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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150884 53790581 1 NO5C9H9 AB5C9D9 -98.02 5.35 -9.69 -1.77 0
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150885 53790582 1 NSiO3C6H14 ABC3D6E14 -74.04 2.57 0.0 0.0 0
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150886 53790583 2 O2C21H35 A2B21C35 -248.92 3.46 -9.07 0.15 0
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150887 53790584 1 N2O7C14H18 A2B7C14D18 -286.88 3.36 -9.64 -0.07 0
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150888 53790585 1 FO4C25H33 AB4C25D33 -173.31 4.41 -9.2 -0.35 1
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150889 53790586 1 N4H17C20 A4B17C20 160.55 3.33 0.0 0.0 0
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150890 53790587 2 NO2C6H6 AB2C6D6 -124.75 7.09 -10.33 -0.9 0
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150891 53790588 1 ON4C15H20 AB4C15D20 0.84 1.62 -8.63 -0.6 0
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150892 53790589 1 OPCl2C4H9 ABC2D4E9 -126.74 3.18 -10.78 0.47 0
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150893 53790590 2 N2C10H21 A2B10C21 -66.09 2.32 -8.61 3.08 0
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150894 53790591 1 N2O7C12H14 A2B7C12D14 -196.24 5.02 -8.48 -1.01 0
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150895 53790592 1 FSN3O6C17H22 ABC3D6E17F22 -271.26 5.4 -9.3 -0.66 0
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150896 53790593 1 OF4H6C10 AB4C6D10 -162.38 1.73 -10.54 -1.01 0
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150897 53790594 1 N3O5C25H31 A3B5C25D31 -178.85 5.69 -9.14 -0.37 0
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150898 53790595 1 O3N5C20H23 A3B5C20D23 -13.17 3.1 -9.46 -1.22 0
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150899 53790596 1 SN3O3H19C22 AB3C3D19E22 15.76 5.56 -8.43 -1.04 0
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150900 53790597 1 BrO2C26H27 AB2C26D27 -5.16 4.34 -8.34 -0.08 0
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150901 53790598 1 FNSO2H12C17 ABCD2E12F17 -44.75 2.4 -9.21 -1.31 0
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150902 53790599 1 NC12H21 AB12C21 -19.99 1.65 -8.32 3.03 0
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150903 53790600 1 O2C11H14 A2B11C14 -61.06 2.0 -10.15 -1.05 0
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150904 53790601 1 ClSN2C36H43 ABC2D36E43 37.98 2.45 -7.77 -0.12 0
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150905 53790602 1 N5O10C26H41 A5B10C26D41 -461.93 14.44 -9.85 -0.14 0
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150906 53790603 1 NO2C20H27 AB2C20D27 -55.2 1.65 -8.44 0.02 0
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150907 53790604 1 N2O2F6H16C23 A2B2C6D16E23 -221.01 8.96 -9.36 -0.53 0
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150908 53790605 1 BrN2O4C17H25 AB2C4D17E25 -147.32 5.25 -8.66 -0.58 0
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150909 53790606 1 NPS2C4H8 ABC2D4E8 2.33 2.88 -9.12 -1.33 0
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150910 53790607 2 NOC14H17 ABC14D17 -49.56 2.04 -8.75 -0.28 0
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150911 53790608 1 OC14H30 AB14C30 -115.52 1.52 -9.58 2.4 0
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150912 53790609 1 SiO4C24H43 AB4C24D43 -209.58 1.36 0.0 0.0 0
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150913 53790610 1 ClN2H11C13 AB2C11D13 82.35 2.22 -9.04 -0.49 0
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150914 53790611 2 C5H8 A5B8 -11.01 0.52 -9.42 1.43 0
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150915 53790612 1 O4C27H36 A4B27C36 -144.72 3.3 -8.54 -0.51 0
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150916 53790613 1 O5H10C11 A5B10C11 -181.7 6.33 -10.49 -1.89 0
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150917 53790614 1 ClN2C14H21 AB2C14D21 -3.72 5.2 -8.49 -0.28 0
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150918 53790615 1 O8C27H50 A8B27C50 -468.98 4.52 -10.57 0.15 0
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150919 53790616 1 O5C20H36 A5B20C36 -259.24 3.96 -9.55 0.16 0
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150920 53790617 1 OF2N4C13H16 AB2C4D13E16 -79.12 2.84 -9.27 -0.53 0
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150921 53790618 1 OC19H28 AB19C28 -70.82 4.7 -9.81 -0.08 0
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150922 53790619 1 ClO3C5H7 AB3C5D7 -125.94 7.61 -10.54 -1.03 0
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150923 53790620 1 Cl2N3O3H11C14 A2B3C3D11E14 -57.65 2.19 -9.94 -1.64 0
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150924 53790621 1 BrSN3O6C14H14 ABC3D6E14F14 -131.71 4.93 -9.49 -1.49 0
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150925 53790622 1 PSi3S4O9C18H45 AB3C4D9E18F45 -748.56 5.82 -8.65 -0.42 0
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150926 53790623 1 N2C13H22 A2B13C22 12.93 0.36 -8.75 0.46 0
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150927 53790624 1 ClN3O3H18C23 AB3C3D18E23 -5.32 3.76 -8.81 -0.89 0
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150928 53790625 1 FNOC12H24 ABCD12E24 -123.02 1.86 -9.55 0.98 0
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150929 53790626 1 PN6O10C35H45 AB6C10D35E45 -470.17 10.91 -8.83 -0.47 0
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150930 53790627 1 OF3C11H13 AB3C11D13 -188.58 3.9 -10.02 -1.06 0
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150931 53790628 1 N4O13C56H70 A4B13C56D70 -558.21 8.32 -8.9 -0.46 -1
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150932 53790629 1 SN2O3H11C12 AB2C3D11E12 -8.54 5.94 0.0 0.0 0
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150933 53790630 2 OC11H16 AB11C16 -120.74 1.43 -8.9 0.23 0