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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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411278 135084091 1 N2O3C9H10 A2B3C9D10 3.33 5.69 -9.79 -1.21 0
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411279 135084092 1 BrNO3C19H20 ABC3D19E20 -74.61 7.62 -9.17 -0.94 0
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411280 135084093 1 OH12C16 AB12C16 62.82 4.38 -9.17 -1.01 0
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411281 135084094 1 OSiC14H18 ABC14D18 -52.47 0.79 -8.32 -0.27 0
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411282 135084095 1 NBr2O3H5C6 AB2C3D5E6 -47.92 0.37 -10.83 -1.69 0
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411283 135084096 1 O2C11H18 A2B11C18 -16.81 2.33 -9.28 0.31 0
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411284 135084097 2 OSC3H5 ABC3D5 -45.7 0.81 -8.19 -0.1 0
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411285 135084098 1 NC6O6H13 AB6C6D13 -240.52 1.56 -10.42 0.12 0
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411286 135084099 1 OC14H18 AB14C18 0.82 1.96 -9.41 0.28 0
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411287 135084100 1 O4C9H14 A4B9C14 -184.04 2.66 -10.75 0.12 0
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411288 135084101 1 PO3C11H15 AB3C11D15 -143.83 1.92 -9.34 -0.33 0
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411289 135084102 1 IOC5H9 ABC5D9 -36.55 1.1 -9.62 -0.79 0
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411290 135084103 1 O3C12H20 A3B12C20 -91.15 4.77 -9.73 0.56 0
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411291 135084104 2 NOC4H7 ABC4D7 -63.22 3.28 -9.91 0.03 0
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411292 135084105 1 O3C14H18 A3B14C18 -121.45 2.79 -9.57 0.22 0
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411293 135084106 1 OCl2N2C10H10 AB2C2D10E10 -2.35 3.89 -9.65 -0.87 0
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411294 135084107 1 SO2C11H12 AB2C11D12 -47.86 2.72 -8.74 -0.42 0
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411295 135084108 1 SiF3C13H18 AB3C13D18 -152.69 3.97 0.0 0.0 0
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411296 135084109 1 OC12H22 AB12C22 -72.82 3.1 -9.44 0.72 0
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411297 135084110 1 OC13H22 AB13C22 -36.54 2.03 -8.75 0.85 0
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411298 135084111 1 NSO4H7C8 ABC4D7E8 -112.41 5.91 -9.7 -1.13 0
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411299 135084112 1 ON2C13H20 AB2C13D20 -43.97 2.59 -9.74 -0.13 0
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411300 135084113 1 OC13H22 AB13C22 -48.0 3.18 -9.09 0.94 0
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411301 135084114 1 ClSN2O2H11C12 ABC2D2E11F12 -23.86 5.68 -8.77 -1.14 0
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411302 135084115 1 FNOC13H16 ABCD13E16 -79.36 2.97 -9.25 -0.4 0
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411303 135084116 1 NO2C9H17 AB2C9D17 -96.31 4.28 -9.55 0.66 0
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411304 135084117 1 N2O2C13H16 A2B2C13D16 -36.38 4.92 -9.08 -0.78 0
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411305 135084118 1 SiN2O2C12H18 AB2C2D12E18 -39.9 5.19 -10.08 -0.57 1
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411306 135084119 1 SiN2O2C12H19 AB2C2D12E19 -39.06 4.78 0.0 0.0 0
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411307 135084120 1 Cl4C5H6 A4B5C6 -33.05 2.37 -10.48 -0.83 0
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411308 135084121 3 OC4H6 AB4C6 -137.55 4.62 -9.74 0.75 0
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411309 135084122 1 ClN2O2H9C11 AB2C2D9E11 0.49 1.74 -9.43 -0.92 1
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411310 135084123 1 ClN2O2H10C11 AB2C2D10E11 9.65 4.75 0.0 0.0 0
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411311 135084124 1 NO2C14H23 AB2C14D23 -78.73 5.5 -10.18 -0.27 0
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411312 135084125 1 O3C10H20 A3B10C20 -142.55 4.83 -10.15 2.16 0
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411313 135084126 1 BrMgN2H5C7 ABC2D5E7 7.7 2.34 -8.76 -0.5 0
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411314 135084127 1 N3C13H21 A3B13C21 65.6 4.02 -9.72 0.06 0
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411315 135084128 1 O2N3C7H9 A2B3C7D9 9.22 4.36 -9.7 -1.13 0
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411316 135084134 1 BrFC12H14 ABC12D14 -29.7 1.45 -9.45 -0.54 0
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411317 135084140 1 N2C15H16 A2B15C16 64.6 2.28 -8.28 0.09 0
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411318 135084141 1 NO3C11H13 AB3C11D13 -65.27 2.87 -9.03 -0.1 0
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411319 135084142 1 ClNO2C10H10 ABC2D10E10 -34.57 3.21 -9.53 -0.71 0
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411320 135084143 1 OSH14C15 ABC14D15 -1.38 0.93 -9.16 -0.41 0
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411321 135084144 1 NO5C10H19 AB5C10D19 -237.93 3.33 -9.45 0.73 0
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411322 135084145 1 OC14H14 AB14C14 50.67 1.78 -8.65 -0.07 0
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411323 135084146 1 OC13H18 AB13C18 -34.99 2.75 -9.57 0.21 0
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411324 135084147 2 FO2C3H5 AB2C3D5 -285.19 1.27 -10.62 0.85 0
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411325 135084148 1 NOC9H19 ABC9D19 -39.03 0.66 -9.22 1.15 0
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411326 135084149 1 BC15H21 AB15C21 -16.17 0.74 -9.14 -0.13 0
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411327 135084150 1 OC15H16 AB15C16 62.85 2.25 -9.22 -0.2 0