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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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255900 103135498 1 SO5C14H18 AB5C14D18 -211.07 4.55 -10.06 -1.09 0
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255901 103135510 1 N3C16H23 A3B16C23 48.13 3.3 -8.74 0.63 0
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255902 103135512 1 N3C11H19 A3B11C19 45.39 2.15 -8.66 0.92 0
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255903 103135513 1 SCl2O5C13H14 AB2C5D13E14 -210.3 2.83 -10.14 -1.65 0
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255904 103135519 1 SO5C15H20 AB5C15D20 -214.23 5.6 -9.98 -1.04 0
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255905 103135535 1 O3C16H18 A3B16C18 -104.86 2.22 -8.74 -0.46 0
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255906 103135536 1 ClFN3C13H15 ABC3D13E15 5.64 4.0 -8.95 -0.18 0
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255907 103135555 1 N6C13H14 A6B13C14 134.1 3.27 -9.18 -0.68 0
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255908 103135559 1 BrON3H12C13 ABC3D12E13 55.43 3.59 -9.18 -0.6 -1
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255909 103135567 1 BO2F3C12H15 AB2C3D12E15 -301.17 13.94 0.0 0.0 0
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255910 103135574 4 NC3H4 AB3C4 64.23 3.95 -9.28 -0.06 0
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255911 103135583 1 ON3C12H17 AB3C12D17 20.55 4.81 -9.0 0.64 0
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255912 103135585 3 NC5H7 AB5C7 49.15 1.96 -8.77 0.6 0
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255913 103135592 1 ClON3C14H18 ABC3D14E18 9.67 5.13 -9.0 -0.05 0
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255914 103135593 1 BFO4C12H16 ABC4D12E16 -276.89 2.83 -9.45 -0.35 0
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255915 103135607 1 BFO4C12H16 ABC4D12E16 -271.63 3.17 -9.12 -0.25 0
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255916 103135612 1 SN5C14H23 AB5C14D23 66.25 6.87 -9.18 -0.46 0
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255917 103135617 3 FNC5H8 ABC5D8 -157.36 6.65 -9.01 0.57 0
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255918 103135622 1 NSO6C13H17 ABC6D13E17 -234.27 4.65 -10.14 -1.12 0
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255919 103135623 1 NSO6C13H17 ABC6D13E17 -234.89 8.75 -10.32 -1.16 0
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255920 103135624 1 NSO4C14H21 ABC4D14E21 -169.93 7.49 -9.33 -0.27 0
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255921 103135637 1 ClSN3C12H16 ABC3D12E16 53.69 2.65 -8.84 -0.24 0
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255922 103135643 1 ClON3C12H14 ABC3D12E14 15.61 2.1 -8.95 -0.12 0
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255923 103135672 1 NO2C12H23 AB2C12D23 -113.28 2.57 -8.84 1.68 0
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255924 103135695 1 BrN3C16H16 AB3C16D16 85.1 5.14 -8.8 -0.51 0
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255925 103135696 1 NO2C10H21 AB2C10D21 -119.68 2.52 -9.3 1.68 0
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255926 103135697 1 N3C12H19 A3B12C19 51.66 2.98 -8.66 0.83 0
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255927 103135699 1 NO2C13H25 AB2C13D25 -125.58 1.93 -9.31 1.69 0
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255928 103135702 1 NO2C11H23 AB2C11D23 -121.47 1.04 -9.27 1.76 0
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255929 103135703 1 NO2C14H27 AB2C14D27 -124.64 2.29 -9.21 1.69 0
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255930 103135709 1 ClFN3C13H15 ABC3D13E15 9.75 1.95 -8.82 -0.31 0
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255931 103135710 1 NO2C11H21 AB2C11D21 -99.0 2.53 -9.38 1.82 0
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255932 103135715 1 NO2C11H21 AB2C11D21 -115.41 1.12 -9.48 1.76 0
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255933 103135727 1 NO4C18H33 AB4C18D33 -237.68 3.0 -9.21 0.96 0
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255934 103135735 1 NO3C11H21 AB3C11D21 -144.61 1.85 -9.05 1.34 0
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255935 103135736 1 BrN3C14H18 AB3C14D18 54.75 1.91 -8.88 0.15 0
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255936 103135738 1 NO3C13H25 AB3C13D25 -160.59 1.86 -8.93 1.42 0
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255937 103135744 1 N3C14H27 A3B14C27 0.19 2.15 -8.66 0.97 0
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255938 103135745 1 NO3C12H23 AB3C12D23 -152.35 1.84 -8.96 1.39 0
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255939 103135747 1 F2N3C14H17 A2B3C14D17 -40.76 3.45 -9.05 -0.08 0
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255940 103135775 1 O2C17H22 A2B17C22 -87.98 4.69 -9.47 -0.1 0
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255941 103135780 1 O2C15H26 A2B15C26 -135.09 4.27 -9.39 0.71 0
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255942 103135781 1 SN5C10H15 AB5C10D15 88.61 5.94 -9.25 -0.67 0
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255943 103135808 1 NOC14H21 ABC14D21 -46.06 1.06 -9.16 0.27 0
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255944 103135815 1 NOC17H27 ABC17D27 -55.46 2.07 -8.91 0.38 0
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255945 103135832 1 NOC13H27 ABC13D27 -91.44 2.93 -8.62 2.46 0
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255946 103135835 1 NOC18H27 ABC18D27 -56.1 1.69 -8.84 0.33 0
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255947 103135837 1 NOC17H25 ABC17D25 -51.63 2.52 -8.81 0.3 0
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255948 103135839 1 NOC19H29 ABC19D29 -59.68 2.6 -8.73 0.5 0
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255949 103135843 1 FN3H16C17 AB3C16D17 33.75 3.77 -9.2 -0.8 0