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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133811 51593052 1 O3N4C23H32 A3B4C23D32 -120.16 3.23 -8.85 -0.7 1
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133812 51593138 1 OSN2C17H29 ABC2D17E29 -16.84 1.7 0.0 0.0 1
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133813 51593149 1 ClON4C18H26 ABC4D18E26 -14.36 6.31 0.0 0.0 1
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133814 51593150 1 SO2N4C17H25 AB2C4D17E25 -7.3 10.32 0.0 0.0 0
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133815 51593301 1 ON4C19H20 AB4C19D20 41.78 2.33 -8.98 -1.1 0
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133816 51593345 1 O2N5C21H27 A2B5C21D27 -33.45 4.38 -8.5 -0.15 0
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133817 51593439 1 O2N3C20H25 A2B3C20D25 -34.27 4.69 -8.6 0.03 0
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133818 51593840 1 N2O3C20H28 A2B3C20D28 -116.27 2.71 -8.8 -0.14 0
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133819 51593841 1 N2O3C20H28 A2B3C20D28 -115.87 6.76 -8.62 -0.03 0
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133820 51594682 1 ClO2N4C19H23 AB2C4D19E23 -36.07 2.19 -8.72 -0.79 1
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133821 51594900 1 SO2N6C17H29 AB2C6D17E29 -4.55 6.44 0.0 0.0 0
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133822 51595664 1 O2N3C23H29 A2B3C23D29 -29.89 4.01 -8.52 -0.11 1
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133823 51595665 1 O2N3C23H30 A2B3C23D30 -12.39 5.28 0.0 0.0 0
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133824 51595666 1 O2N3C23H29 A2B3C23D29 -29.59 3.41 -8.53 -0.13 1
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133825 51595667 1 O2N3C23H30 A2B3C23D30 -9.81 6.04 0.0 0.0 1
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133826 51595699 1 BrO2N4C21H26 AB2C4D21E26 -48.51 10.17 0.0 0.0 1
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133827 51595775 1 SN2O3C19H25 AB2C3D19E25 -31.46 7.23 0.0 0.0 0
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133828 51596289 2 ON2C9H11 AB2C9D11 2.89 3.54 -8.78 -0.82 0
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133829 51596944 1 SO2N3C12H19 AB2C3D12E19 -61.56 2.51 -9.67 -1.42 0
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133830 51596994 1 NO4C25H25 AB4C25D25 -89.83 4.13 -8.45 -0.05 0
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133831 51597067 1 F3O3N4H15C16 A3B3C4D15E16 -217.69 3.57 -8.69 -1.03 0
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133832 51597296 1 O2N5C23H33 A2B5C23D33 -59.13 8.28 -8.94 -0.3 0
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133833 51597365 2 NO2C11H12 AB2C11D12 -132.37 5.18 -8.4 -0.02 0
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133834 51597381 1 SN3O3C23H25 AB3C3D23E25 -58.16 11.0 -8.99 -0.71 0
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133835 51598147 1 N3O3C25H27 A3B3C25D27 -70.22 7.74 -9.05 -0.13 0
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133836 51598230 1 FO3N4C16H19 AB3C4D16E19 -107.48 4.91 -9.53 -0.42 1
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133837 51598567 1 FN3O3C22H29 AB3C3D22E29 -115.13 8.87 0.0 0.0 0
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133838 51599495 1 SN3O5C21H21 AB3C5D21E21 -151.74 8.35 -9.53 -1.45 0
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133839 51599496 1 SN4O4C24H26 AB4C4D24E26 -90.82 7.0 -9.25 -0.98 2
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133840 51599687 1 N3C21H35 A3B21C35 15.72 1.66 -8.36 -0.08 1
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133841 51599798 1 O2N4C20H33 A2B4C20D33 -75.26 4.63 0.0 0.0 0
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133842 51599917 1 ON5C15H25 AB5C15D25 -4.89 7.58 -8.17 0.31 1
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133843 51599918 1 ON5C15H26 AB5C15D26 19.0 4.34 0.0 0.0 1
