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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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408300 135081064 2 N4S4O8C38H53 A4B4C8D38E53 -261.6 12.84 -8.97 -3.2 0
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408301 135081065 1 BBrN6Cl12C24 ABC6D12E24 63.24 5.11 -8.45 -3.17 0
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408302 135081066 1 ZnN12H42C52 AB12C42D52 414.44 5.84 -9.32 -2.04 0
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408303 135081067 4 N3H11C13 A3B11C13 446.97 7.08 -7.95 -2.28 0
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408304 135081068 1 CuO8N9C92H135 AB8C9D92E135 -40.51 8.29 0.0 0.0 0
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408305 135081069 1 NiN12C36H44 AB12C36D44 356.86 0.7 -7.6 -3.71 0
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408306 135081071 1 NiN10C30H30 AB10C30D30 481.17 28.04 -7.38 -2.52 0
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408307 135081072 2 N5C15H16 A5B15C16 234.47 8.06 -7.84 -2.35 0
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408308 135081073 1 SBr2Cl3C12H17 AB2C3D12E17 -12.52 3.35 -9.04 -1.45 0
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408309 135081074 1 ISC11H11 ABC11D11 67.08 2.11 -8.79 -0.91 0
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408310 135081075 1 NSO3C11H21 ABC3D11E21 -137.86 6.67 -9.05 -0.22 0
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408311 135081076 1 ON5C11H21 AB5C11D21 27.35 7.47 -10.01 -0.14 0
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408312 135081077 1 O2C11H14 A2B11C14 -61.33 1.73 -8.85 0.29 0
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408313 135081078 1 NO2C6H6F7 AB2C6D6E7 -448.47 3.88 -10.66 -0.14 0
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408314 135081079 2 O2C5H7 A2B5C7 -179.83 6.09 -9.98 0.05 0
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408315 135081080 1 ClO3C9H17 AB3C9D17 -172.38 4.96 -9.99 0.24 0
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408316 135081082 1 LiO2S2H7C9 AB2C2D7E9 8.2 13.48 -7.49 -0.86 0
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408317 135081083 1 BrO2S2C11H11 AB2C2D11E11 -63.41 2.23 -8.63 -1.26 0
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408318 135081084 1 NO6C11H19 AB6C11D19 -263.68 6.72 -9.91 0.55 0
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408319 135081085 1 NO5C7H13 AB5C7D13 -166.18 5.06 -10.63 -0.62 0
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408320 135081086 1 NOC13H17 ABC13D17 -24.6 4.04 -9.25 0.33 0
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408321 135081087 1 NOSiC10H19 ABCD10E19 -78.14 3.69 -9.88 0.92 0
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408322 135081088 1 OC15H18 AB15C18 0.45 1.76 -9.26 0.41 0
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408323 135081089 2 C4O4H7 A4B4C7 -362.39 2.53 -10.67 -0.33 -1
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408324 135081090 1 NO5C10H16 AB5C10D16 -205.33 1.58 0.0 0.0 0
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408325 135081091 1 NO5C10H17 AB5C10D17 -218.84 4.98 -9.96 0.52 0
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408326 135081092 2 O3H5C6 A3B5C6 -206.66 2.32 -8.73 -0.87 -2
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408327 135081093 1 O5H8C11 A5B8C11 -131.68 2.45 -9.69 -0.05 -2
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408328 135081094 1 NO4C9H15 AB4C9D15 -182.84 2.04 -8.51 0.28 -2
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408329 135081095 1 NO4C10H17 AB4C10D17 -187.82 2.01 -8.48 0.22 0
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408330 135081096 1 FO2C15H15 AB2C15D15 -88.11 3.67 -9.07 -0.05 0
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408331 135081097 1 ClFO4C11H12 ABC4D11E12 -197.09 4.61 -10.17 -1.15 0
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408332 135081098 1 NOSC14H17 ABCD14E17 33.78 3.09 -8.14 -1.16 0
