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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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303671 124490029 1 NO5C17H25 AB5C17D25 -266.35 8.23 -10.07 0.21 0
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303672 124490030 1 NO5C17H25 AB5C17D25 -268.51 4.5 -10.12 -0.08 0
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303692 124490058 1 NSO8C17H25 ABC8D17E25 -333.54 4.37 -8.75 0.27 0
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303693 124490059 1 N3O7C25H27 A3B7C25D27 -262.71 6.89 -9.8 -0.77 0
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303699 124490073 1 SO10C18H22 AB10C18D22 -424.35 6.0 -10.4 -0.8 0
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303709 124490085 2 O2C12H15 A2B12C15 -153.05 3.46 -8.76 0.19 0
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303712 124490088 1 O3C21H28 A3B21C28 -141.12 9.0 -9.45 -0.4 0
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303713 124490089 1 SN3O4C13H21 AB3C4D13E21 -176.05 5.64 -9.82 -0.65 0
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303714 124490090 1 SN3O4C13H21 AB3C4D13E21 -172.64 5.41 -9.4 -0.53 0
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303717 124490094 1 O3C18H32 A3B18C32 -162.86 4.26 -9.97 0.59 0
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303718 124490095 2 NO2C7H13 AB2C7D13 -195.27 0.35 -8.78 0.72 0
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303719 124490096 1 N2O4C13H24 A2B4C13D24 -188.15 0.21 -8.88 0.7 0
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303720 124490097 1 NO2C18H19 AB2C18D19 -48.95 4.37 -8.26 -0.15 0
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303721 124490098 1 N3O6C12H13 A3B6C12D13 -180.52 3.21 -10.27 -1.12 0
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303723 124490100 1 FNO4H16C18 ABC4D16E18 -169.43 4.31 -8.94 -0.5 0
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303724 124490101 1 NO2C17H25 AB2C17D25 -88.28 0.43 -8.44 0.18 0
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303725 124490102 1 NO2C17H25 AB2C17D25 -88.65 2.7 -8.74 0.27 0
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303726 124490103 1 NO2C17H23 AB2C17D23 -68.18 3.21 -8.22 0.36 0
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303727 124490105 1 BrO2C11H19 AB2C11D19 -127.73 2.62 -10.61 -0.77 0
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303728 124490106 1 BrO2C11H19 AB2C11D19 -127.31 2.67 -10.61 -0.69 0
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303729 124490107 1 SN4O5C20H28 AB4C5D20E28 -184.61 4.94 -9.63 -1.47 0
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303730 124490108 1 SN4O5C20H28 AB4C5D20E28 -183.48 2.81 -9.6 -1.47 0
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303732 124490110 1 O4C17H24 A4B17C24 -179.5 2.41 -8.82 0.24 0
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303733 124490111 1 SN4O4C21H30 AB4C4D21E30 -160.45 3.8 -9.68 -1.48 0
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303734 124490112 1 SN4O4C21H30 AB4C4D21E30 -159.47 4.48 -9.64 -1.52 0
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303735 124490113 3 OC6H8 AB6C8 -121.73 0.79 -8.58 0.32 0
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303736 124490114 1 ClNOC16H16 ABCD16E16 4.36 0.73 -8.6 0.03 0
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303737 124490115 1 N2O6C11H12 A2B6C11D12 -172.61 9.39 -10.08 -0.8 0
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303738 124490116 1 N2O6C11H12 A2B6C11D12 -174.2 10.06 -9.94 -0.62 0
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303739 124490117 1 NSO5C9H19 ABC5D9E19 -239.65 2.8 -8.86 0.24 0
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303740 124490118 1 O3C19H22 A3B19C22 -31.76 2.03 -9.02 -0.67 0
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303741 124490121 1 NOC13H19 ABC13D19 -37.56 1.47 -8.64 0.34 0
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303742 124490122 1 NOC13H19 ABC13D19 -37.06 1.65 -8.64 0.34 0
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303743 124490123 1 NOC14H21 ABC14D21 -40.11 2.48 -8.45 0.21 0
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303744 124490124 1 NOC14H21 ABC14D21 -41.14 3.24 -8.91 0.45 0
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303746 124490126 1 NOC14H19 ABC14D19 -39.69 2.44 -8.79 0.32 0
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303748 124490128 1 NO3C14H19 AB3C14D19 -112.42 2.76 -8.47 0.17 0
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303749 124490129 1 O3C10H12 A3B10C12 -118.46 2.2 -9.17 -0.06 0
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303750 124490130 1 NOC14H21 ABC14D21 -37.34 1.99 -8.62 0.29 0
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303751 124490131 1 NOC14H21 ABC14D21 -36.52 2.5 -8.26 0.1 1
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303752 124490133 1 N3O4C10H10 A3B4C10D10 12.98 5.97 0.0 0.0 0
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303753 124490134 1 NO2C15H23 AB2C15D23 -78.89 4.23 -8.45 0.53 0
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303754 124490135 1 NO2C15H23 AB2C15D23 -84.68 1.76 -8.66 0.38 0
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303755 124490136 2 OC6H9 AB6C9 -69.3 2.78 -9.6 0.96 0
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303764 124490146 1 SF2N3O3H17C21 AB2C3D3E17F21 -112.55 1.82 -9.35 -1.44 0
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303765 124490147 1 SF2N3O3H17C21 AB2C3D3E17F21 -110.57 0.53 -9.35 -1.36 0
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303766 124490148 1 SF2N2O3H18C20 AB2C2D3E18F20 -145.4 8.67 -9.58 -1.33 0
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303767 124490149 1 SF2N2O3H18C20 AB2C2D3E18F20 -145.01 7.01 -9.35 -1.24 0
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303768 124490150 1 ClO2F3H8C10 AB2C3D8E10 -216.87 2.46 -10.02 -0.85 0
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303769 124490153 1 NO4C13H17 AB4C13D17 -152.69 7.34 -8.56 -0.02 0