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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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386812 134983013 1 NOC16H19 ABC16D19 35.51 5.73 -9.34 -0.8 0
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386813 134983015 1 OC8H14 AB8C14 -47.9 2.55 -9.34 0.6 0
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386814 134983019 2 O2C6H9 A2B6C9 -163.84 2.65 -9.56 0.43 -1
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386815 134983026 1 FeO7H18C19 AB7C18D19 -186.26 5.22 -7.6 -0.86 0
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386816 134983032 1 SiO2C14H22 AB2C14D22 -110.25 3.9 -9.55 0.64 0
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386817 134983033 1 SO2H16C18 AB2C16D18 -11.27 5.73 -9.44 -0.34 0
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386818 134983034 1 NSiO4C29H39 ABC4D29E39 -137.51 1.73 -8.68 -0.03 -2
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386820 134983043 1 OSi3C16H36 AB3C16D36 -172.32 1.62 -7.72 0.62 0
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386821 134983050 1 SSi2C24H42 AB2C24D42 -74.78 3.16 -8.11 0.66 0
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386822 134983052 1 NO4C15H23 AB4C15D23 -186.28 3.26 -9.98 0.16 0
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386823 134983053 1 NO4C15H23 AB4C15D23 -97.23 2.83 -9.82 0.16 0
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386824 134983055 1 O2C19H20 A2B19C20 -29.97 2.55 -8.82 -0.36 0
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386825 134983057 1 O3C13H16 A3B13C16 -80.92 2.7 -7.97 0.11 0
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386826 134983059 1 SiO2C20H32 AB2C20D32 -157.06 2.48 -8.52 0.39 0
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386827 134983061 1 SO2C19H22 AB2C19D22 -45.94 2.14 -8.19 0.07 0
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386828 134983062 1 SO3C20H24 AB3C20D24 -82.41 4.23 -8.16 0.24 0
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386829 134983063 1 FO6H15C19 AB6C15D19 -214.64 4.44 -9.06 -1.18 0
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386830 134983064 1 OC27H28 AB27C28 0.81 2.71 -8.36 -0.52 0
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386831 134983072 1 IC19H19 AB19C19 58.97 1.95 -8.9 -0.62 0
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386832 134983074 1 IH19C23 AB19C23 97.86 1.65 -8.79 -0.73 0
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386833 134983075 1 O4C17H20 A4B17C20 -154.82 2.3 -8.86 -0.3 0
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386834 134983082 1 O4C41H58 A4B41C58 -198.53 4.2 -8.04 -0.63 0
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386836 134983089 1 OC27H32 AB27C32 -4.3 2.93 -8.59 -1.22 0
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386837 134983092 2 SiC14H22 AB14C22 -31.26 0.63 -7.94 -0.14 0
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386838 134983095 1 ClNO3H24C25 ABC3D24E25 -56.68 5.05 -8.5 -0.13 0
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386839 134983099 1 NSO2H13C15 ABC2D13E15 73.62 4.59 -8.49 -1.45 0
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386840 134983109 1 NO2Si2C19H39 AB2C2D19E39 -187.69 3.87 -8.78 -0.12 0
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386841 134983110 1 OC11H20 AB11C20 -47.96 2.91 -8.9 0.63 0
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386842 134983111 1 SiO2C22H38 AB2C22D38 -163.7 5.23 -8.6 -0.26 0
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386843 134983112 1 OC16H20 AB16C20 -17.82 3.13 -9.04 -0.63 0
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386844 134983114 1 LiOC14H17 ABC14D17 -47.61 3.89 -8.0 0.23 0
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386846 134983120 2 C7H9 A7B9 25.4 0.52 -8.61 0.64 0
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386847 134983130 1 SiO3C16H28 AB3C16D28 -133.02 2.35 -7.79 0.59 0
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386848 134983131 1 IO2Si2C21H43 AB2C2D21E43 -214.41 3.47 -9.2 -0.62 0
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386849 134983137 1 OSiC21H36 ABC21D36 -84.36 1.39 -8.79 0.46 0
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386850 134983138 6 H10C13 A10B13 460.06 2.95 -7.56 -0.55 0
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386851 134983141 2 C11H14 A11B14 166.55 3.65 -7.9 -0.98 0
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386853 134983151 2 O2H11C12 A2B11C12 -49.61 2.41 -8.44 -0.08 0
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386854 134983152 2 OH13C18 AB13C18 74.48 3.04 -8.35 -0.5 0
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386855 134983155 1 BrO6C37H39 AB6C37D39 -136.13 5.95 -9.29 -0.33 0
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386856 134983159 8 H3C4 A3B4 105.04 0.01 -8.66 -0.52 0
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386857 134983160 4 C6H7 A6B7 105.42 1.71 -8.54 0.92 0
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386858 134983161 1 SiO2C24H24 AB2C24D24 -35.2 1.35 -9.38 -0.11 0
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386859 134983168 1 NO2C24H25 AB2C24D25 -18.31 3.79 -8.46 0.0 0
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386860 134983169 1 C11H16 A11B16 42.87 0.52 -9.27 0.69 0
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386861 134983172 3 FOC3H3 ABC3D3 -247.74 6.77 -10.8 -1.79 0
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386862 134983178 2 OC7H7 AB7C7 -34.6 5.06 -9.56 -0.94 0
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386863 134983182 1 C8H13 A8B13 9.56 0.59 0.0 0.0 0
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386864 134983183 1 FePSO5H29C33 ABCD5E29F33 -159.9 8.37 -8.47 -0.44 0
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386865 134983185 1 FeNPSO7H28C33 ABCDE7F28G33 2.26 8.18 -8.51 -1.2 0