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133844 51600228 1 N5C16H26 A5B16C26 78.54 8.86 0.0 0.0 0
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133845 51600229 1 FN4C17H19 AB4C17D19 32.59 5.57 -8.88 -0.33 0
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133846 51600230 1 FN4C17H19 AB4C17D19 32.27 5.82 -8.83 -0.39 1
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133847 51600231 1 N5C16H26 A5B16C26 62.51 5.82 0.0 0.0 1
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133848 51600361 3 C2N2H3 A2B2C3 127.37 12.0 0.0 0.0 1
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133849 51600428 1 FO2N3C24H33 AB2C3D24E33 -58.34 3.22 0.0 0.0 0
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133850 51600633 2 OSN3C9H16 ABC3D9E16 -98.03 7.53 -9.18 -0.2 0
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133851 51600947 1 N2O3C19H22 A2B3C19D22 -101.9 2.99 -8.92 -0.14 1
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133852 51601134 1 FN2C13H18 AB2C13D18 -15.6 3.74 0.0 0.0 0
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133853 51601157 1 F2N2H14C15 A2B2C14D15 -40.78 4.04 -8.6 -0.16 0
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133854 51601358 1 NO3C11H11 AB3C11D11 13.78 5.05 -10.22 -1.46 -1
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133855 51601605 1 ClFN3O5H10C18 ABC3D5E10F18 -118.32 10.53 0.0 0.0 0
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133856 51601612 1 OSN5H15C16 ABC5D15E16 99.66 5.46 -8.39 -1.0 1
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133857 51601683 1 FON4C26H32 ABC4D26E32 15.52 6.24 0.0 0.0 0
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133858 51602243 1 ClS2N4O4H15C19 AB2C4D4E15F19 -71.66 6.5 -9.3 -1.18 0
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133859 51602574 1 ON3C25H25 AB3C25D25 56.48 3.28 -8.41 -0.49 2
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133860 51602618 1 N3C12H23 A3B12C23 29.14 1.33 -8.94 -0.2 1
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133861 51602945 1 SO2N4C14H15 AB2C4D14E15 18.31 4.86 0.0 0.0 1
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133862 51602964 1 N3O4C23H28 A3B4C23D28 -95.64 5.47 0.0 0.0 -1
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133863 51603250 1 SO4N6C13H13 AB4C6D13E13 30.18 6.71 0.0 0.0 0
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133864 51603267 1 ClOSN5H18C20 ABCD5E18F20 48.47 4.54 -8.63 -0.83 0
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133865 51604536 1 S2N4O5C17H18 A2B4C5D17E18 -87.21 5.6 -8.97 -1.69 1
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133866 51604641 1 ClS2N5O5H17C19 AB2C5D5E17F19 -60.88 9.92 0.0 0.0 -2
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133867 51605055 1 ClN2S2O7H13C19 AB2C2D7E13F19 -23.73 20.85 -7.98 -4.44 0
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133868 51605109 1 FO2N4C21H27 AB2C4D21E27 -74.75 3.73 -8.92 -0.51 1
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133869 51605110 1 FO2N4C21H28 AB2C4D21E28 -52.53 1.41 0.0 0.0 0
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133870 51605111 1 FO2N4C21H27 AB2C4D21E27 -75.5 2.82 -8.89 -0.46 -2
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133871 51605535 1 NSCl3O4H8C17 ABC3D4E8F17 -5.58 13.28 -9.36 -3.85 1
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133872 51605851 1 ON3C17H30 AB3C17D30 -26.25 4.04 0.0 0.0 0
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133873 51605882 1 SN3O5C19H19 AB3C5D19E19 -107.88 3.66 -8.88 -1.3 1
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133874 51606016 1 SO4N5H16C19 AB4C5D16E19 -26.44 3.34 0.0 0.0 1
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133875 51606588 1 ON5C20H36 AB5C20D36 -10.48 3.08 0.0 0.0 1
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133876 51606589 1 ON5C20H36 AB5C20D36 -17.37 4.3 0.0 0.0 1
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133877 51606769 1 FO2N5C23H35 AB2C5D23E35 -75.27 8.88 0.0 0.0 -1
