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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39103 8139701 1 ON2C20H27 AB2C20D27 0.73 3.68 0.0 0.0 0
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39104 8139704 1 BrClON2C17H18 ABCD2E17F18 -3.13 5.78 -9.21 -0.67 0
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39105 8139705 1 ClNO4C13H16 ABC4D13E16 -159.99 3.76 -9.28 -0.27 1
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39106 8139706 1 SN3O4C21H28 AB3C4D21E28 -90.61 3.91 0.0 0.0 0
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39107 8139707 1 SN3O4C21H27 AB3C4D21E27 -109.12 4.03 -8.75 -1.02 0
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39108 8139708 1 ClN3O4C16H18 AB3C4D16E18 -114.0 4.08 -8.56 -0.5 1
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39109 8139709 1 SN3O3C22H30 AB3C3D22E30 -59.7 5.74 0.0 0.0 0
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39110 8139710 1 SN3O3C22H29 AB3C3D22E29 -87.66 4.02 -9.21 -0.6 1
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39111 8139711 1 SN3O3C23H26 AB3C3D23E26 -26.5 6.34 0.0 0.0 0
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39112 8139712 1 SN3O3C23H25 AB3C3D23E25 -46.75 8.84 -8.85 -1.0 1
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39113 8139713 1 ClOSN2C22H24 ABCD2E22F24 2.67 2.57 0.0 0.0 0
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39114 8139714 1 ClOSN2C22H23 ABCD2E22F23 15.54 4.47 -8.5 -1.17 1
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39115 8139715 1 N2O4C20H27 A2B4C20D27 -95.47 3.76 0.0 0.0 0
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39116 8139716 2 NO2C10H13 AB2C10D13 -111.44 5.2 -8.4 -0.33 0
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39117 8139717 1 SN2O5C18H22 AB2C5D18E22 -178.25 8.48 -8.62 -1.69 1
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39118 8139718 1 N3O3C18H22 A3B3C18D22 6.68 3.37 0.0 0.0 0
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39119 8139720 1 SN2O5C18H22 AB2C5D18E22 -178.92 3.91 -8.6 -1.55 0
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39120 8139722 1 SN2O5C18H22 AB2C5D18E22 -179.79 3.38 -8.64 -1.5 1
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39121 8139723 1 OCl2N2C18H21 AB2C2D18E21 -5.19 2.2 0.0 0.0 0
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39122 8139725 1 SN2O5C18H22 AB2C5D18E22 -189.16 2.51 -8.69 -1.58 1
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39123 8139726 1 FN2O2C20H24 AB2C2D20E24 -92.56 5.33 0.0 0.0 0
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39124 8139727 1 FN2O2C20H23 AB2C2D20E23 -92.47 6.1 -9.28 -0.28 1
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39125 8139728 1 N2O2C22H25 A2B2C22D25 -1.6 13.11 0.0 0.0 0
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39126 8139732 1 N2O3C19H24 A2B3C19D24 -70.93 5.17 -8.66 -0.27 1
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39127 8139735 1 ON2F3C19H22 AB2C3D19E22 -149.98 1.77 0.0 0.0 0
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39128 8139736 1 ON2F3C19H21 AB2C3D19E21 -169.96 3.09 -9.25 -0.52 0
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39129 8139739 1 SN2O2C19H24 AB2C2D19E24 -39.19 6.49 -8.45 -0.53 0
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39130 8139741 1 N2O3C20H26 A2B3C20D26 -80.91 5.96 -8.44 0.04 1
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39131 8139757 1 ClFON2C18H21 ABCD2E18F21 -41.35 1.86 0.0 0.0 0
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39132 8139758 1 ClFON2C18H20 ABCD2E18F20 -56.94 5.12 -9.11 -0.3 0
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39133 8139759 1 N2O5C21H30 A2B5C21D30 -195.76 2.4 -8.65 0.02 0
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39134 8139762 1 O3N5C17H23 A3B5C17D23 -78.8 4.48 -8.64 -0.55 1
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39135 8139763 1 N2O3C19H25 A2B3C19D25 -61.57 1.42 0.0 0.0 0
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39136 8139764 1 N2O3C19H24 A2B3C19D24 -81.07 5.97 -8.9 0.09 0
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39137 8139774 1 ClN2O2C18H21 AB2C2D18E21 -43.61 3.91 -9.01 -0.34 0
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39138 8139775 1 NO4C18H27 AB4C18D27 -186.39 2.91 -8.78 0.22 1
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39139 8139781 1 ON2C16H23 AB2C16D23 16.34 2.4 0.0 0.0 1
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39140 8139783 1 ClN2O2C19H24 AB2C2D19E24 -32.6 6.39 0.0 0.0 0
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39141 8139784 1 ClN2O2C19H23 AB2C2D19E23 -54.63 2.1 -8.64 -0.19 0
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39142 8139785 1 SN3O3C21H23 AB3C3D21E23 -67.09 2.62 -8.99 -0.82 0
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39143 8139786 1 SN3O3C21H23 AB3C3D21E23 -67.42 1.19 -8.78 -0.72 1
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39144 8139787 1 FON2C19H22 ABC2D19E22 -10.65 15.88 0.0 0.0 0
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39145 8139788 1 FON2C19H21 ABC2D19E21 -31.83 3.67 -8.85 -0.61 0
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39146 8139789 1 SN3O3C21H23 AB3C3D21E23 -77.59 2.42 -8.8 -0.74 1
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39147 8139790 1 ClON2C19H22 ABC2D19E22 24.32 3.51 0.0 0.0 1
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39148 8139797 1 ON4C18H21 AB4C18D21 57.23 4.71 0.0 0.0 0
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39149 8139798 1 ON4C18H20 AB4C18D20 40.33 3.58 -8.55 -0.7 0
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39150 8139800 1 SN2O3C24H24 AB2C3D24E24 -56.87 2.56 -8.85 -1.22 0
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39151 8139802 2 NOC10H12 ABC10D12 -24.66 6.84 -8.83 -0.39 1
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39152 8139806 1 ON2C25H29 AB2C25D29 38.64 1.8 0.0 0.0 0