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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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9092 85932 1 ON2C9H18 AB2C9D18 -77.32 5.63 -9.39 1.51 0
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9093 85933 2 NO3C6H9 AB3C6D9 -248.13 5.95 -9.67 -1.49 0
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9094 85935 1 NO3C10H11 AB3C10D11 -112.97 6.39 -10.02 -0.38 0
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9095 85942 2 OC7H15 AB7C15 -158.3 2.81 -9.88 2.69 0
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9096 85950 1 FNO2C16H20 ABC2D16E20 -126.21 1.98 -8.78 -0.21 0
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9097 85954 1 NO2C5H5F6 AB2C5D5E6 -402.4 4.67 -10.73 -0.35 0
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9098 85958 1 SO4C7F14 AB4C7D14 -828.52 1.91 -11.22 -1.96 0
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9099 85982 1 O4C25H36 A4B25C36 -131.22 4.06 -8.15 0.28 0
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9100 85998 1 OC11H20 AB11C20 -72.46 2.39 -10.3 2.76 0
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9101 86029 1 O2C17H30 A2B17C30 -133.35 2.69 -8.68 0.94 0
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9102 86162 1 NO2H13C15 AB2C13D15 -15.05 3.46 -9.05 -0.22 0
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9103 86163 1 NO2H13C17 AB2C13D17 2.1 2.87 -8.38 -1.17 0
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9104 86168 1 OSN2C8H8 ABC2D8E8 9.99 5.33 -9.12 -0.6 0
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9105 86170 1 OC17H30 AB17C30 -100.31 2.44 -10.06 2.98 0
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9106 86171 1 N2O2C23H30 A2B2C23D30 -34.29 2.89 -8.41 -0.14 0
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9107 86172 1 S2N3O4C14H21 A2B3C4D14E21 -156.81 7.0 -8.57 -0.85 0
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9108 86173 1 Cl2N3O3H17C19 A2B3C3D17E19 -37.65 5.96 -9.34 -0.74 0
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9109 86174 1 FIN2O4C9H10 ABC2D4E9F10 -197.45 3.37 -9.76 -1.62 0
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9110 86189 1 N6O9C38H58 A6B9C38D58 -391.44 9.69 -9.02 0.09 0
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9111 86193 2 O7C16H21 A7B16C21 -557.93 6.47 -9.76 0.14 0
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9112 86196 1 NO2C14H19 AB2C14D19 -42.08 2.76 -8.79 0.02 0
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9113 86198 1 NO2C14H17 AB2C14D17 -0.48 3.22 -8.84 -0.07 0
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9114 86204 1 FCl2N2O3C15H19 AB2C2D3E15F19 -174.47 2.06 -9.13 -0.84 0
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9115 86208 1 OC13H16 AB13C16 -17.23 3.01 -9.44 0.02 0
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9116 86210 1 ClON3C17H22 ABC3D17E22 -8.1 2.41 -9.33 -0.08 0
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9117 86211 1 ClON3C18H24 ABC3D18E24 -14.34 5.18 -9.32 -0.06 0
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9118 86225 1 NSO3C7F7H8 ABC3D7E7F8 -434.46 4.49 -10.48 -1.24 0
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9119 86255 1 NC4O4H9 AB4C4D9 -99.77 3.13 -10.91 -1.07 0
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9120 86266 4 OC3H4 AB3C4 -157.7 0.66 -9.33 -0.55 0
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9121 86280 1 BrN2O3H5C7 AB2C3D5E7 -17.27 6.71 -10.39 -1.71 0
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9122 86283 1 ON8C25H34 AB8C25D34 76.01 15.55 -8.7 -1.44 0
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9123 86284 1 O5C21H34 A5B21C34 -235.11 4.45 -8.48 0.25 0
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9124 86322 1 NO2C9H13 AB2C9D13 -74.34 7.48 -8.4 -0.06 0
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9125 86335 1 N2O2C11H13 A2B2C11D13 40.13 3.5 0.0 0.0 1
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9126 86347 3 NOC7H7 ABC7D7 -19.79 1.77 -8.59 -1.47 0
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9127 86379 1 NO3C9H13 AB3C9D13 -111.54 6.03 -8.54 -0.23 0
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9128 86382 1 Cl3H3O4C5 A3B3C4D5 -170.55 2.88 -11.08 -2.02 0
