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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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387823 134987056 1 SO3C14H16 AB3C14D16 -97.13 6.4 -9.13 -0.56 0
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387824 134987058 1 SN2O2H6C8 AB2C2D6E8 -9.4 2.57 -9.7 -1.56 0
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387825 134987062 2 FNOC5H5 ABCD5E5 -120.8 5.08 -9.46 -1.53 0
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387826 134987063 1 NOS2C11H11 ABC2D11E11 1.14 6.4 -8.69 -0.75 0
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387827 134987064 1 NO2C15H19 AB2C15D19 -59.51 4.62 -8.61 -0.42 0
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387828 134987065 1 NO3C14H17 AB3C14D17 -87.29 1.3 -8.2 -0.45 0
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387829 134987076 1 NOC10H11 ABC10D11 -28.82 3.45 -8.9 -0.2 0
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387830 134987077 2 N2H5C7 A2B5C7 125.25 2.49 -9.59 -1.51 0
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387832 134987083 2 C4N5H8 A4B5C8 171.34 2.58 -8.13 -0.6 0
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387833 134987084 1 ClN2O2C10H11 AB2C2D10E11 -45.24 3.45 -9.2 -1.39 0
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387834 134987086 1 FNC14H16 ABC14D16 -23.05 3.63 -9.01 -0.74 0
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387835 134987087 1 ClON2H9C14 ABC2D9E14 37.15 3.06 -8.94 -1.32 0
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387836 134987089 1 ISN2C10H11 ABC2D10E11 80.26 3.2 -8.17 -0.96 0
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387837 134987092 1 NSO5H7C11 ABC5D7E11 -96.46 9.37 -9.06 -2.12 0
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387838 134987093 1 ON3C12H13 AB3C12D13 14.94 2.78 -8.13 -0.82 0
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387839 134987094 2 NC6H6 AB6C6 65.26 1.03 -9.6 -0.88 0
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387840 134987100 1 NCl2H9C11 AB2C9D11 24.16 4.76 -9.19 -1.19 0
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387842 134987108 1 BrNH10C12 ABC10D12 56.11 3.61 -9.13 -0.73 0
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387843 134987115 1 N3O3H7C9 A3B3C7D9 -52.31 1.34 -9.84 -1.6 0
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387844 134987116 1 SN3O3C11H11 AB3C3D11E11 -62.27 3.24 -8.85 -1.47 0
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387845 134987124 1 SeO4H10C12 AB4C10D12 -133.89 4.56 -9.2 -1.18 0
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387846 134987125 1 N2O3C11H18 A2B3C11D18 -91.18 8.44 -8.39 -0.06 0
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387847 134987126 1 N2C15H20 A2B15C20 16.2 2.36 -7.97 -0.21 0
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387848 134987129 1 OSH8C10 ABC8D10 16.56 4.82 -8.52 -1.47 1
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387849 134987130 1 OSH9C10 ABC9D10 -3.01 1.07 0.0 0.0 0
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387850 134987131 1 ClN4H9C13 AB4C9D13 107.82 7.22 -9.01 -1.44 0
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387851 134987133 1 O2N3C5H7 A2B3C5D7 31.9 4.93 -9.17 -1.3 0
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387852 134987134 1 NSH9C10 ABC9D10 41.64 2.7 -8.75 -0.58 0
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387853 134987136 1 ON4C8H10 AB4C8D10 2.34 4.02 -9.96 -1.01 1
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387854 134987138 1 NO2H10C11 AB2C10D11 -39.89 6.82 0.0 0.0 0
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387855 134987139 1 NO4H11C12 AB4C11D12 -120.16 4.3 -9.66 -1.53 0
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387856 134987143 1 N2O3C11H12 A2B3C11D12 -44.77 3.68 -8.24 -0.94 0
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387857 134987153 1 NO4C13H17 AB4C13D17 -163.97 2.83 -9.89 -0.76 1
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387858 134987155 1 NO2C8H12 AB2C8D12 -40.75 2.3 0.0 0.0 0
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387859 134987157 2 N2H6C7 A2B6C7 104.62 1.89 -9.11 -1.19 0
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387860 134987159 1 NO3C14H15 AB3C14D15 -105.78 6.39 -8.55 -1.2 0
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387861 134987171 1 N5H7C10 A5B7C10 145.32 2.49 -9.46 -1.22 0
