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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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145137 53468742 1 ON4C16H22 AB4C16D22 21.03 4.54 -8.32 -0.04 0
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145138 53468765 1 N2O5H14C15 A2B5C14D15 -11.69 2.86 -9.76 -1.66 0
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145139 53468779 2 NO2C31H47 AB2C31D47 -212.71 3.98 -8.93 -0.92 0
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145140 53469036 2 O3N4C23H28 A3B4C23D28 -181.54 10.78 -9.03 -0.81 0
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145141 53469037 2 O3N4C23H28 A3B4C23D28 -189.44 4.91 -8.48 -0.79 0
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145142 53469053 1 FN2O3H29C30 AB2C3D29E30 -105.79 6.47 -9.19 -1.2 0
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145143 53469448 1 OF3N5H20C24 AB3C5D20E24 -108.03 4.24 -8.41 -0.89 0
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145144 53469686 1 N3H13C20 A3B13C20 168.99 2.76 -8.17 -0.84 0
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145145 53469687 1 ON3H15C21 AB3C15D21 127.87 1.11 -7.99 -0.79 -1
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145146 53470290 1 ClSN4O6C20H28 ABC4D6E20F28 -249.68 7.56 0.0 0.0 0
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145147 53470438 1 BrN2F3O3S3H6C12 AB2C3D3E3F6G12 -188.9 3.97 -9.36 -1.57 0
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145148 53470921 1 ClNaS2O3N4H20C23 ABC2D3E4F20G23 -42.55 5.17 -8.27 -1.55 0
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145149 53470926 1 PNa3S3N5O13H17C22 AB3C3D5E13F17G22 -616.55 15.68 -7.77 -2.02 4
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145151 53471124 1 IrNF6C13H19 ABC6D13E19 -272.69 31.52 0.0 0.0 0
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145152 53471318 3 FOC5H5 ABC5D5 -284.02 4.39 -10.4 -1.08 0
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145153 53471412 1 ON2H14C16 AB2C14D16 27.03 3.06 -8.95 -0.73 0
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145154 53471645 1 NO3F7C15H22 AB3C7D15E22 -524.89 4.87 -10.76 -0.4 0
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145155 53471751 1 O6N8C43H46 A6B8C43D46 -156.13 8.76 -8.77 -0.43 0
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145156 53471752 1 CuO2C3H3N3 AB2C3D3E3 49.59 5.9 0.0 0.0 0
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145157 53471753 2 O6C13H21 A6B13C21 -575.57 5.36 -10.73 0.34 1
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145158 53471754 1 PS2N3C12H13 AB2C3D12E13 80.58 6.79 0.0 0.0 0
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145159 53472250 1 FNC13H14 ABC13D14 30.22 1.69 -8.91 0.1 0
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145160 53472679 1 NO2C27H43 AB2C27D43 -54.95 8.07 -8.65 -0.73 0
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145161 53472750 1 OS2N8C22H24 AB2C8D22E24 129.1 9.23 -8.72 -1.13 0
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145162 53472801 1 SO4H12C18 AB4C12D18 -91.98 2.26 -9.64 -1.57 0