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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391139 135003062 1 ClOSC11H13 ABCD11E13 -14.34 4.45 -8.61 -0.28 0
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391140 135003066 1 N5H13C18 A5B13C18 152.2 4.31 -8.7 -1.41 0
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391141 135003068 1 NO7C41H49 AB7C41D49 -212.52 7.98 -8.55 -0.08 0
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391142 135003069 1 N2O5C29H32 A2B5C29D32 -78.25 5.92 -9.12 -1.18 0
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391143 135003070 1 N2O2C31H36 A2B2C31D36 16.11 1.76 -8.93 0.14 0
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391144 135003073 1 N2O5H16C18 A2B5C16D18 -48.13 3.61 -8.9 -1.22 0
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391145 135003083 1 FNPSO9C26H33 ABCDE9F26G33 -477.8 3.18 -8.97 -0.93 0
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391146 135003143 1 SO3N6C41H44 AB3C6D41E44 39.39 5.29 -8.13 -0.63 0
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391147 135003146 1 O2F5H13C19 A2B5C13D19 -239.41 4.3 -10.06 -1.19 0
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391148 135003148 1 NO4H15C17 AB4C15D17 -89.83 2.52 -8.74 -1.32 0
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391149 135003159 1 NSiO8C31H37 ABC8D31E37 -318.7 3.99 -8.71 -1.12 -1
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391150 135003166 1 BNO2F3C14H20 ABC2D3E14F20 -310.56 13.68 0.0 0.0 0
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391151 135003169 1 N2O3C23H24 A2B3C23D24 -71.32 6.0 -9.69 -0.93 0
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391152 135003178 1 NO4C17H19 AB4C17D19 -117.15 2.88 -9.71 -0.72 0
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391153 135003185 2 OC7H9 AB7C9 -76.87 4.85 -8.76 0.11 0
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391154 135003188 1 FO2H15C17 AB2C15D17 -81.18 3.56 -8.86 -0.67 0
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391155 135003189 1 O2N4H14C17 A2B4C14D17 48.88 5.11 -9.35 -0.83 0
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391157 135003211 1 OC16H18 AB16C18 37.23 3.27 -9.79 -0.55 0
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391158 135003233 1 SO4C10H16 AB4C10D16 -183.08 2.68 -8.93 -0.36 0
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391159 135003253 1 SiWN2O3C22H26 ABC2D3E22F26 76.53 4.65 -7.07 -0.17 0
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391160 135003256 1 CrO2C17H18 AB2C17D18 -3.02 0.92 -8.14 -0.44 0
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391161 135003257 1 O3H24C26 A3B24C26 54.45 3.43 -8.35 -0.7 0
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391162 135003261 1 OWN2Cl3H11C12 ABC2D3E11F12 179.43 8.87 -7.2 -1.05 0
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391163 135003262 1 WN2Cl3O6H13C16 AB2C3D6E13F16 26.64 6.43 -6.34 -0.9 0
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391164 135003265 1 NO2C22H23 AB2C22D23 8.09 2.58 -8.86 -0.43 0
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391165 135003268 1 O2C12H13 A2B12C13 -24.44 1.76 0.0 0.0 0
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391166 135003294 1 O2N3C10H13 A2B3C10D13 -73.02 3.79 -10.66 -0.26 0
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391167 135003310 1 ClPN4O4C8H14 ABC4D4E8F14 -123.67 6.62 -9.18 -0.88 0
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391168 135003326 1 NO5C21H25 AB5C21D25 -188.37 6.46 -8.45 -0.47 0
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391169 135003330 1 Cl2P2N4O7C18H32 A2B2C4D7E18F32 -337.93 5.08 -8.95 -0.9 0
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391170 135003337 1 O2F3N3H16C20 A2B3C3D16E20 -150.91 3.03 -8.56 -0.72 0
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391171 135003339 1 BrN2O6C29H33 AB2C6D29E33 -223.89 4.83 -8.81 -0.74 0
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391172 135003342 1 SiO5C18H32 AB5C18D32 -303.67 1.69 -8.82 0.57 0
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391173 135003350 1 NO7C21H25 AB7C21D25 -244.96 3.09 -9.16 -1.17 0
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391174 135003368 1 NO7C20H29 AB7C20D29 -280.25 3.89 -9.65 -1.64 0
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391175 135003369 1 N3O7C26H39 A3B7C26D39 -233.83 5.06 -8.68 -1.38 0
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391176 135003371 1 NO7C23H25 AB7C23D25 -184.44 4.92 -9.56 -0.67 0
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391177 135003374 1 N2F3O5C24H29 A2B3C5D24E29 -346.43 4.79 -9.11 -0.01 0
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391178 135003377 1 N2O5C25H36 A2B5C25D36 -178.67 6.38 -9.0 -0.09 0
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391179 135003383 1 NO2H29C38 AB2C29D38 76.43 7.96 -8.92 -0.36 0
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391180 135003393 1 CrNO2C15H23 ABC2D15E23 103.56 2.61 -6.55 0.42 0
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391181 135003394 1 N2O2C27H28 A2B2C27D28 -7.31 5.29 -8.53 0.09 1
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391182 135003399 1 NO3H20C23 AB3C20D23 -11.46 4.4 0.0 0.0 0
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391183 135003401 1 O2N3H23C26 A2B3C23D26 42.79 2.6 -8.78 -0.97 0
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391184 135003404 1 OSiC18H22 ABC18D22 -24.28 2.18 -9.29 0.16 0
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391185 135003414 1 N2O3C20H22 A2B3C20D22 -4.53 1.67 -8.87 0.0 0
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391186 135003420 1 O3H16C18 A3B16C18 -59.08 1.73 -8.47 -0.67 0
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391187 135003432 1 NOC18H23 ABC18D23 -25.59 5.2 -8.27 -0.06 0
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391188 135003438 1 FO2C13H21 AB2C13D21 -166.78 0.51 -10.27 -0.17 0
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391189 135003464 1 NS2O3C7H9 AB2C3D7E9 -46.88 4.18 -9.09 -1.41 0