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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85825 49879598 1 FOSCl2N3C11H11 ABCD2E3F11G11 -21.65 3.32 0.0 0.0 -1
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85826 49879599 1 SCl2O2N3C15H16 AB2C2D3E15F16 14.53 4.15 0.0 0.0 -1
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85827 49879602 1 ClOSN3C12H15 ABCD3E12F15 26.38 5.69 0.0 0.0 -1
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85828 49879604 1 ClON4C17H22 ABC4D17E22 40.92 1.6 0.0 0.0 -1
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85829 49879611 1 ClN3C16H19 AB3C16D19 68.47 3.58 0.0 0.0 -1
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85830 49879612 1 ClOSN3C12H15 ABCD3E12F15 59.93 6.54 0.0 0.0 -1
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85831 49879616 1 ClON3C9H13 ABC3D9E13 19.01 2.93 0.0 0.0 -1
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85832 49879621 1 ClO2N4C23H24 AB2C4D23E24 2.05 0.83 0.0 0.0 -1
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85833 49879622 1 ClSO2N3C13H13 ABC2D3E13F13 -15.24 12.58 0.0 0.0 -1
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85834 49879661 1 ClN3C13H15 AB3C13D15 35.65 2.85 0.0 0.0 -1
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85835 49879664 1 ClN3C12H13 AB3C12D13 74.61 4.57 0.0 0.0 -1
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85836 49879667 1 ClSO2F3N3H14C15 ABC2D3E3F14G15 -166.0 4.19 0.0 0.0 -1
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85837 49879675 1 ClON2C19H24 ABC2D19E24 19.41 4.39 0.0 0.0 -1
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85838 49879678 1 ClN2O2C9H10 AB2C2D9E10 -25.0 4.04 0.0 0.0 -1
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85839 49879679 1 ClN2O2H16C18 AB2C2D16E18 5.39 1.3 0.0 0.0 -1
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85840 49879680 1 ClN2H16C17 AB2C16D17 91.25 4.44 0.0 0.0 0
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85841 49879681 1 N2S2O5H20C22 A2B2C5D20E22 -168.09 6.89 -8.99 -0.91 -1
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85842 49879682 1 ClN3H17C18 AB3C17D18 102.08 1.21 0.0 0.0 0
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85843 49879683 1 FN2S2O3H21C26 AB2C2D3E21F26 -103.29 6.89 -8.84 -0.64 -1
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85844 49879688 1 Cl3N3H9C14 A3B3C9D14 64.82 2.8 0.0 0.0 0
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85845 49879692 1 S2N3O3H25C27 A2B3C3D25E27 -47.95 4.94 -8.26 -0.51 -2
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85847 49879716 1 PN2O4H29C38 AB2C4D29E38 54.31 6.43 -7.99 -1.39 -1
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85848 49879720 1 BrN2C16H16 AB2C16D16 77.43 3.51 0.0 0.0 0
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85849 49879728 1 O2N5H19C21 A2B5C19D21 27.62 9.17 -8.0 -1.16 0
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85850 49879732 1 SCl2N4O5H16C24 AB2C4D5E16F24 -22.36 7.86 -8.89 -1.46 0
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85851 49879735 1 ClN2O3H19C21 AB2C3D19E21 -36.53 4.08 -8.99 -1.36 0
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85852 49879737 1 BrN4H13C20 AB4C13D20 156.04 3.2 -8.91 -1.26 0
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85853 49879738 1 SN3O4C25H25 AB3C4D25E25 -80.6 5.62 -8.92 -1.45 0
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85854 49879742 1 ON4H30C38 AB4C30D38 149.22 6.87 -8.52 -0.8 0
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85855 49879762 1 ClFN3O3H13C18 ABC3D3E13F18 -133.19 8.29 -9.38 -1.51 0
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85856 49879774 1 SN2Cl3O3H19C26 AB2C3D3E19F26 1.01 0.87 -9.2 -1.23 0
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85857 49879780 1 BrNO2H14C15 ABC2D14E15 -39.03 5.21 -8.65 -0.43 0
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85858 49879781 1 SN4O6C29H34 AB4C6D29E34 -147.51 4.15 -8.16 -1.37 0
