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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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31123 854659 1 ClNOH14C15 ABCD14E15 -14.52 4.61 -9.47 -0.26 0
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31124 854662 1 N2O3C16H20 A2B3C16D20 -131.8 3.66 -9.16 -0.32 0
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31125 854680 1 ClON2H13C15 ABC2D13E15 23.23 1.72 -8.43 -0.84 0
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31126 854685 1 ON5C20H21 AB5C20D21 81.72 5.64 -8.22 -0.19 0
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31127 854688 1 SN5C17H17 AB5C17D17 128.76 4.55 -8.25 -0.92 0
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31128 854689 1 SCl2N4H10C15 AB2C4D10E15 111.27 5.55 -9.07 -1.14 0
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31129 854704 1 O3H14C15 A3B14C15 -84.52 7.65 -9.1 -1.13 0
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31130 854706 1 O4C17H18 A4B17C18 -144.85 8.12 -9.18 -0.86 0
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31131 854707 1 O4C17H18 A4B17C18 -144.46 5.93 -9.06 -0.76 0
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31132 854708 1 O3H16C17 A3B16C17 -89.73 7.23 -8.8 -0.85 0
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31133 854711 1 N2O3H16C17 A2B3C16D17 -66.56 1.24 -8.68 -0.36 0
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31134 854713 1 Cl2N4H14C17 A2B4C14D17 88.12 4.61 -9.3 -0.57 0
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31135 854715 1 Cl2N4H14C17 A2B4C14D17 86.94 4.63 -9.26 -0.68 0
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31136 854727 1 O3H14C18 A3B14C18 -18.91 5.26 -8.72 -1.07 0
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31137 854729 1 O4H16C19 A4B16C19 -100.04 5.84 -9.17 -0.92 0
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31138 854731 3 OH6C7 AB6C7 -62.04 6.27 -8.91 -1.0 0
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31139 854732 3 OH4C5 AB4C5 -74.66 7.18 -9.06 -1.1 0
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31140 854744 1 FO4H19C20 AB4C19D20 -167.44 1.18 -8.89 -0.61 0
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31141 854746 1 NO3C17H17 AB3C17D17 -91.82 4.2 -9.36 -0.42 0
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31142 854754 1 BrON3H10C16 ABC3D10E16 69.26 2.56 -8.78 -1.57 0
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31143 854755 1 SN2O2C12H12 AB2C2D12E12 -26.14 4.4 -8.48 -0.77 0
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31144 854756 1 N3O3H9C10 A3B3C9D10 -69.33 6.09 -9.03 -1.39 0
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31145 854757 1 SN2O2H8C13 AB2C2D8E13 3.87 4.5 -9.32 -1.68 0
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31146 854759 1 ClON2H13C20 ABC2D13E20 59.44 4.35 -8.98 -0.92 0
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31147 854766 1 NO2H17C19 AB2C17D19 -18.25 5.47 -8.92 -0.74 0
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31148 854796 1 NSO4C10H11 ABC4D10E11 -149.06 7.28 -9.56 -1.22 0
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31149 854799 1 OSN3C17H17 ABC3D17E17 49.92 6.13 -8.56 -0.42 0
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31150 854804 1 ON4C14H24 AB4C14D24 -27.03 4.83 -9.52 -0.03 0
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31151 854806 2 O2H7C9 A2B7C9 -111.48 4.56 -9.42 -1.09 0
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31152 854810 1 ClNO3H14C17 ABC3D14E17 -81.04 3.7 -9.3 -0.74 0
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31153 854839 1 OCl2N3H11C13 AB2C3D11E13 -3.35 4.11 -9.06 -0.56 0
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31154 854843 1 FNO2C11H14 ABC2D11E14 -126.83 6.28 -9.88 -0.67 0
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31155 854845 1 ClNO2C16H16 ABC2D16E16 -50.85 3.22 -9.18 -0.23 0
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31156 854848 1 ClFNOH11C14 ABCDE11F14 -50.39 3.19 -9.68 -0.64 0
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31157 854858 1 NO3H15C19 AB3C15D19 -43.06 3.76 -9.36 -1.14 0
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31158 854859 1 NO3H19C21 AB3C19D21 -64.06 3.58 -9.3 -1.2 0
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31159 854875 2 NOH9C11 ABC9D11 -0.21 4.73 -8.75 -0.7 0
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31160 854883 1 ClN2O2H17C19 AB2C2D17E19 -26.67 2.9 -8.35 -0.34 0
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31161 854902 1 O5H16C19 A5B16C19 -147.9 1.94 -9.19 -0.83 0
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31162 854903 1 O3H18C23 A3B18C23 -49.32 4.38 -8.98 -0.84 0
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31163 854907 1 O6H8C11 A6B8C11 -200.49 5.42 -9.51 -1.83 0
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31164 854915 1 O5C16H18 A5B16C18 -190.73 7.7 -9.02 -0.8 0
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31165 854919 1 FO3H17C19 AB3C17D19 -125.59 6.82 -8.93 -0.75 0
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31166 854926 1 SN3O5C11H15 AB3C5D11E15 -139.95 5.98 -8.95 -0.35 1
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31167 854934 1 N2C11H13 A2B11C13 36.07 3.27 0.0 0.0 0
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31168 854939 1 O5H12C16 A5B12C16 -130.06 4.63 -8.52 -1.46 0
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31169 854940 1 ON3C9H9 AB3C9D9 25.11 1.77 -9.02 0.01 0
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31170 854948 1 NO4H11C15 AB4C11D15 -101.78 3.9 -8.85 -0.92 0
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31171 854953 1 SO3N5H11C12 AB3C5D11E12 30.1 5.05 -9.74 -1.58 0
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31172 854963 1 NSO3H15C16 ABC3D15E16 -64.71 6.35 -8.77 -1.35 0