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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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135762 51930433 1 SO2N3C16H18 AB2C3D16E18 8.52 10.8 0.0 0.0 0
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135763 51930434 1 SN2O5C20H26 AB2C5D20E26 -172.08 9.77 -8.88 -0.86 0
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135764 51930680 1 N3O7C21H25 A3B7C21D25 -205.28 7.93 -9.74 -1.74 0
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135765 51932214 1 N2O3C23H28 A2B3C23D28 -84.38 1.9 -8.69 -0.46 0
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135766 51932215 1 N2O3C23H28 A2B3C23D28 -81.8 1.41 -8.65 -0.38 0
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135767 51932255 1 ClO2N3H20C22 AB2C3D20E22 -6.61 3.23 -8.47 -1.01 -1
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135768 51933566 1 O2S2N5H18C20 A2B2C5D18E20 79.12 3.63 0.0 0.0 0
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135769 51933866 1 ClFNSO3H15C16 ABCDE3F15G16 -141.88 1.99 -9.11 -0.65 0
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135770 51933867 1 ClFNSO3H15C16 ABCDE3F15G16 -141.95 2.01 -9.11 -0.66 0
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135771 51933868 1 NSO3C20H25 ABC3D20E25 -108.9 4.59 -9.09 -0.26 0
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135772 51934225 1 SN2O5C15H18 AB2C5D15E18 -178.21 4.1 -8.93 -1.54 1
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135773 51934510 1 Cl2N2O3C18H25 A2B2C3D18E25 -135.27 2.77 0.0 0.0 0
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135774 51934511 1 Cl2N2O3C18H24 A2B2C3D18E24 -141.92 1.82 -8.83 -0.44 1
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135775 51934543 1 BrO3N5H19C20 AB3C5D19E20 33.37 4.23 0.0 0.0 1
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135776 51934684 5 NC3H4 AB3C4 131.96 9.01 0.0 0.0 0
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135777 51934685 1 N5C15H19 A5B15C19 114.14 6.71 -9.37 -0.26 0
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135778 51934857 1 ClSO2N3C20H20 ABC2D3E20F20 7.88 5.81 -9.31 -0.88 0
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135779 51934858 1 ClSO2N3C20H20 ABC2D3E20F20 7.66 5.02 -9.37 -0.89 0
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135780 51934859 1 ClSO2N3H16C18 ABC2D3E16F18 17.31 5.19 -8.99 -1.11 0
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135781 51934895 1 FO2N3C22H24 AB2C3D22E24 -70.01 6.35 -8.96 -0.67 0
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135782 51934896 1 ClFO2N4C20H24 ABC2D4E20F24 -104.87 4.92 -8.91 -0.28 0
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135783 51934973 1 OCl2N5C20H21 AB2C5D20E21 32.87 6.36 -9.6 -0.63 0
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135784 51934974 1 OCl2N5C20H21 AB2C5D20E21 32.86 5.07 -9.55 -0.76 1
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135785 51935020 1 O3N4C23H27 A3B4C23D27 -9.8 4.73 0.0 0.0 0
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135786 51935339 1 ClN3O5H16C19 AB3C5D16E19 -127.08 6.86 -9.07 -1.01 1