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408333 135081099 1 O4C9H10 A4B9C10 -120.27 1.92 -9.53 -0.85 0
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408334 135081100 1 ClF5H6C10 AB5C6D10 -200.4 2.09 -10.57 -1.4 0
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408335 135081101 1 NSO2C12H19 ABC2D12E19 -80.03 5.19 -10.42 -0.8 0
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408336 135081102 1 SCl5C9H9 AB5C9D9 -14.3 2.85 -9.11 -0.89 0
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408337 135081103 1 NSCl5H6C10 ABC5D6E10 24.57 5.56 -8.79 -0.71 0
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408338 135081104 1 NCl2O2C8H15 AB2C2D8E15 -125.82 2.61 -9.41 0.11 0
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408339 135081105 1 MgN8F40C64 AB8C40D64 -1173.3 11.19 -8.21 -3.87 0
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408340 135081106 2 HN4F20C32 AB4C20D32 -1319.0 5.62 -9.28 -3.41 0
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408341 135081107 1 BClN6C30H42 ABC6D30E42 134.78 7.67 -8.73 -2.41 0
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408343 135081109 1 ZnO2N8H40C45 AB2C8D40E45 228.44 7.33 -9.18 -1.88 0
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408344 135081110 1 BrNO2Si2C8H20 ABC2D2E8F20 -118.7 1.9 -9.52 -0.48 0
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408345 135081111 1 NSeO2C7H11 ABC2D7E11 -65.09 6.47 -8.51 -0.55 0
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408346 135081112 1 FO2C12H13 AB2C12D13 -95.48 2.1 -9.61 -0.53 0
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408347 135081113 1 O2N3H9C12 A2B3C9D12 16.86 4.44 -10.14 -1.14 0
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408348 135081114 1 NOH2Cl3C5F6 ABC2D3E5F6 -365.98 3.64 -11.37 -0.94 0
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408349 135081115 1 NO2C8H15 AB2C8D15 -97.03 5.57 -10.17 0.47 0
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408350 135081116 1 FO2C12H15 AB2C12D15 -126.84 2.86 -9.72 0.04 0
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408351 135081117 1 F2O3H12C13 A2B3C12D13 -204.58 5.1 -10.04 -1.0 0
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408352 135081118 1 NO2C6H11 AB2C6D11 -92.35 5.66 -9.65 0.3 0
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408353 135081119 1 NO3C8H13 AB3C8D13 -138.2 6.12 -10.0 0.33 0
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408354 135081120 1 PCl2O3C8H15 AB2C3D8E15 -193.03 2.14 -9.89 -0.26 0
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408355 135081121 1 OC11H18 AB11C18 -57.11 2.37 -9.16 1.28 0
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408356 135081122 1 NO2C5H9 AB2C5D9 -78.07 3.48 -10.69 0.85 0
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408357 135081123 1 OSH10C13 ABC10D13 38.69 3.49 -9.41 -0.82 0
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408358 135081124 1 NOC7H11 ABC7D11 -18.33 2.6 -10.0 0.4 0
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408359 135081125 1 NO2C10H11 AB2C10D11 -41.1 1.48 -9.72 0.04 0
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408360 135081126 1 NO6C9H17 AB6C9D17 -283.14 3.44 -9.94 0.64 0
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408361 135081127 1 FNC11H12 ABC11D12 -18.75 2.97 -9.49 -0.42 0
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408362 135081128 1 IO2C9H9 AB2C9D9 -47.35 3.07 -9.54 -1.05 0
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408363 135081129 1 ClNOC11H14 ABCD11E14 -38.52 4.09 -9.79 -0.79 -2
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408364 135081130 1 NSO4H9C10 ABC4D9E10 -136.9 4.33 -8.74 -0.24 0
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408365 135081131 1 O3C10H12 A3B10C12 -90.38 5.44 -9.41 -0.68 0
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408366 135081132 1 ClO2H11C14 AB2C11D14 -26.68 4.55 -9.57 -1.03 0
