List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
268750 103600785 1 F2N3O3C12H13 A2B3C3D12E13 -120.24 5.53 -9.27 -1.22 0
268751 103600792 1 ClN3O4C12H14 AB3C4D12E14 -89.48 3.4 -10.22 -1.92 0
268752 103600795 1 ClNF2O3C10H10 ABC2D3E10F10 -203.15 6.85 -8.5 -0.44 0
268753 103600796 1 NOSF2C7H7 ABCD2E7F7 -114.4 2.63 -9.46 -0.63 0
268754 103600797 1 SN2O4C10H10 AB2C4D10E10 -58.07 4.09 -10.19 -2.15 0
268755 103600807 1 NF2O3C13H15 AB2C3D13E15 -196.49 3.44 -8.41 0.0 0
268756 103600808 1 NF2O3C11H11 AB2C3D11E11 -191.42 1.6 -8.95 -0.05 0
268757 103600815 1 NF2O2H13C15 AB2C2D13E15 -132.83 4.97 -9.07 -0.55 0
268758 103600816 1 NF2O2C11H13 AB2C2D11E13 -156.55 5.01 -9.15 -0.15 0
268759 103600824 1 N2O2C17H26 A2B2C17D26 -87.77 3.95 -8.85 0.16 0
268760 103600825 1 N2O2C17H26 A2B2C17D26 -81.38 4.86 -8.78 0.21 0
268761 103600826 2 NOC8H12 ABC8D12 -74.94 4.82 -8.83 0.17 0
268762 103600827 1 N2O3C16H24 A2B3C16D24 -109.44 4.1 -8.81 0.18 0
268763 103600829 1 NSO2C13H19 ABC2D13E19 -70.93 2.15 -8.59 0.12 0
268764 103600837 1 NO3C16H19 AB3C16D19 -82.12 1.09 -9.26 0.02 0
268765 103600841 2 NOC8H12 ABC8D12 -71.37 1.42 -8.43 0.07 0
268766 103600842 1 NO2C18H21 AB2C18D21 -43.25 1.01 -9.01 0.18 0
268767 103600843 1 NO2C18H21 AB2C18D21 -49.35 1.42 -9.3 0.05 0
268768 103600853 1 NO3C14H21 AB3C14D21 -125.61 3.9 -9.51 0.08 0
268769 103600855 1 N2O2C15H24 A2B2C15D24 -73.51 3.0 -8.79 0.13 0
268770 103600865 1 NO2C18H27 AB2C18D27 -92.91 1.55 -9.1 0.12 0
268771 103600871 1 N2O3C16H24 A2B3C16D24 -113.48 1.46 -8.7 -0.03 0
268772 103600876 1 NO3C16H23 AB3C16D23 -125.41 2.38 -9.08 0.09 0
268773 103600885 1 NO2C17H25 AB2C17D25 -92.61 1.4 -9.05 0.12 0
268774 103600887 1 NO3C15H19 AB3C15D19 -113.22 4.24 -9.34 -0.07 0
268775 103600888 1 FNO2C17H18 ABC2D17E18 -90.56 1.32 -9.41 -0.11 0
268776 103600891 1 N3O3C10H13 A3B3C10D13 -40.88 9.77 -9.29 -1.17 0
268777 103600893 1 ON2C11H20 AB2C11D20 -64.57 3.17 -9.31 1.21 0
268778 103600894 1 SO3N4C9H14 AB3C4D9E14 -95.19 5.11 -9.68 -1.19 0
268779 103600899 1 SO2N3C12H17 AB2C3D12E17 -90.05 2.0 -8.7 -0.29 0
268780 103600900 1 SO2N3C10H15 AB2C3D10E15 -81.52 5.41 -9.22 -0.53 0
268781 103600902 1 SO2N3C9H13 AB2C3D9E13 -80.15 1.41 -8.76 -0.35 0
268782 103600903 1 SO2N3C8H11 AB2C3D8E11 -75.55 1.5 -8.77 -0.36 0
268783 103600904 1 ISN3C9H10 ABC3D9E10 70.91 5.69 -8.69 -1.17 0
268784 103600905 1 BrNOC9H10 ABCD9E10 15.02 1.43 -9.61 -0.41 0
268785 103600906 1 SO3C15H16 AB3C15D16 -82.63 2.13 -9.04 -0.53 0
268786 103600907 1 NO2C18H21 AB2C18D21 -60.55 2.27 -8.29 -0.08 0