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133878 51607039 1 ClS2O3N4H14C17 AB2C3D4E14F17 14.85 2.99 0.0 0.0 0
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133879 51607735 1 FO3N4C26H31 AB3C4D26E31 -140.07 3.46 -8.58 -0.71 0
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133880 51607736 1 FN3O3C25H26 AB3C3D25E26 -116.74 3.01 -9.35 -0.52 1
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133881 51607954 1 N3O4C20H26 A3B4C20D26 -137.89 4.84 0.0 0.0 0
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133882 51608242 1 O2N7C26H39 A2B7C26D39 -58.18 2.26 -8.54 0.09 0
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133883 51608243 1 O2N7C26H39 A2B7C26D39 -57.54 3.94 -8.7 0.12 0
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133884 51608468 1 N3O5C21H23 A3B5C21D23 -199.65 4.32 -9.39 -0.67 0
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133885 51608469 1 N3O5C21H23 A3B5C21D23 -179.75 1.71 -9.3 -0.62 1
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133886 51608497 1 SO3N5C18H24 AB3C5D18E24 -60.7 13.65 0.0 0.0 2
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133887 51609161 1 ON4C26H40 AB4C26D40 46.79 17.1 -6.35 -0.82 1
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133888 51609256 1 BrSN3O3C15H17 ABC3D3E15F17 7.04 10.13 0.0 0.0 1
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133889 51609257 1 S2N3O3C19H26 A2B3C3D19E26 -61.66 6.58 0.0 0.0 0
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133890 51609497 1 SN3O5C21H25 AB3C5D21E25 -132.86 4.02 -8.32 -0.13 0
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133891 51609498 1 IN2O3H17C18 AB2C3D17E18 -57.89 2.25 -8.73 -0.83 -1
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133892 51610263 1 SO2N7H14C19 AB2C7D14E19 144.87 4.74 0.0 0.0 -1
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133893 51610264 1 O2S2N6H19C23 A2B2C6D19E23 63.41 7.08 0.0 0.0 -1
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133894 51610265 1 OSN7H16C17 ABC7D16E17 129.4 4.81 0.0 0.0 -1
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133895 51610266 1 O2S2N7H14C17 A2B2C7D14E17 112.62 6.84 0.0 0.0 -1
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133896 51610267 1 FS2O3N7H15C18 AB2C3D7E15F18 37.25 5.43 0.0 0.0 0
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133897 51610577 2 FON2H12C13 ABC2D12E13 -66.31 8.3 -8.96 -1.49 1
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133898 51610636 1 ClO3N4H20C23 AB3C4D20E23 -36.58 9.98 0.0 0.0 1
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133899 51610637 1 N4O5H23C24 A4B5C23D24 -96.61 10.62 0.0 0.0 0
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133900 51610702 1 SN4O4C24H36 AB4C4D24E36 -167.15 6.32 -8.73 -0.39 -1
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133901 51611161 1 ClN3O3H5C12 AB3C3D5E12 31.22 15.46 0.0 0.0 -1
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133902 51611162 3 NOH2C4 ABC2D4 37.18 16.29 0.0 0.0 1
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133903 51611163 1 ON2C19H27 AB2C19D27 -4.81 2.22 0.0 0.0 0
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133904 51611461 1 SF2O2N5C25H37 AB2C2D5E25F37 -188.62 2.48 -8.7 -0.46 0
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133905 51612520 1 NO5C21H31 AB5C21D31 -228.24 6.56 -8.85 -0.71 0
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133906 51612521 1 NO5C21H31 AB5C21D31 -223.83 6.87 -8.74 -0.64 0
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133907 51612529 1 SO2N6C21H34 AB2C6D21E34 -49.6 4.29 -9.24 -0.67 0
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133908 51612745 1 OS2N4C19H24 AB2C4D19E24 19.31 2.06 -8.63 -1.0 0
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133909 51612894 1 ClN2O3H19C21 AB2C3D19E21 -20.45 3.94 -9.01 -0.75 0
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133910 51612895 1 ClN2O3H19C21 AB2C3D19E21 -19.56 2.92 -9.0 -0.79 0