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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410318 135083111 1 BO3Si4C12H36 AB3C4D12E36 -304.63 0.27 0.0 0.0 0
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410319 135083112 1 O2H3N3C6 A2B3C3D6 50.3 8.47 -10.16 -2.8 1
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410320 135083113 1 O2N3H4C6 A2B3C4D6 17.34 3.59 0.0 0.0 0
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410321 135083114 2 ON2C4H5 AB2C4D5 25.85 4.28 -8.25 -0.67 0
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410324 135083117 1 OH12C15 AB12C15 45.08 0.95 -8.56 -1.08 0
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410325 135083118 2 C7H8 A7B8 41.61 1.44 -8.82 0.14 0
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410326 135083119 1 LiSO2N7H12C13 ABC2D7E12F13 131.28 14.64 -7.32 -1.11 0
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410327 135083120 1 SO2N7C13H13 AB2C7D13E13 111.41 4.22 -9.48 -1.04 0
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410328 135083121 2 NO2C7H11 AB2C7D11 -151.31 0.38 -8.6 0.2 0
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410329 135083122 4 HC2 AB2 150.68 0.01 -9.14 -1.19 0
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410330 135083123 2 H2C5 A2B5 363.67 1.8 -9.29 -1.7 0
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410331 135083124 20 CH AB 149.73 0.81 -8.39 -0.7 0
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410332 135083125 1 NO2C26H29 AB2C26D29 -45.15 4.24 -8.29 -0.75 0
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410333 135083126 1 BBrO2F4C9H10 ABC2D4E9F10 -364.35 12.35 -9.98 -2.51 1
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410334 135083127 1 BrO2C9H10 AB2C9D10 -25.54 4.27 0.0 0.0 0
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410335 135083128 2 NOPdCl2H7C8 ABCD2E7F8 146.11 7.24 -8.6 -1.81 0
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410336 135083131 1 LiSO3H13C14 ABC3D13E14 -89.43 7.22 -7.98 -0.44 -1
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410337 135083132 1 BrNiN3O3H25C27 ABC3D3E25F27 84.77 7.23 0.0 0.0 0
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410338 135083133 1 NO9C36H49 AB9C36D49 -409.31 4.92 -9.28 -0.79 0
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410339 135083134 1 SSeO3F8C23H24 ABC3D8E23F24 -515.65 8.12 -9.34 -1.82 0
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410340 135083135 1 STeO3H10F12C18 ABC3D10E12F18 -705.75 5.87 -9.81 -2.14 0
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410341 135083136 1 N2S2O7H10F12C19 A2B2C7D10E12F19 -690.02 6.61 -10.01 -2.63 0
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410342 135083137 1 SSeO3H6C21F22 ABC3D6E21F22 -1141.01 5.04 -10.27 -2.25 0
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410343 135083138 1 STeO3F8C22H22 ABC3D8E22F22 -537.62 3.32 -9.79 -2.0 0
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410344 135083139 1 S2O3H6F10C15 A2B3C6D10E15 -563.16 4.16 -9.82 -1.78 0
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410345 135083140 1 STeO3F20H28C31 ABC3D20E28F31 -1143.31 7.28 -9.34 -1.76 0
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410346 135083141 1 S2O3F12H24C25 A2B3C12D24E25 -710.11 8.79 -9.33 -1.84 0
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410347 135083142 1 SSeO3H10F22C23 ABC3D10E22F23 -1153.99 9.57 -9.79 -2.15 0
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410348 135083143 1 SSeN2H6O7F10C16 ABC2D6E7F10G16 -563.05 6.86 -10.72 -2.97 0
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410349 135083144 1 STeO3F12H12C19 ABC3D12E12F19 -715.45 6.73 -9.77 -1.9 0
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410350 135083145 1 S2O3H4F10C14 A2B3C4D10E14 -552.83 2.02 -9.93 -2.09 0
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410351 135083146 1 SSeN2H4O7F10C15 ABC2D4E7F10G15 -553.29 5.35 -10.86 -3.17 0
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410352 135083147 1 STeO3H8F10C16 ABC3D8E10F16 -592.68 5.85 -9.9 -2.06 0
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410353 135083148 1 STeN2F6O7H10C16 ABC2D6E7F10G16 -424.4 5.82 -10.83 -2.7 0
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410354 135083149 1 S2O3H6F10C15 A2B3C6D10E15 -561.95 6.66 -9.86 -2.17 0
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410355 135083150 1 SSeO3F12H22C24 ABC3D12E22F24 -701.11 4.89 -9.71 -2.1 0
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410356 135083151 2 NOC5H7 ABC5D7 -0.12 0.85 -9.13 0.01 0
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410357 135083152 2 NOC7H7 ABC7D7 43.42 1.22 -9.23 -0.19 0
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410358 135083153 1 NOC9H17 ABC9D17 -35.01 1.48 -9.24 1.88 0
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410360 135083155 1 NO5C13H17 AB5C13D17 -152.86 0.65 -9.38 -1.28 0
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410361 135083156 1 O10C21H32 A10B21C32 -392.75 4.72 -9.45 -0.26 0
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410362 135083157 1 CrPO4H21C27 ABC4D21E27 -115.55 2.44 -8.6 -0.62 0
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410363 135083158 1 OPH21C24 ABC21D24 51.05 1.49 -8.4 0.12 0
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410364 135083159 1 O3H14C15 A3B14C15 -6.13 1.47 -9.62 0.02 0
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410365 135083160 1 O3C27H32 A3B27C32 -72.56 2.89 -9.27 0.29 0
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410367 135083162 1 OSiH28C31 ABC28D31 72.88 1.7 -8.62 0.17 0
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410368 135083163 2 O2C5H11 A2B5C11 -140.65 1.85 -9.46 -0.11 0
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410369 135083164 1 Fe2P2O3N8F12C34H50 A2B2C3D8E12F34G50 -962.37 3.38 -8.1 -0.45 0
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410370 135083165 1 NO3C23H23 AB3C23D23 18.81 5.22 -9.39 -0.22 1
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410371 135083166 1 SSeH5C7 ABC5D7 60.13 1.18 0.0 0.0 0