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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