1 NOC11H13 ABC11D13 -28.99 3.17 -8.72 -0.07 0
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387817 134987033 1 ON3C12H15 AB3C12D15 48.88 4.24 -9.06 -0.68 0
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387818 134987035 1 N2Cl3H7C11 A2B3C7D11 48.13 2.61 -9.72 -1.4 0
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387819 134987036 1 ON2C12H12 AB2C12D12 2.4 3.65 -9.11 -0.71 0
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387820 134987042 1 ClN3H8C11 AB3C8D11 59.35 0.83 -8.96 -1.3 0
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387821 134987047 2 ON3C5H7 AB3C5D7 1.33 5.25 -8.33 -1.5 0
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387822 134987052 1 ClNOC12H14 ABCD12E14 -39.12 1.58 -9.31 -0.34 0