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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138713 52415045 1 N3O4C21H33 A3B4C21D33 -196.32 2.03 -8.66 0.24 0
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138714 52415046 1 N2O3C17H22 A2B3C17D22 -81.5 4.63 -8.69 0.2 0
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138715 52415054 1 SN3O4C19H25 AB3C4D19E25 -133.03 2.88 -8.77 -0.62 0
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138716 52415055 1 SN3O4C21H27 AB3C4D21E27 -119.43 4.02 -8.61 -0.72 0
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138717 52415056 2 NO2C11H14 AB2C11D14 -128.86 1.72 -8.23 0.19 0
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138718 52415096 1 N2O3C21H24 A2B3C21D24 -68.76 4.68 -8.72 0.0 0
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138719 52415222 1 N3O4C19H21 A3B4C19D21 -114.42 1.37 -8.79 -0.18 0
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138720 52415375 3 NOC6H9 ABC6D9 -113.61 5.23 -8.25 0.12 1
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138721 52415909 1 ClO2N3C22H27 AB2C3D22E27 -40.18 1.57 0.0 0.0 0
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138722 52415925 1 O3N4C20H32 A3B4C20D32 -131.15 8.75 -8.99 -0.11 0
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138723 52415943 1 FO2N3C16H24 AB2C3D16E24 -149.4 2.59 -9.66 -0.09 1
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138724 52416382 1 N2C14H21 A2B14C21 64.64 2.39 0.0 0.0 0
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138725 52416383 2 NC7H10 AB7C10 39.01 2.23 -8.64 0.32 0
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138726 52416464 1 SN3C15H23 AB3C15D23 16.21 3.42 -8.25 -0.06 0
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138727 52416506 1 N3O5C12H13 A3B5C12D13 -151.23 5.47 -10.18 -0.82 0
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138728 52416652 1 O3N6C20H22 A3B6C20D22 -7.77 3.14 -8.35 -1.12 0
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138729 52416783 1 NO2S2C11H11 AB2C2D11E11 -27.43 2.41 -9.2 -0.58 0
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138730 52416817 1 NO2S2C14H15 AB2C2D14E15 -31.86 2.13 -8.97 -0.63 0
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138731 52416842 1 NSO3C18H21 ABC3D18E21 -87.5 3.7 -9.28 -0.48 0
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138732 52416886 1 FSN2O3C15H15 ABC2D3E15F15 -121.5 1.53 -9.33 -0.49 0
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138733 52417168 1 ON6C15H18 AB6C15D18 78.87 6.9 -8.81 -0.76 1
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138734 52417490 1 FN2O2C15H22 AB2C2D15E22 -100.95 6.34 0.0 0.0 0
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138735 52417491 1 FN2O2C15H21 AB2C2D15E21 -116.36 3.12 -8.85 -0.09 0
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138736 52417617 1 O3N5H21C22 A3B5C21D22 -32.53 4.94 -8.66 -1.27 0
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138737 52418183 1 O3N4C23H26 A3B4C23D26 -68.76 4.36 -8.56 -1.45 1