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408367 135081133 1 O3C13H16 A3B13C16 -123.99 7.8 -10.22 -0.46 0
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408368 135081134 1 NOSC12H13 ABCD12E13 18.01 7.03 -8.94 -0.26 0
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408369 135081135 1 OSN2H10C12 ABC2D10E12 46.6 5.38 -8.65 -0.77 0
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408370 135081136 1 ClSF3H8C10 ABC3D8E10 -136.93 5.69 -9.39 -0.89 0
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408371 135081137 1 ClOC11H13 ABC11D13 -24.96 1.91 -9.68 0.04 0
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408372 135081138 1 SN4C12H12 AB4C12D12 124.0 3.8 -9.55 -0.73 0
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408375 135081141 1 BClN6F12C24 ABC6D12E24 -382.94 4.1 -8.7 -3.33 0
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408376 135081142 1 BBrN6F12C24 ABC6D12E24 -391.19 4.32 -8.74 -3.39 0
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408377 135081143 1 ZnN8O16C176H232 AB8C16D176E232 -199.48 14.74 -7.16 -2.24 0
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408378 135081144 2 N4O8C88H117 A4B8C88D117 -453.32 7.04 -7.08 -2.04 0
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408379 135081145 1 ZnO4N8H50C72 AB4C8D50E72 678.46 7.69 -7.19 -1.81 0
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408380 135081146 4 ON2H13C18 AB2C13D18 548.61 9.15 -8.17 -2.08 0
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408381 135081147 1 ZnBr2N8H86C92 AB2C8D86E92 535.72 8.88 -8.02 -2.54 0
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408382 135081148 2 BrN4H44C46 AB4C44D46 462.37 12.39 -7.75 -2.15 0
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408383 135081149 2 NOC6H9 ABC6D9 -77.75 3.28 -9.66 -0.05 0
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408384 135081150 2 NC5H8 AB5C8 12.22 3.45 -8.92 0.28 0
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408385 135081151 1 NO3C13H13 AB3C13D13 -70.78 4.38 -9.6 -0.14 0
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408386 135081152 3 OC4H4 AB4C4 -92.83 3.85 -9.26 -0.5 0
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408387 135081153 1 SO4C11H16 AB4C11D16 -171.63 4.46 -8.72 -0.37 0
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408388 135081154 1 NSO5C10H19 ABC5D10E19 -228.57 4.17 -8.62 0.41 0
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408389 135081155 1 BrF2H7C9 AB2C7D9 -66.34 1.67 -9.65 -0.62 0
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408390 135081156 1 SN2O2C13H14 AB2C2D13E14 -28.91 5.05 -8.05 -0.68 0
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408391 135081157 1 NO2C12H15 AB2C12D15 -57.74 5.62 -9.07 -0.01 0
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408392 135081158 2 F2H4C5 A2B4C5 -185.38 4.26 -9.96 -0.3 0
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408393 135081159 1 NOSF3H8C9 ABCD3E8F9 -174.76 7.27 -9.52 -0.82 0
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408394 135081160 1 O3C15H32 A3B15C32 -190.06 4.36 -10.03 1.89 0
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408395 135081161 1 OC13H18 AB13C18 -44.55 2.75 -9.39 0.36 0
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408396 135081162 2 OC6H7 AB6C7 -75.53 5.34 -9.66 0.05 0
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408397 135081163 1 NO2F3H8C10 AB2C3D8E10 -189.68 3.29 -10.5 -1.2 0
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408398 135081164 1 O4C9H16 A4B9C16 -204.09 3.64 -10.34 0.4 0
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408399 135081165 1 NO2C5F5H6 AB2C5D5E6 -349.51 4.96 -10.8 0.03 0
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408400 135081166 1 N2O4C11H14 A2B4C11D14 -176.35 5.1 -10.28 -0.28 0
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408401 135081167 1 O3C9H16 A3B9C16 -142.98 0.46 -10.32 0.68 0
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408402 135081168 1 NO3C10H11 AB3C10D11 -68.1 6.68 -9.18 -0.35 0