268787 103600912 1 SO2C14H20 AB2C14D20 -90.87 2.9 -8.86 -0.25 0
268788 103600913 1 SO3C12H16 AB3C12D16 -123.91 2.69 -9.21 -0.48 0
268789 103600916 1 NCl2O2H15C16 AB2C2D15E16 -57.8 4.37 -8.92 -0.39 0
268790 103600934 1 BrSO2H15C16 ABC2D15E16 -45.05 2.12 -9.14 -0.82 0
268791 103600935 1 SO2C14H20 AB2C14D20 -92.02 2.78 -8.86 -0.23 0
268792 103600944 1 BrClOSH14C15 ABCDE14F15 -3.62 4.02 -9.08 -0.51 0
268793 103600945 1 ClNOSC16H18 ABCDE16F18 -19.94 6.47 -8.33 -0.01 0
268794 103600946 1 ClSO2C17H17 ABC2D17E17 -47.73 5.78 -9.19 -0.57 0
268795 103600950 1 NSO4C15H21 ABC4D15E21 -159.5 4.69 -9.79 -1.06 0
268796 103600969 1 NSO4C15H21 ABC4D15E21 -153.64 6.6 -9.65 -1.04 0
268797 103600983 1 NSO4C15H23 ABC4D15E23 -165.68 6.14 -9.65 -1.01 0
268798 103600986 1 SN2O4C14H20 AB2C4D14E20 -129.37 6.02 -8.85 -0.96 0
268799 103600987 1 NSO4C15H21 ABC4D15E21 -158.08 3.3 -9.91 -0.91 0
268800 103601005 1 FSN2O5H9C12 ABC2D5E9F12 -121.21 6.34 -9.6 -1.58 0
268801 103601025 1 SN2C13H28 AB2C13D28 -46.16 6.11 -8.12 0.77 0
268802 103601026 1 SN2C14H30 AB2C14D30 -52.03 5.61 -8.2 0.24 0
268803 103601029 1 OSN2C15H32 ABC2D15E32 -90.67 4.31 -8.17 0.68 0
268804 103601030 1 OSN2C15H32 ABC2D15E32 -85.98 7.11 -8.2 0.54 0
268805 103601039 1 OSN2C14H30 ABC2D14E30 -86.31 5.78 -8.27 0.49 0
268806 103601041 1 SN2O2C15H24 AB2C2D15E24 -68.53 7.14 -8.32 0.19 0
268807 103601042 1 SN2O2C14H22 AB2C2D14E22 -62.86 2.98 -8.48 0.04 0
268808 103601053 1 ION2C10H13 ABC2D10E13 -3.93 3.2 -8.88 -0.88 0
268809 103601054 1 ION2C10H13 ABC2D10E13 -4.91 5.71 -8.98 -0.7 0
268810 103601055 1 ClSN2O2C13H21 ABC2D2E13F21 -69.99 5.67 -8.79 -0.89 0
268811 103601056 1 SN2O2C13H22 AB2C2D13E22 -59.73 6.44 -8.8 -0.47 0
268812 103601058 1 ClSN2O2C12H19 ABC2D2E12F19 -67.98 4.52 -8.89 -0.85 0
268813 103601061 1 BrNSO2C15H24 ABCD2E15F24 -85.55 4.53 -9.16 -0.97 0
268814 103601065 1 NO2S2C14H17 AB2C2D14E17 -32.45 4.7 -9.11 -0.58 0
268815 103601066 1 BrN4C10H13 AB4C10D13 59.0 2.2 -8.9 -0.1 0
268816 103601076 2 NOC8H11 ABC8D11 -51.58 6.89 -9.02 -0.03 0
268817 103601079 1 ClOC11H13 ABC11D13 -24.62 1.55 -8.78 0.37 0
268818 103601083 1 O3C14H20 A3B14C20 -126.06 2.81 -8.8 0.18 0
268819 103601092 1 ClSO2C11H13 ABC2D11E13 -81.26 1.41 -8.89 -0.38 0
268820 103601093 1 NOC13H17 ABC13D17 -12.69 3.29 -8.85 0.12 0
268821 103601095 1 SN2O2H14C15 AB2C2D14E15 -19.18 7.74 -8.91 -0.94 0
268822 103601109 1 O3C18H20 A3B18C20 -96.06 3.03 -8.66 -0.11 0
268823 103601118 1 O3C18H20 A3B18C20 -94.98 1.56 -8.82 -0.19 0
268824 103601120 1 SO2C18H20 AB2C18D20 -64.18 0.87 -8.66 -0.41 0