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85859 49879782 1 BrSN2O7C31H33 ABC2D7E31F33 -184.91 5.11 -8.32 -1.18 0
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85860 49879785 1 N3O3H21C29 A3B3C21D29 48.74 10.3 -8.49 -1.31 0
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85861 49879786 1 ClO3N4H17C25 AB3C4D17E25 82.99 8.38 -9.08 -1.77 0
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85862 49879787 1 ClFON3H19C26 ABCD3E19F26 29.26 13.23 -8.78 -0.95 0
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85863 49879789 1 Cl2O2N3H21C24 A2B2C3D21E24 -1.4 10.98 -8.87 -0.93 0
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85864 49879795 1 ClN3O4H12C17 AB3C4D12E17 4.46 9.86 -9.37 -1.52 0
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85865 49879796 1 ClFN2O3H20C25 ABC2D3E20F25 -57.51 10.03 -8.84 -0.99 0
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85866 49879799 1 ClN2O3H11C17 AB2C3D11E17 -35.6 2.62 -9.58 -1.71 0
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85867 49879801 1 ClI2N2O2H11C17 AB2C2D2E11F17 43.21 4.34 -9.31 -1.45 0
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85868 49879814 1 BrO2N3C21H22 AB2C3D21E22 -23.12 4.89 -8.63 -0.77 0
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85869 49879817 1 SN2O2C16H16 AB2C2D16E16 -11.99 1.87 -8.17 -0.52 0
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85870 49879818 1 FN2O2H15C17 AB2C2D15E17 -59.48 2.87 -8.29 -0.82 0
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85871 49879819 1 N2O2C19H20 A2B2C19D20 -25.24 2.4 -8.23 -0.41 0
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85872 49879821 1 N2O3C19H20 A2B3C19D20 -58.52 1.28 -8.13 -0.45 0
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85873 49879822 1 O2N3C17H17 A2B3C17D17 -6.94 3.97 -8.2 -0.58 0
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85874 49879823 1 ClN2O2H17C18 AB2C2D17E18 -26.94 2.55 -8.2 -0.56 0
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85875 49879839 1 BrO3N6C14H17 AB3C6D14E17 45.41 2.95 -8.58 -0.93 0
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85876 49879840 1 SBr2N2O3H16C19 AB2C2D3E16F19 -31.69 6.3 -8.94 -1.13 0
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85877 49879843 1 O2N4C21H22 A2B4C21D22 -17.5 3.78 -8.26 -1.06 -1
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85878 49879855 1 ClON4H10C11 ABC4D10E11 140.02 3.83 0.0 0.0 -1
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85879 49879860 1 BrOSN3C11H13 ABCD3E11F13 39.14 7.36 0.0 0.0 -1
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85880 49879861 1 ClN2C12H14 AB2C12D14 62.52 4.19 0.0 0.0 -1
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85881 49879873 1 ClN2O2C23H32 AB2C2D23E32 -28.75 1.74 0.0 0.0 -2
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85883 49879891 1 ClN3O4C13H13 AB3C4D13E13 -54.67 3.48 0.0 0.0 -1
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85884 49879899 1 ClSO2N3C19H19 ABC2D3E19F19 30.15 4.36 0.0 0.0 -1
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85885 49879912 1 ClN4C19H22 AB4C19D22 106.3 4.78 0.0 0.0 -2
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85886 49879916 1 Cl2N3C15H21 A2B3C15D21 168.46 15.76 -7.86 -6.4 -1
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85887 49879917 1 ClON2H18C21 ABC2D18E21 68.72 4.86 0.0 0.0 -2
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85888 49879920 1 Cl2N3C15H21 A2B3C15D21 180.48 12.09 -8.2 -7.06 -1
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85889 49879922 1 ClN2O2H20C23 AB2C2D20E23 13.36 1.06 0.0 0.0 -1
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85890 49879924 1 ClON2C16H16 ABC2D16E16 48.55 3.64 0.0 0.0 -1
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85891 49879925 1 ClON2C13H16 ABC2D13E16 7.66 3.5 0.0 0.0 -1
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85892 49879932 1 ClON3C19H25 ABC3D19E25 22.51 2.65 0.0 0.0 -1
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85893 49879935 1 ClO2N3C13H15 AB2C3D13E15 13.12 6.31 0.0 0.0 -1
