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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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179885 76549516 1 OSN4H6C7 ABC4D6E7 69.06 1.91 -9.15 -1.31 0
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179886 76549698 1 NO5C7H11 AB5C7D11 -204.64 2.14 -10.23 -1.31 0
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179887 76550140 1 AuC2H5 AB2C5 71.68 0.22 -9.15 -0.78 0
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179888 76550141 1 SN28O36C115H176 AB28C36D115E176 -1335.47 16.36 -8.47 -0.24 0
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179889 76550142 1 NO4C31H39 AB4C31D39 -82.8 5.38 -6.85 0.49 0
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179890 76550223 1 OC12H20 AB12C20 -76.13 2.53 -9.16 1.52 0
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179891 76550466 1 F3O3N8H21C23 A3B3C8D21E23 -104.09 4.29 -9.33 -1.45 0
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179892 76550467 1 ClF3O3N8H20C23 AB3C3D8E20F23 -114.62 2.24 -9.44 -1.74 0
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179893 76551046 2 FN2O3C15H20 AB2C3D15E20 -346.15 3.92 -9.2 -0.62 0
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179894 76551047 1 F4N6O8C65H96 A4B6C8D65E96 -584.1 3.21 -8.72 -0.48 0
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179895 76551088 1 NO5C63H123 AB5C63D123 -505.13 4.85 -9.98 0.46 1
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179896 76552321 1 ClN4O4C20H22 AB4C4D20E22 -88.28 3.38 0.0 0.0 1
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179897 76552368 1 O3N7C22H34 A3B7C22D34 -91.12 3.1 0.0 0.0 0
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179898 76552369 1 O5N7C26H33 A5B7C26D33 -134.43 3.12 -8.99 -1.07 0
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179899 76552370 2 ON3C5H8 AB3C5D8 -25.06 3.63 -9.81 -0.41 0
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179900 76552371 1 O5N7C26H33 A5B7C26D33 -137.0 10.3 -9.07 -0.8 0
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179901 76552508 1 FN5O7C29H34 AB5C7D29E34 -260.39 2.41 -9.73 -1.27 0
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179902 76552509 1 BrFN4O7C27H32 ABC4D7E27F32 -276.4 7.89 -9.17 -1.18 0
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179903 76552510 1 BrFN4O7C28H34 ABC4D7E28F34 -289.34 2.83 -9.2 -1.25 0
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179904 76552511 1 FN5O7C29H34 AB5C7D29E34 -259.98 10.62 -9.59 -1.09 0
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179905 76552721 1 OSF3N3H18C23 ABC3D3E18F23 -96.72 4.07 -8.59 -1.24 0
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179906 76553239 1 SF2O2N6C23H26 AB2C2D6E23F26 -56.37 4.01 -9.05 -0.57 -1
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179907 76553240 1 SF2O4N6C28H33 AB2C4D6E28F33 -138.53 7.72 0.0 0.0 0
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179908 76553744 1 O3N6C26H26 A3B6C26D26 -42.22 6.72 -8.34 -0.83 0
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179909 76553745 1 O3N6C24H26 A3B6C24D26 -42.82 4.2 -8.52 -0.44 0
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179910 76554036 1 N8O9C35H36 A8B9C35D36 -191.43 9.59 -9.33 -1.74 0
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179911 76554055 1 ClFSN5O5C23H23 ABCD5E5F23G23 -194.45 2.05 -8.53 -0.77 0
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179912 76554056 1 ClFO4N6C27H30 ABC4D6E27F30 -132.74 4.04 -8.36 -0.64 0
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179913 76554298 1 OSi2C16H16F18 AB2C16D16E18 -1044.41 7.27 -10.51 -0.3 0
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179914 76554621 1 O2N3Cl4C25H27 A2B3C4D25E27 -89.75 3.83 -9.42 -0.86 0
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179915 76554958 1 FO4N6C13H17 AB4C6D13E17 -158.12 2.4 -9.2 -0.63 0
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179916 76554959 1 N3O3C27H31 A3B3C27D31 -55.6 3.84 -8.54 -0.6 0
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179917 76555136 1 ClNNaO8H19C21 ABCD8E19F21 -327.66 13.01 -8.86 -1.17 0
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179918 76555137 1 ClN2O10C28H29 AB2C10D28E29 -378.62 1.36 -7.98 -0.66 0
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179919 76555138 1 O3N4C22H24 A3B4C22D24 -48.91 3.9 -9.09 -0.81 0
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179920 76555221 1 ClO2N4H17C19 AB2C4D17E19 73.16 10.76 -9.46 -1.32 0
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179921 76555674 1 NaS2N7O24C72H114 AB2C7D24E72F114 -986.13 7.09 -7.7 -0.31 0
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179922 76556574 1 S2O3N5H19C25 A2B3C5D19E25 62.59 8.1 -9.21 -2.8 0
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179923 76556983 1 N2O4C35H40 A2B4C35D40 -104.21 6.32 -8.61 -0.47 0
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179924 76557293 1 O4N7C34H47 A4B7C34D47 -141.03 5.9 -8.18 -0.12 0
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179925 76557693 1 S3N8O13H18C19 A3B8C13D18E19 -183.88 5.67 -8.92 -2.0 1
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179926 76557826 1 O3N7C25H30 A3B7C25D30 -2.1 5.59 0.0 0.0 1
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179927 76557827 1 O3N7C30H32 A3B7C30D32 30.34 4.63 0.0 0.0 1
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179928 76557828 1 O2N6C31H33 A2B6C31D33 62.26 7.64 0.0 0.0 1
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179929 76557829 1 O2N8C29H31 A2B8C29D31 81.64 6.23 0.0 0.0 1
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179930 76557830 1 O3N8C26H31 A3B8C26D31 -4.02 5.33 0.0 0.0 0
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179931 76557922 1 FO2N5C30H38 AB2C5D30E38 -86.03 6.86 -9.13 -0.49 0
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179932 76558125 1 ClNOPTiC27H33 ABCDEF27G33 64.83 24.06 -5.11 -2.99 0
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179933 76558192 1 BrMgF3H8C13 ABC3D8E13 -52.36 4.62 -8.58 -1.04 0
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179934 76558238 1 BrMgNC17H20 ABCD17E20 3.34 4.34 -7.93 0.08 0