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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398974 135036705 1 NS2C10H17 AB2C10D17 9.41 4.11 -8.38 -0.03 0
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398975 135036706 1 NO2C11H13 AB2C11D13 -0.98 4.44 -9.72 -0.43 0
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398976 135036723 2 O2C5H6 A2B5C6 -131.65 2.33 -10.39 -0.71 0
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398977 135036727 1 BrN2O2C9H11 AB2C2D9E11 -64.4 0.61 -9.5 -1.22 0
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398978 135036728 1 N3O4C9H13 A3B4C9D13 -89.75 2.12 -10.2 -0.34 0
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398979 135036729 1 NOC9H15 ABC9D15 -36.62 1.88 -8.77 1.08 0
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398980 135036732 1 NOC16H33 ABC16D33 -86.85 2.48 -9.39 2.26 0
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398981 135036733 1 O7C20H20 A7B20C20 -244.89 5.62 -9.16 -0.8 1
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398982 135036740 1 ClPSi2O3C10H25 ABC2D3E10F25 -264.18 4.98 0.0 0.0 0
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398983 135036743 1 LiOC8H13 ABC8D13 -0.28 7.63 -6.42 2.7 0
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398984 135036752 1 NO4C6H9 AB4C6D9 -161.47 3.98 -9.77 0.24 0
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398985 135036758 1 O5H8C12 A5B8C12 -135.63 10.67 -9.5 -1.7 0
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398986 135036784 2 O3C5H8 A3B5C8 -294.68 2.26 -10.87 0.52 0
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398987 135036785 2 NO2C6H8 AB2C6D8 -127.83 2.4 -10.17 -1.2 1
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398988 135036786 1 N2O4C12H17 A2B4C12D17 -130.44 6.24 0.0 0.0 0
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398989 135036792 1 O6C7H12 A6B7C12 -231.96 2.5 -10.35 -0.55 0
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398990 135036801 1 NO4C12H13 AB4C12D13 -108.28 4.38 -10.2 -2.0 0
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398991 135036805 2 OC4H5 AB4C5 -53.49 5.46 -10.64 0.76 0
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398992 135036806 1 O5C12H20 A5B12C20 -252.46 4.29 -10.04 0.55 0
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398993 135036812 1 PO5C13H23 AB5C13D23 -266.86 5.45 -10.4 0.46 0
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398994 135036813 1 KNSH4C5 ABCD4E5 1.27 10.33 -7.04 -0.24 0
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398996 135036829 1 NO4C15H19 AB4C15D19 -142.73 4.78 -9.54 -0.13 0
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398997 135036830 1 SC14H20 AB14C20 -15.09 1.75 -8.68 0.2 0
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398998 135036838 3 OH4C5 AB4C5 -61.61 4.79 -9.48 -0.82 0
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398999 135036851 1 SiO2C14H28 AB2C14D28 -155.17 2.56 -9.34 0.46 0
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399000 135036854 3 OC5H6 AB5C6 -65.26 5.66 -9.62 0.08 0
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399001 135036884 1 O5C13H22 A5B13C22 -233.47 2.44 -10.07 0.53 0
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399002 135036899 1 N3O5C10H13 A3B5C10D13 -141.17 1.59 -9.79 -0.12 0
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399003 135036923 1 NO2C16H21 AB2C16D21 -73.0 2.06 -8.41 0.09 0
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399004 135036962 1 SC15H22 AB15C22 -0.55 0.95 -8.1 0.55 0
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399005 135036974 1 NO4C12H23 AB4C12D23 -192.94 5.09 -9.71 0.33 0
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399006 135036986 1 O3C8H14 A3B8C14 -129.83 3.24 -9.98 0.96 0
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399007 135036992 1 N3C9H13 A3B9C13 76.67 4.19 -9.07 0.75 0
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399008 135036994 1 BrOC12H13 ABC12D13 2.83 3.09 -9.31 -0.44 0
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399009 135037009 1 RuO3C11H15 AB3C11D15 28.29 6.89 0.0 0.0 0
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399010 135037015 1 BrO4C12H19 AB4C12D19 -197.0 4.29 -10.26 -0.16 0
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399011 135037016 1 NPO3C5H8 ABC3D5E8 -141.56 3.3 -9.56 -0.42 0
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399012 135037021 1 O5C15H18 A5B15C18 -184.24 4.41 -9.8 -0.23 0
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399013 135037022 1 SO3C15H20 AB3C15D20 -100.31 4.17 -8.6 -0.31 1
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399014 135037027 1 NOC14H28 ABC14D28 -75.2 1.34 0.0 0.0 0
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399015 135037055 2 NO2C5H7 AB2C5D7 -183.11 4.61 -10.49 -0.48 0
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399017 135037059 1 SeC2O2H8 AB2C2D8 -79.87 1.45 -8.85 0.18 0
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399018 135037060 1 SeC2O2H7 AB2C2D7 7.64 1.55 0.0 0.0 -1
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399019 135037081 1 O7C12H17 A7B12C17 -278.32 4.04 0.0 0.0 0
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399020 135037082 1 O7C12H18 A7B12C18 -327.1 3.0 -10.72 0.27 0
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399021 135037085 1 ClOH15C17 ABC15D17 -5.76 1.93 -8.62 -0.31 0
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399022 135037087 1 SiO2C12H20 AB2C12D20 -61.89 2.58 -9.93 0.24 0
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399023 135037094 1 OC12H22 AB12C22 -69.01 3.43 -9.57 0.82 0
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399024 135037108 2 OC9H13 AB9C13 -82.42 2.27 -9.63 0.16 0
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399025 135037129 1 NO3C13H23 AB3C13D23 -159.39 3.98 -8.65 0.82 0