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85894 49879937 1 ClN3O4C13H13 AB3C4D13E13 -98.99 10.29 0.0 0.0 -1
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85895 49879952 1 ClNO5C22H23 ABC5D22E23 -152.18 12.83 0.0 0.0 -1
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85896 49879962 1 ClNF3O3H16C19 ABC3D3E16F19 -185.17 5.03 0.0 0.0 -1
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85897 49879988 1 ClON2C19H20 ABC2D19E20 43.55 3.27 0.0 0.0 -1
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85898 49879989 1 OCl2N2H17C18 AB2C2D17E18 36.11 2.93 0.0 0.0 -1
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85899 49879993 1 ClN2O2H16C17 AB2C2D16E17 -18.68 1.37 0.0 0.0 -1
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85900 49879994 1 ClN2O2H16C17 AB2C2D16E17 -28.04 7.93 0.0 0.0 -1
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85901 49879995 1 ClN2O2C18H18 AB2C2D18E18 -17.19 3.66 0.0 0.0 -1
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85902 49880001 1 ClON2H18C19 ABC2D18E19 37.06 2.33 0.0 0.0 -1
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85903 49880008 1 ClSBr2O2N3H17C19 ABC2D2E3F17G19 27.37 5.76 0.0 0.0 -1
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85904 49880012 1 BrNO5H17C19 ABC5D17E19 -81.64 1.32 0.0 0.0 -1
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85905 49880021 1 BrClO2N3C12H12 ABC2D3E12F12 29.74 4.33 0.0 0.0 -1
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85906 49880025 1 BrClO2N3H10C11 ABC2D3E10F11 -34.04 3.71 0.0 0.0 -1
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85907 49880026 1 BrClO2N3C14H16 ABC2D3E14F16 -16.09 3.2 0.0 0.0 -1
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85908 49880047 1 ClN2O2H16C17 AB2C2D16E17 8.97 2.51 0.0 0.0 -1
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85909 49880068 1 ClO2N4H14C20 AB2C4D14E20 36.84 8.74 0.0 0.0 -1
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85910 49880069 1 ClO2N4H14C20 AB2C4D14E20 62.9 7.03 0.0 0.0 -1
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85911 49880078 1 ClSN2O4C11H22 ABC2D4E11F22 -150.86 6.14 0.0 0.0 -1
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85912 49880108 1 ClN3O4C20H27 AB3C4D20E27 -104.2 4.12 0.0 0.0 -1
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85913 49880109 1 ClO2N5C19H19 AB2C5D19E19 109.38 9.44 0.0 0.0 -1
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85914 49880130 1 ClN2O6H20C22 AB2C6D20E22 -168.47 7.93 0.0 0.0 -1
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85915 49880131 1 ClN2O4H18C20 AB2C4D18E20 -82.84 3.64 0.0 0.0 -1
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85916 49880147 1 ClSO2N3C21H23 ABC2D3E21F23 24.21 5.66 0.0 0.0 -1
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85917 49880200 1 ClO2N5C21H25 AB2C5D21E25 91.45 10.8 0.0 0.0 -1
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85918 49880210 1 ClN2O5H20C21 AB2C5D20E21 -127.78 16.07 0.0 0.0 -1
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85919 49880211 1 ClN2O5C22H22 AB2C5D22E22 -96.91 10.61 0.0 0.0 -1
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85920 49880212 1 OCl2N3H16C21 AB2C3D16E21 78.17 4.17 0.0 0.0 -1
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85921 49880221 1 ClN4C19H20 AB4C19D20 118.11 3.0 0.0 0.0 -1
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85922 49880251 1 ClFSO2N3H14C16 ABCD2E3F14G16 -36.87 2.25 0.0 0.0 -1
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85923 49880263 1 ClO2N3C19H25 AB2C3D19E25 -21.85 1.42 0.0 0.0 -1
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85924 49880286 1 ClSO2N3H17C20 ABC2D3E17F20 51.56 5.84 0.0 0.0 -1
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85925 49880291 1 ClO2N4C15H20 AB2C4D15E20 4.28 5.7 0.0 0.0 -1
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85926 49880295 1 ClN4O5H16C17 AB4C5D16E17 -6.11 10.34 0.0 0.0 -1