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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167706 74860384 3 NOC4H6 ABC4D6 -118.68 2.15 0.0 0.0 0
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167707 74860471 1 NO4C16H21 AB4C16D21 -153.05 2.74 -9.52 -1.06 0
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167708 74860846 1 ClSN3O5H14C17 ABC3D5E14F17 -57.03 8.47 -9.36 -1.81 0
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167709 74860847 1 SCl2N2O3C19H20 AB2C2D3E19F20 -111.01 2.99 -8.55 -1.26 1
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167710 74860970 1 SN4O7C22H31 AB4C7D22E31 -266.97 5.97 0.0 0.0 0
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167711 74860995 1 OS3N5C23H25 AB3C5D23E25 58.49 6.11 -8.67 -0.95 0
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167712 74861341 1 N2O5C21H28 A2B5C21D28 -214.29 4.95 -9.07 -0.98 0
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167713 74861501 1 SO2N5C23H33 AB2C5D23E33 -64.88 3.58 -8.86 -0.58 0
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167714 74861738 1 SN2O5H20C23 AB2C5D20E23 -63.7 1.15 -9.08 -1.1 0
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167715 74861742 1 SN2O5C24H24 AB2C5D24E24 -126.24 7.51 -8.6 -0.75 0
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167716 74861784 1 O2S2N5H17C18 A2B2C5D17E18 12.43 5.44 -8.56 -0.93 0
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167717 74862651 1 N3O6H21C22 A3B6C21D22 -106.77 3.7 -8.55 -0.96 0
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167718 74862914 1 SO2N3C13H17 AB2C3D13E17 -30.94 3.52 -8.65 -0.71 0
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167719 74863062 1 N3O3C19H19 A3B3C19D19 -43.67 4.15 -9.1 -0.37 0
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167720 74863063 1 O3N4H16C19 A3B4C16D19 -3.81 8.63 -9.32 -1.07 0
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167721 74863104 1 OS2N6H20C24 AB2C6D20E24 146.07 10.93 -8.81 -1.1 0
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167722 74863290 3 NOC7H9 ABC7D9 -65.34 7.98 -8.43 -0.08 0
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167723 74863291 1 SN4O4C20H20 AB4C4D20E20 -49.28 11.18 -9.08 -0.79 0
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167724 74863537 1 O3N7H11C15 A3B7C11D15 130.55 0.84 -9.81 -1.91 0
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167725 74863992 1 N2O3C11H14 A2B3C11D14 -73.59 3.38 -8.99 -0.11 0
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167726 74865918 1 ClN2O2H13C15 AB2C2D13E15 -8.65 2.17 -8.79 -0.95 0
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167727 74866051 1 N2O4H14C15 A2B4C14D15 -2.16 6.31 -9.25 -1.42 0
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167728 74866052 2 NOH7C8 ABC7D8 37.19 5.27 -8.96 -0.79 0
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167729 74866053 1 NO3C16H17 AB3C16D17 -37.5 2.05 -8.83 -0.31 0
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167730 74866199 1 ON5C8H13 AB5C8D13 42.36 4.28 -8.7 -0.23 0
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167731 74866200 1 OF3N4C10H13 AB3C4D10E13 -138.14 3.95 -9.03 -0.56 0
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167732 74866264 1 ON3C17H25 AB3C17D25 -34.82 5.42 -9.42 0.22 0
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167733 74866379 1 OSN6C10H12 ABC6D10E12 103.54 6.25 -9.22 -0.97 0
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167734 74866380 1 OSC6N6H12 ABC6D6E12 68.74 6.58 -9.26 -0.59 0
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167735 74866878 1 SN2O2C14H14 AB2C2D14E14 13.18 2.98 -8.36 -0.22 0
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167736 74866879 1 OSN3H11C12 ABC3D11E12 63.88 4.05 -8.9 -0.66 0
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167737 74867333 1 ON3C14H21 AB3C14D21 8.05 4.68 -8.14 0.11 0
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167738 74867334 1 ON4C13H24 AB4C13D24 21.1 4.42 -8.72 -0.91 0
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167739 74867335 1 ON4C13H20 AB4C13D20 16.08 3.31 -8.4 -0.15 0
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167740 74867375 1 ClSN4C5H7 ABC4D5E7 60.93 4.9 -8.77 -0.28 0
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167741 74867376 1 O2S2N5C12H19 A2B2C5D12E19 -63.31 2.59 -8.95 -0.7 0
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167742 74868064 1 ClO2N3H10C15 AB2C3D10E15 34.75 9.66 -9.93 -2.42 0
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167743 74868212 1 NSO3C15H19 ABC3D15E19 -109.16 4.73 -9.07 -0.77 0
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167744 74868590 1 NO3C17H21 AB3C17D21 -113.64 8.0 -9.44 -0.92 0
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167745 74868591 1 NO3C17H23 AB3C17D23 -124.74 7.37 -9.36 -0.52 0
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167746 74868592 1 NO4C15H19 AB4C15D19 -155.9 2.86 -9.45 -0.69 0
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167747 74868635 1 SO2N5C10H17 AB2C5D10E17 -33.46 4.32 -9.48 -0.79 0
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167748 74868636 1 SO2N5C11H19 AB2C5D11E19 -39.3 4.12 -9.45 -0.8 0
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167749 74868637 1 SO2N4C12H20 AB2C4D12E20 -79.28 4.56 -8.88 -0.3 0
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167750 74868663 1 BrON4H9C12 ABC4D9E12 75.9 2.87 -9.27 -1.63 0
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167751 74868907 1 FON3C11H16 ABC3D11E16 -27.43 2.14 -8.86 -0.41 0
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167752 74868908 1 ON3C7H17 AB3C7D17 -16.75 2.56 -8.73 1.06 0
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167753 74869046 1 O2N3C15H21 A2B3C15D21 -38.24 2.69 -9.16 -0.43 0
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167754 74870187 1 O2N5C12H17 A2B5C12D17 -13.84 2.65 -8.79 -0.12 0
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167755 74870188 1 O2N3C14H21 A2B3C14D21 -37.94 4.97 -9.09 -0.36 0