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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413236 135086183 1 BrO2N3C12H12 AB2C3D12E12 24.45 1.62 -9.95 -0.74 0
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413237 135086184 1 O2N3C13H15 A2B3C13D15 11.3 2.06 -9.67 -0.4 1
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413238 135086185 1 NC9H12 AB9C12 18.93 1.77 0.0 0.0 0
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413239 135086186 1 NOH19C20 ABC19D20 36.76 0.44 -8.41 -0.47 0
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413240 135086187 1 NOF4H11C15 ABC4D11E15 -176.47 4.71 -9.0 -0.94 1
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413241 135086188 1 ClN4H10C12 AB4C10D12 121.11 1.55 0.0 0.0 1
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413242 135086189 1 F3N4H10C13 A3B4C10D13 -32.12 3.58 0.0 0.0 1
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413243 135086190 1 FN4H12C13 AB4C12D13 74.92 4.32 0.0 0.0 0
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413244 135086191 1 SO4C9H10 AB4C9D10 -121.27 4.66 -9.44 -1.16 0
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413245 135086192 1 OCl3C12H21 AB3C12D21 -106.74 3.18 -10.61 -0.84 0
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413246 135086193 1 OCl3C7H11 AB3C7D11 -80.39 3.27 -10.47 -0.81 0
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413247 135086194 1 ClSO3H13C15 ABC3D13E15 -71.74 7.82 -9.54 -0.72 0
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413248 135086195 1 ClNO3H14C19 ABC3D14E19 -48.58 2.35 -8.96 -1.18 0
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413249 135086196 1 NSO3H11C17 ABC3D11E17 22.94 4.18 -8.86 -0.93 0
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413250 135086197 1 ClN2O3C13H15 AB2C3D13E15 -96.54 4.55 -8.86 -0.7 0
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413251 135086198 1 BrN2O3C13H15 AB2C3D13E15 -85.51 3.73 -8.96 -0.76 0
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413252 135086199 1 O2N4H20C23 A2B4C20D23 33.42 4.53 -8.53 -1.01 0
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413253 135086200 1 ON3H17C20 AB3C17D20 43.58 5.15 -8.15 -0.54 0
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413254 135086201 3 NOH7C10 ABC7D10 118.58 8.29 -8.72 -1.44 0
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413255 135086202 1 ON2C15H20 AB2C15D20 -2.74 3.51 -8.41 -0.36 0
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413256 135086203 2 NC10H11 AB10C11 67.23 3.91 -8.33 -0.19 0
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413257 135086204 1 N2O3H12C13 A2B3C12D13 10.99 8.51 -9.01 -1.31 0
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413258 135086205 1 NO3C16H17 AB3C16D17 -75.06 3.93 -8.62 -0.69 0
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413259 135086206 1 SN2O4H18C19 AB2C4D18E19 -40.74 4.17 -8.25 -0.75 0
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413260 135086207 1 N2O2C15H18 A2B2C15D18 -1.54 0.6 -8.02 -0.2 0