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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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180765 76683059 1 FN3O6C25H36 AB3C6D25E36 -317.97 8.76 -9.48 -0.1 0
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180766 76683060 1 SiN3O8C26H43 AB3C8D26E43 -360.54 2.52 -8.9 -2.66 0
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180767 76683061 1 O2C15H18 A2B15C18 -63.9 1.68 -8.94 0.14 0
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180768 76683197 1 O4N5C16H27 A4B5C16D27 -169.99 5.03 -9.88 -0.53 0
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180769 76683198 1 N5O5C18H29 A5B5C18D29 -199.09 5.43 -9.62 -0.73 0
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180770 76683199 1 O5N6C20H34 A5B6C20D34 -221.26 2.44 -9.79 -0.51 0
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180771 76683366 1 N2O5C31H54 A2B5C31D54 -247.15 3.29 -8.06 0.4 0
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180772 76683367 1 NO6C31H53 AB6C31D53 -292.11 4.0 -8.17 0.29 0
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180773 76683368 1 N2O7C38H64 A2B7C38D64 -372.1 4.89 -8.01 0.47 0
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180775 76683619 1 N11O11C43H67 A11B11C43D67 -454.52 9.14 -8.61 -0.34 0
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180776 76683710 1 O4N5C24H33 A4B5C24D33 -97.9 5.31 -9.7 -1.12 0
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180777 76683711 1 N4O5C24H36 A4B5C24D36 -179.49 4.39 -9.45 -1.01 0
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180778 76684263 1 FN2C18H19 AB2C18D19 -5.57 4.2 -9.03 -0.14 0
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180779 76684264 1 NC15H21 AB15C21 -6.49 1.6 -8.7 0.64 0
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180780 76684373 1 N4O5C23H32 A4B5C23D32 -199.29 7.18 -9.8 0.32 0
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180781 76684730 2 NOC9H9 ABC9D9 -4.2 1.99 -8.96 -0.38 0
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180782 76684904 1 N2O3F6C18H18 A2B3C6D18E18 -404.22 2.34 -9.31 -0.82 0
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180783 76685129 1 SO3N4C26H26 AB3C4D26E26 -42.08 7.45 -8.87 -1.02 0
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180784 76685168 1 PtN2O5C16H28 AB2C5D16E28 -135.5 3.69 -8.87 -0.26 0
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180785 76685506 1 O3C22H40 A3B22C40 -210.74 3.24 -10.13 0.46 0
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180786 76685631 1 NO7C33H35 AB7C33D35 -143.34 3.09 -8.56 0.08 -1
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180787 76685834 1 IrN4C18H25 AB4C18D25 236.82 23.47 -9.68 -7.26 0
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180788 76685863 1 OC50H72 AB50C72 -85.14 1.95 -8.09 -0.41 -2
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180789 76685866 1 IrF4N4H14C21 AB4C4D14E21 126.24 13.35 0.0 0.0 0
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180790 76686330 1 ON2C45H82 AB2C45D82 -103.29 2.53 -8.68 1.24 0
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180791 76686409 2 O2C10H17 A2B10C17 -213.39 7.35 -9.98 0.57 0
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180792 76686542 1 NO6C42H75 AB6C42D75 -354.84 3.86 -8.99 0.68 0
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180793 76686600 1 O2N5C29H29 A2B5C29D29 25.66 5.81 -8.49 -0.83 0
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180794 76686834 1 O7N10C42H80 A7B10C42D80 -400.55 7.79 -9.33 -0.2 0
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180795 76686848 1 N11O12C52H85 A11B12C52D85 -580.7 13.02 -8.9 -0.55 0
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180796 76686849 1 N7O10C49H83 A7B10C49D83 -529.41 6.14 -9.16 -0.06 0
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180797 76686850 1 N11O13C62H101 A11B13C62D101 -632.43 9.38 -8.96 -0.53 0
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180798 76687413 1 INO9C24H34 ABC9D24E34 -349.14 7.11 -8.77 -0.89 0
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180799 76687578 1 NSO7C43H65 ABC7D43E65 -352.65 8.18 -8.94 -0.18 0
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180800 76687611 1 NO15C47H57 AB15C47D57 -544.25 8.41 -9.1 -0.43 0
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180801 76688308 1 NO4C12H21 AB4C12D21 -206.32 4.98 -10.13 0.3 0
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180802 76688309 1 OC22H28 AB22C28 -31.26 2.44 -9.3 0.28 0
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180803 76688310 1 S2N3O3C31H31 A2B3C3D31E31 -2.34 7.43 -8.89 -0.77 0
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180804 76688333 1 SN2O2C25H30 AB2C2D25E30 -21.57 3.82 -8.62 -0.41 0
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180805 76688985 1 NSO3C29H45 ABC3D29E45 -179.73 3.22 -8.73 -0.17 0
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180806 76689074 1 ClSN3O9C42H52 ABC3D9E42F52 -330.72 9.63 -8.92 -0.76 0
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180807 76689279 1 ClNSO4H20C21 ABCD4E20F21 -118.34 8.5 -8.79 -0.87 0
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180808 76689415 1 O3N5C15H21 A3B5C15D21 2.99 8.15 -8.32 -1.16 -1
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180809 76689416 1 YN2O3C12H19 AB2C3D12E19 -83.98 5.39 -6.07 0.04 -1
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180810 76689529 1 NYO3H14C16 ABC3D14E16 38.4 5.28 -5.79 -0.62 0
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180811 76689530 1 N2O3C13H18 A2B3C13D18 -87.13 5.57 -8.27 0.31 0
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180812 76689531 1 N2O3C11H14 A2B3C11D14 -79.97 2.53 -8.76 0.06 0
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180813 76689532 1 ClSN2O2C18H21 ABC2D2E18F21 -24.92 2.89 -8.14 -0.2 -1
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180814 76690054 1 IrN3C14H18 AB3C14D18 196.84 7.63 -8.83 -4.79 -2
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180815 76690386 1 IrSYN2H14C17 ABCD2E14F17 84.18 7.99 -9.2 -4.39 -2