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9129 86393 1 OCl4H6C12 AB4C6D12 -14.05 4.49 -9.26 -0.91 0
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9130 86399 1 OSN2C10H18 ABC2D10E18 -35.31 2.75 -8.56 0.04 0
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9131 86400 1 N3O5H17C22 A3B5C17D22 -49.16 3.08 -9.46 -0.89 0
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9132 86409 1 ClFNO4C15H17 ABCD4E15F17 -214.31 5.66 -9.46 -0.96 0
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9133 86412 1 ON2S2H6C8 AB2C2D6E8 36.71 5.1 -9.38 -1.5 0
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9134 86415 1 ON4C19H26 AB4C19D26 -4.91 4.54 -8.31 0.22 0
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9135 86422 1 SCl2O4N5H13C14 AB2C4D5E13F14 -56.79 6.11 -9.33 -1.25 0
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9136 86425 1 BrN2O3H11C17 AB2C3D11E17 -4.51 3.26 -9.46 -1.52 0
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9137 86427 1 NOC14H21 ABC14D21 -28.77 3.8 -8.57 -0.55 0
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9138 86442 1 HOC3F5 ABC3D5 -283.24 2.71 -12.86 0.01 0
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9139 86450 1 BrSO4C11H11 ABC4D11E11 -118.41 5.06 -10.2 -0.88 0
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9140 86457 1 ClO2N4C11H15 AB2C4D11E15 22.38 7.11 -9.36 -1.07 0
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9141 86462 1 NSO6C16H21 ABC6D16E21 -175.45 6.19 -10.75 -1.85 0
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9142 86475 1 ClNO13C37H68 ABC13D37E68 -705.32 6.4 -9.14 -0.01 0
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9143 86487 1 NO16C38H69 AB16C38D69 -811.88 4.92 -9.13 -0.1 0
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9144 86491 1 SN2O14C44H76 AB2C14D44E76 -657.79 5.87 -9.19 -0.21 0
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9145 86492 1 SN2O3C8H12 AB2C3D8E12 -134.93 3.49 -9.31 -0.21 0
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9146 86507 2 C3N3H4O9 A3B3C4D9 -181.98 4.04 -11.81 -2.15 0
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9147 86580 2 OC7H10 AB7C10 -59.37 2.04 -9.58 0.86 0
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9148 86592 1 OC9H12 AB9C12 -12.12 5.71 -9.16 -0.83 0
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9149 86613 1 BrPCl2O4C12H14 ABC2D4E12F14 -226.93 2.41 -9.63 -0.95 0
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9150 86662 1 Cl3C9H13 A3B9C13 -54.05 2.75 -11.03 -0.32 0
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9151 86666 1 IO2C5H7 AB2C5D7 -79.95 3.83 -10.33 -1.57 0
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9152 86667 1 SiO4C12H28 AB4C12D28 -338.67 1.22 -9.95 0.71 0
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9153 86669 4 NOC4H9 ABC4D9 -79.33 5.2 -3.38 -1.83 2
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9154 86671 1 OC15H22 AB15C22 -55.39 2.66 -9.26 0.67 0
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9155 86672 2 ON2C13H14 AB2C13D14 0.17 10.65 -8.3 -0.98 0
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9156 86675 1 N2O5C6H12 A2B5C6D12 -223.47 2.67 -10.41 0.25 0
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9157 86681 2 OC7H14 AB7C14 -144.09 2.9 -9.7 0.56 0
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9158 86691 1 NO2C9H17 AB2C9D17 -87.86 2.28 -8.89 0.03 0
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9159 86754 1 SN4O4C20H24 AB4C4D20E24 -115.82 3.68 -9.0 -0.76 0
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9160 86826 1 NO2C9H17 AB2C9D17 -35.17 2.43 -9.02 1.74 0
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9161 86866 1 Cl3O4C15H19 A3B4C15D19 -186.81 4.47 -9.19 -0.78 0
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9163 86900 1 F2N4C5H6O10 A2B4C5D6E10 -167.59 4.78 -11.75 -2.08 0
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9164 86926 1 NO4H7C11 AB4C7D11 -104.18 6.98 -9.83 -2.11 0
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9165 86927 14 CH AB 26.69 0.66 -9.0 0.06 0
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9166 86928 2 OSH6C9 ABC6D9 30.1 0.97 -9.09 -1.99 0
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9167 86929 1 OH8C9 AB8C9 -2.24 1.0 -8.89 -0.15 0