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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404761 135070601 1 FS2O5C19H21 AB2C5D19E21 -205.55 4.09 -9.81 -0.75 0
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404762 135070602 1 FS2O5C20H21 AB2C5D20E21 -200.09 2.1 -9.9 -0.68 0
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404763 135070639 1 N2O2C21H24 A2B2C21D24 -29.86 4.73 -9.41 -0.19 0
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404764 135070643 2 O3C5H6 A3B5C6 -235.59 3.91 -11.04 -0.14 0
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404765 135070657 1 FNO8C11H18 ABC8D11E18 -422.93 5.58 -10.33 -0.14 0
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404766 135070658 1 NO7C8H15 AB7C8D15 -314.88 3.17 -10.44 -0.07 0
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404767 135070659 1 N2O11C23H34 A2B11C23D34 -508.43 7.28 -9.66 -0.13 -2
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404768 135070661 1 SO4H8C11 AB4C8D11 -102.18 1.5 -8.79 -0.29 0
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404769 135070662 2 NC11H17 AB11C17 -16.46 3.12 -8.11 0.22 -1
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404770 135070663 1 FN2O2H4C6 AB2C2D4E6 -2.85 11.75 0.0 0.0 -2
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404771 135070664 1 NO4C11H11 AB4C11D11 -142.8 1.58 -9.09 0.33 -1
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404772 135070665 1 O2N3C6H6 A2B3C6D6 29.07 18.56 0.0 0.0 0
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404773 135070782 1 BrO3C13H15 AB3C13D15 -107.94 3.42 -9.74 -0.32 0
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404774 135070790 2 NOC6H6 ABC6D6 -39.31 8.92 -8.92 -0.63 -2
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404775 135070792 1 PC6O9H11 AB6C9D11 -342.64 3.01 -10.42 -2.0 0
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404776 135070793 1 NO3H13C16 AB3C13D16 -53.94 3.59 -9.07 -0.89 0
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404777 135070794 1 O4C11H20 A4B11C20 -218.08 2.02 -10.56 0.69 0
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404778 135070795 1 SiO2C15H30 AB2C15D30 -145.66 2.61 -9.14 1.33 0
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404780 135070842 2 OC7H14 AB7C14 -152.91 3.35 -10.16 2.03 -1
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404781 135070897 1 NO4C11H14 AB4C11D14 -135.55 1.29 0.0 0.0 0
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404782 135070901 1 N2O5C13H18 A2B5C13D18 -208.22 2.9 -9.55 0.08 0
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404783 135070907 1 NO3C17H19 AB3C17D19 -83.09 2.28 -8.53 -0.44 0
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404784 135070912 1 FNO5H26C27 ABC5D26E27 -184.06 1.74 -8.55 -0.26 0
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404785 135070918 2 O3C8H9 A3B8C9 -228.38 3.84 -8.43 -0.74 0
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404786 135070919 1 BrNO5H26C27 ABC5D26E27 -136.15 2.95 -8.88 -0.45 0
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404787 135070920 1 O7C20H20 A7B20C20 -247.28 4.47 -9.11 -0.54 0
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404788 135070921 4 O2C5H5 A2B5C5 -277.52 3.66 -8.81 -0.52 0
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404789 135070922 1 SN3O3C24H29 AB3C3D24E29 -43.33 2.89 -8.58 -0.44 0
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404790 135070923 1 N3O4C30H45 A3B4C30D45 -82.09 13.1 -7.25 -0.86 0
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404791 135070924 1 N3O6C37H51 A3B6C37D51 -184.62 3.56 -8.04 -0.33 0
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404792 135071001 1 FSN2O2H15C16 ABC2D2E15F16 -54.58 8.72 -10.04 -0.59 0
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404793 135071054 1 FC14H19 AB14C19 -40.56 1.6 -9.09 0.4 0
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404794 135071055 1 O2C17H18 A2B17C18 -57.08 2.85 -9.57 0.1 0
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404795 135071057 1 N2C13H18 A2B13C18 12.66 2.05 -8.1 0.55 0
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404796 135071058 1 ON2C13H16 AB2C13D16 -29.73 5.0 -8.87 -0.3 0
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404797 135071059 1 NC12H19 AB12C19 19.03 3.05 -9.24 0.65 0
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404798 135071060 1 ClO2C12H13 AB2C12D13 -90.85 5.4 -9.85 -0.46 0
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404799 135071062 1 N2O2H10C17 A2B2C10D17 42.83 1.22 -10.36 -1.47 0
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404800 135071066 1 NO5C16H27 AB5C16D27 -252.23 5.02 -10.47 -0.13 0
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404801 135071067 1 ON2C28H42 AB2C28D42 -31.58 5.86 -8.01 0.42 0
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404802 135071096 1 NPO4C12H22 ABC4D12E22 -249.18 5.06 -11.05 0.27 1
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404803 135071107 1 PN2O5C11H20 AB2C5D11E20 -221.67 1.24 0.0 0.0 0
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404804 135071149 2 NO2H12C13 AB2C12D13 -60.11 4.49 -9.43 -0.47 0
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404805 135071150 3 OC6H6 AB6C6 -83.18 3.16 -9.43 -0.13 0
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404806 135071152 1 O3C14H28 A3B14C28 -200.42 3.49 -10.12 2.08 0
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404807 135071201 2 OC7H12 AB7C12 -112.53 4.5 -9.75 -0.26 0
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404808 135071205 1 O3H16C17 A3B16C17 -44.21 5.14 -8.92 -0.74 0
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404809 135071210 1 N2C19H20 A2B19C20 84.6 5.44 -9.35 -0.6 0
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404810 135071211 1 NC17H19 AB17C19 60.08 1.17 -9.05 0.27 0
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404811 135071212 1 SnO2C17H34 AB2C17D34 -147.11 0.6 -9.74 0.41 0