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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166794 74734724 1 SO2N3C22H26 AB2C3D22E26 54.59 19.4 0.0 0.0 1
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166795 74734926 1 F3N3C17H19 A3B3C17D19 -84.85 3.13 0.0 0.0 0
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166796 74734927 1 F3N3C17H18 A3B3C17D18 -97.66 3.27 -9.18 -1.0 1
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166797 74734928 1 OF3N3C22H23 AB3C3D22E23 -85.84 4.28 0.0 0.0 0
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166798 74734929 1 OF3N3C22H22 AB3C3D22E22 -103.93 4.15 -9.18 -0.98 1
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166799 74735261 1 N4O5C24H33 A4B5C24D33 -135.03 8.47 0.0 0.0 0
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166800 74735451 1 O3N5C28H33 A3B5C28D33 -23.98 2.29 -7.83 -0.44 1
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166801 74735574 1 SO3N5C25H30 AB3C5D25E30 13.54 6.5 0.0 0.0 0
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166802 74735575 1 SO3N5C25H29 AB3C5D25E29 -19.42 6.51 -8.57 -0.66 1
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166803 74735576 1 O2N5C19H28 A2B5C19D28 5.05 4.71 0.0 0.0 0
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166804 74735577 1 O2N5C19H27 A2B5C19D27 -28.31 6.25 -8.5 0.22 1
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166805 74735820 1 O3N5C27H40 A3B5C27D40 -53.77 4.48 0.0 0.0 2
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166806 74735937 1 O2N3S3C17H29 A2B3C3D17E29 44.49 5.79 -6.15 -1.01 2
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166807 74735938 1 O2S2N3C19H31 A2B2C3D19E31 5.13 6.51 -7.32 -0.76 2
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166808 74735939 1 S2N3O3C20H33 A2B3C3D20E33 -38.09 8.54 -7.82 -0.67 2
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166809 74735940 1 OS2N4C17H34 AB2C4D17E34 -54.95 4.87 -8.35 0.36 2
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166810 74735941 1 OS2N4C19H32 AB2C4D19E32 110.05 9.38 -3.0 -0.18 2
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166811 74736366 2 ON3C14H18 AB3C14D18 99.2 17.08 -3.9 -0.87 0
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166812 74737042 1 SN3O8C17H21 AB3C8D17E21 -256.44 5.14 -10.01 -1.29 0
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166813 74737051 1 SN2O6C17H24 AB2C6D17E24 -235.04 5.61 -9.5 -0.69 1
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166814 74737262 1 BrN3O3C20H27 AB3C3D20E27 -105.8 13.47 0.0 0.0 0
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166815 74737286 1 ClO2N7C23H26 AB2C7D23E26 16.04 4.52 -8.8 -0.2 1
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166816 74737372 1 N7C26H38 A7B26C38 98.35 8.12 0.0 0.0 1
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166817 74737608 1 N2O5C29H39 A2B5C29D39 -162.84 5.05 0.0 0.0 1
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166818 74738015 1 ClOS2N3H17C20 ABC2D3E17F20 82.71 15.73 0.0 0.0 1