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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216823 85086832 1 O2N3C18H19 A2B3C18D19 -25.17 3.47 -8.99 -0.5 0
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216824 85086834 1 NSO4C15H15 ABC4D15E15 -71.36 5.31 -9.05 -0.67 0
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216825 85086835 1 NO4C17H23 AB4C17D23 -160.36 3.43 -9.66 0.01 0
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216826 85086840 1 ClMnO6C9H13 ABC6D9E13 -152.8 8.54 0.0 0.0 0
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216827 85086841 1 ClO5C9H13 AB5C9D13 -185.18 2.4 -10.61 -0.13 1
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216828 85086843 1 ClO2N3C15H17 AB2C3D15E17 -25.76 8.87 0.0 0.0 0
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216829 85086847 1 FO7C13H19 AB7C13D19 -373.24 3.11 -10.28 0.41 0
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216830 85086848 2 O3C8H9 A3B8C9 -235.78 6.1 -10.31 -0.94 0
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216831 85086849 1 O5C17H22 A5B17C22 -168.7 3.65 -9.75 -0.15 0
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216832 85086850 1 N2O2H18C19 A2B2C18D19 -32.7 1.88 -8.88 -0.03 0
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216833 85086851 1 SN2O3C15H20 AB2C3D15E20 -113.02 4.51 -8.72 -0.28 0
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216834 85086852 1 OSiC20H22 ABC20D22 -0.51 2.73 -9.15 0.09 0
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216835 85086859 1 O2N3H15C18 A2B3C15D18 35.49 5.38 -8.82 -2.64 0
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216836 85086860 1 O2N3H17C18 A2B3C17D18 9.06 6.58 -8.87 -2.13 0
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216837 85086861 1 NSO4C15H17 ABC4D15E17 -70.12 5.07 -9.89 -0.44 0
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216838 85086862 1 NO4C17H25 AB4C17D25 -170.67 4.43 -8.35 0.3 0
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216839 85086863 1 NO4C17H25 AB4C17D25 -172.74 2.58 -9.36 0.34 0
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216840 85086864 1 ClN3O3C14H14 AB3C3D14E14 -37.49 3.16 -9.05 -1.11 0
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216841 85086865 1 IO2F3C7H8 AB2C3D7E8 -237.35 5.04 -9.16 -1.35 0
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216842 85086866 1 BrO2N3H10C12 AB2C3D10E12 -25.31 3.13 -8.42 -0.86 0
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216843 85086869 1 O4H16C19 A4B16C19 -51.9 5.87 -9.13 -1.0 0
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216844 85086871 1 N2O2C19H20 A2B2C19D20 -54.62 2.16 -8.13 -0.22 0
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216845 85086872 1 ON4C18H20 AB4C18D20 46.86 5.4 -9.22 -1.26 0
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216846 85086873 1 ON4C18H24 AB4C18D24 41.86 4.12 -8.84 -0.15 0
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216847 85086874 1 SO4C16H20 AB4C16D20 -115.48 2.9 -8.62 -0.31 0