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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413739 135086689 1 SO2C16H16 AB2C16D16 -30.19 6.83 -9.25 -0.48 0
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413740 135086690 1 NO2C13H17 AB2C13D17 -27.47 4.2 -9.1 0.06 0
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413741 135086691 2 NOC7H7 ABC7D7 -4.0 3.57 -9.14 -0.68 0
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413742 135086692 1 PO2C17H25 AB2C17D25 -106.89 1.04 -8.78 0.09 0
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413743 135086693 1 PO2C17H27 AB2C17D27 -131.75 1.16 -9.06 0.11 0
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413744 135086694 3 OC5H6 AB5C6 -120.42 3.97 -9.17 0.28 0
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413745 135086695 1 ClO3H11C12 AB3C11D12 -95.16 2.21 -9.53 -1.0 0
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413746 135086696 1 BrSN2O2H17C19 ABC2D2E17F19 -18.52 4.55 -8.66 -0.69 0
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413747 135086697 1 ClNO2H16C17 ABC2D16E17 -34.12 4.23 -9.55 -0.29 0
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413748 135086698 1 NO3C18H19 AB3C18D19 -66.88 2.71 -8.84 -0.27 0
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413749 135086699 1 NO2C18H19 AB2C18D19 -35.61 2.46 -9.22 -0.07 0
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413750 135086700 1 NO2C18H19 AB2C18D19 -35.11 4.07 -9.28 -0.15 0
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413751 135086701 1 NF3H12C18 AB3C12D18 -70.61 4.25 -8.9 -1.06 0
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413752 135086702 1 NF3H12C18 AB3C12D18 -71.51 4.76 -9.09 -1.09 0
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413753 135086703 1 BrO3C13H13 AB3C13D13 -93.63 4.14 -9.58 -0.45 0
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413754 135086704 1 BrSN2O2H19C20 ABC2D2E19F20 -25.31 9.28 -9.15 -0.6 0
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413755 135086705 1 NOF3H14C20 ABC3D14E20 -120.36 3.98 -9.01 -1.04 0
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413756 135086706 2 O2C8H9 A2B8C9 -109.69 2.11 -9.54 -0.22 0
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413757 135086707 1 O4C17H20 A4B17C20 -103.63 4.02 -9.37 -0.26 0
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413758 135086708 1 NF3O5C16H18 AB3C5D16E18 -365.99 0.33 -10.24 -1.24 0
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413759 135086709 1 N3O4C16H21 A3B4C16D21 -123.85 1.83 -9.62 -0.51 1
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413760 135086710 1 N3O4C16H22 A3B4C16D22 -113.11 3.34 0.0 0.0 0
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413761 135086711 1 N3O4C17H23 A3B4C17D23 -134.07 2.34 -9.4 -0.45 1
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413762 135086712 1 N3O4C17H24 A3B4C17D24 -130.46 4.26 0.0 0.0 0
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413763 135086713 1 O4C17H20 A4B17C20 -114.09 5.87 -9.5 -0.15 0