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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165091 74499342 1 O3N4C27H31 A3B4C27D31 -53.37 3.97 0.0 0.0 0
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165092 74499431 1 N2O2H20C21 A2B2C20D21 30.0 3.33 -8.81 -1.16 0
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165093 74499432 1 ClNO4C24H28 ABC4D24E28 -101.4 4.67 -8.71 -0.52 0
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165094 74499433 1 FSN3O3H24C25 ABC3D3E24F25 -50.5 3.62 -8.77 -0.93 0
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165095 74499434 1 N2O3H20C21 A2B3C20D21 -7.56 2.3 -8.76 -1.23 0
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165096 74499976 1 SN3C21H27 AB3C21D27 60.04 3.52 -8.48 -0.42 1
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165097 74499977 1 N2O2C21H29 A2B2C21D29 -27.45 4.85 0.0 0.0 2
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165098 74499978 1 OSN5C20H31 ABC5D20E31 122.76 55.93 -3.84 -2.92 0
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165099 74500480 1 ClFO2N5C26H31 ABC2D5E26F31 -81.15 5.48 -8.92 -0.34 2
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165100 74500481 2 NOC10H20 ABC10D20 -93.8 6.99 -6.05 1.53 1
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165101 74500482 1 N2O4C20H31 A2B4C20D31 -128.49 2.62 0.0 0.0 2
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165102 74500483 1 SF2N2O2C21H28 AB2C2D2E21F28 -24.53 27.47 -3.96 -2.05 0
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165103 74501074 1 SN2O3C20H20 AB2C3D20E20 -35.06 1.23 -8.47 -0.26 1
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165104 74501075 1 N2O3C26H31 A2B3C26D31 -55.85 6.1 0.0 0.0 0
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165105 74501076 1 N2O3C26H30 A2B3C26D30 -60.44 5.59 -8.79 -0.14 1
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165106 74501077 1 N3O3C25H36 A3B3C25D36 -109.46 2.1 0.0 0.0 0
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165107 74501078 1 N3O3C25H35 A3B3C25D35 -117.33 9.54 -8.1 -0.3 0
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165108 74501087 1 FN3C22H28 AB3C22D28 2.55 3.73 -8.64 -0.32 0
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165109 74501088 1 F2N2O2H18C19 A2B2C2D18E19 -101.54 2.06 -8.94 -0.21 1
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165110 74501698 1 ClFN2O3C30H33 ABC2D3E30F33 -91.3 4.13 0.0 0.0 0
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165111 74501699 1 ClN2O4C21H23 AB2C4D21E23 -94.76 4.68 -8.07 -0.17 1
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165112 74501949 1 O3N4C28H29 A3B4C28D29 4.85 13.91 0.0 0.0 0
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165113 74501950 1 O3N4C28H28 A3B4C28D28 59.92 4.49 -8.88 -1.6 1
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165114 74501991 1 N4O4C24H37 A4B4C24D37 -135.57 6.17 0.0 0.0 -1
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165115 74502203 1 NS2O8H14C20 AB2C8D14E20 -210.84 1.14 0.0 0.0 1
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165116 74502351 1 NOC9H20 ABC9D20 -43.94 2.96 0.0 0.0 1
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165117 74502352 1 ON3C19H20 AB3C19D20 46.24 4.04 0.0 0.0 1
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165118 74502353 1 O2N3C21H24 A2B3C21D24 -2.81 2.84 0.0 0.0 1
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165119 74502354 1 ON2C7H15 AB2C7D15 -32.38 5.6 0.0 0.0 1
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165120 74502355 1 ON2C6H13 AB2C6D13 -20.96 5.12 0.0 0.0 1
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165121 74502356 1 ON2C7H15 AB2C7D15 -26.79 5.35 0.0 0.0 -1
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165122 74502459 1 SN2O5H19C23 AB2C5D19E23 -58.14 4.53 0.0 0.0 -1
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165123 74502607 1 ClN3O6H11C19 AB3C6D11E19 3.47 7.22 0.0 0.0 2
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165124 74502856 1 SN2O2C21H38 AB2C2D21E38 -58.24 17.86 -6.15 -0.59 2
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165125 74502857 1 N3O4C20H33 A3B4C20D33 -60.27 16.02 -6.2 -0.26 1
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165126 74502858 1 O2N5C24H30 A2B5C24D30 -2.35 5.59 0.0 0.0 1
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165127 74503444 1 O2N3C25H40 A2B3C25D40 -90.14 4.43 0.0 0.0 1
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165128 74503445 1 N3O5C20H32 A3B5C20D32 -187.38 8.47 0.0 0.0 0
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165129 74503446 1 FON4H21C22 ABC4D21E22 18.5 5.63 -8.74 -0.99 1
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165130 74503447 1 SN2O3C20H31 AB2C3D20E31 -98.73 5.71 0.0 0.0 0
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165131 74503515 1 N2O4C21H24 A2B4C21D24 -71.24 3.38 -8.53 -0.55 1
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165132 74503516 1 F2N2O2C19H21 A2B2C2D19E21 -105.39 3.43 0.0 0.0 2
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165133 74503656 1 ClN4O4C21H33 AB4C4D21E33 -56.45 13.26 -6.4 -0.93 1
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165134 74503686 1 OSN2C23H25 ABC2D23E25 35.07 5.51 0.0 0.0 1
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165135 74503777 1 N4C21H25 A4B21C25 105.54 2.9 0.0 0.0 1
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165136 74503885 1 N2O3C22H27 A2B3C22D27 -68.99 4.61 0.0 0.0 2
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165137 74503959 1 N3O4C23H33 A3B4C23D33 -90.36 11.49 -6.07 -0.24 0
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165138 74504502 1 NCl2O3H15C17 AB2C3D15E17 -71.69 2.5 -8.25 -0.84 0
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165139 74504519 1 ClNO5C22H26 ABC5D22E26 -160.02 3.71 -8.17 -0.79 0
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165140 74504862 1 BrO2N5H14C17 AB2C5D14E17 67.64 10.86 -9.17 -1.22 0