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387863 134987175 1 N2O5C8H12 A2B5C8D12 -151.26 3.06 -10.12 -1.23 0
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387864 134987189 1 FN2O3H5C9 AB2C3D5E9 -52.98 3.02 -9.88 -2.17 0
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387865 134987194 1 ON4C11H12 AB4C11D12 18.29 4.16 -8.88 -0.85 0
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387866 134987197 1 ClN4C8H11 AB4C8D11 48.18 6.83 -8.95 -0.58 0
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387867 134987198 1 ON2H12C14 AB2C12D14 35.07 1.76 -8.78 -1.37 0
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387868 134987203 2 OH6C8 AB6C8 -22.69 6.34 -9.44 -0.68 0
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387869 134987206 1 SN2O4C11H16 AB2C4D11E16 -132.07 11.06 -8.11 -0.72 0
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387870 134987211 1 NS2O3H11C12 AB2C3D11E12 -78.21 4.45 -8.52 -1.82 0
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387871 134987213 1 NC14H17 AB14C17 18.77 2.36 -8.84 -0.56 0
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387872 134987215 1 NO2C13H15 AB2C13D15 -60.26 10.51 -8.41 -0.82 0
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387873 134987217 1 ON3C9H13 AB3C9D13 -11.54 4.76 -9.14 -0.57 0
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387874 134987226 1 OSH12C13 ABC12D13 6.52 4.6 -8.87 -1.0 0
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387875 134987228 1 SSeC16H22 ABC16D22 48.21 3.92 -8.05 -1.29 0
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387876 134987230 1 FOSH9C10 ABCD9E10 -49.97 1.28 -9.1 -0.78 0
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387877 134987231 1 ClNC13H18 ABC13D18 7.19 1.76 -8.55 0.2 0
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387878 134987235 1 FOSC11H11 ABCD11E11 -54.48 1.4 -9.08 -0.79 0
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387879 134987243 1 ISC10H19 ABC10D19 -9.7 2.49 -8.56 -0.97 0
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387880 134987246 1 NOC7H15 ABC7D15 -41.22 1.9 -9.03 1.36 0
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387881 134987258 2 PSeN2C5H12 ABC2D5E12 67.32 9.17 -8.37 -0.06 0
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387882 134987259 2 NPSeC6H13 ABCD6E13 38.95 5.51 -8.36 0.09 0
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387883 134987261 1 NC11H21 AB11C21 4.53 1.45 -8.4 1.82 0
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387884 134987262 1 NC12H23 AB12C23 -2.18 1.41 -8.24 1.9 0
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387885 134987263 1 ISN2C14H21 ABC2D14E21 49.61 6.68 -6.93 -0.78 1
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387886 134987264 1 SN2C14H21 AB2C14D21 36.6 2.57 0.0 0.0 0
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387887 134987273 1 N3C11H17 A3B11C17 50.53 1.17 -7.92 0.02 0
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387889 134987275 1 N3C8H17 A3B8C17 24.83 3.24 -8.02 0.97 0
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387890 134987284 1 N3O3C11H13 A3B3C11D13 -54.71 6.18 -9.48 -1.04 0
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387891 134987289 1 NOC12H15 ABC12D15 -23.97 1.45 -9.14 0.18 0
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387892 134987290 1 O3C10H18 A3B10C18 -147.93 2.64 -9.93 0.16 0
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387893 134987292 1 O3C14H16 A3B14C16 -104.61 4.58 -9.75 -0.09 0
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387894 134987298 1 IOC15H17 ABC15D17 -10.6 2.44 -9.28 -1.02 0
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387895 134987301 1 ClC8H11 AB8C11 -13.77 2.04 -9.44 0.84 0
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387896 134987303 1 ON2C8H12 AB2C8D12 27.85 5.86 -8.88 -0.05 0
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387897 134987315 1 OPCl2C8H11 ABC2D8E11 -81.41 8.17 -9.9 -0.56 0
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387898 134987320 1 SSeC16H16 ABC16D16 67.4 2.69 -8.32 -0.26 0
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387899 134987321 1 BrNOC6H10 ABCD6E10 -40.55 1.47 -9.05 -0.56 0
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387900 134987326 1 ClNC9H16 ABC9D16 -21.07 2.86 -8.52 0.9 0
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387901 134987328 1 ISC9H15 ABC9D15 4.42 3.16 -8.46 -0.79 0