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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133486 51534245 1 N2O3C25H28 A2B3C25D28 -118.26 8.62 -9.05 -1.75 0
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133487 51534276 1 SN2O3C20H28 AB2C3D20E28 -125.93 3.03 -9.37 -0.66 0
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133488 51534375 1 ClSN2O3C23H27 ABC2D3E23F27 -102.61 5.73 -8.98 -1.0 1
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133489 51534479 1 ON3C7H10 AB3C7D10 24.94 1.41 0.0 0.0 1
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133490 51534757 1 SN3O5C18H18 AB3C5D18E18 -148.09 11.96 0.0 0.0 0
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133491 51535061 1 NCl3O3H14C18 AB3C3D14E18 -98.01 2.72 -8.62 -1.46 0
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133492 51535507 1 ClO2S2N3H20C21 AB2C2D3E20F21 -19.48 6.84 -8.98 -1.11 0
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133493 51535660 1 OSN3H23C24 ABC3D23E24 45.52 5.92 -8.75 -0.58 0
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133494 51535712 2 ON2C9H11 AB2C9D11 5.32 7.46 -8.58 -0.11 1
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133495 51536185 1 ClO2N3C26H27 AB2C3D26E27 1.77 3.96 0.0 0.0 1
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133496 51536284 1 O2N5C25H36 A2B5C25D36 21.48 4.21 0.0 0.0 0
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133497 51536473 2 ClNO3H6C9 ABC3D6E9 -124.84 7.12 -10.31 -2.09 0
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133498 51536619 1 FO2N3H16C19 AB2C3D16E19 -44.58 3.8 -8.94 -0.96 0
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133499 51536674 1 FSN2O4C20H23 ABC2D4E20F23 -176.56 5.78 -9.12 -1.16 0
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133500 51536748 1 NCl2O4H11C15 AB2C4D11E15 -117.1 3.56 -9.46 -1.46 0
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133501 51537408 1 ON7C26H29 AB7C26D29 86.39 3.71 -8.69 -0.36 0
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133502 51537426 1 ClN2O3C21H25 AB2C3D21E25 -132.03 4.63 -9.22 -0.35 1
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133503 51537629 1 ClO3N4C21H32 AB3C4D21E32 -93.28 4.13 0.0 0.0 1
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133504 51537630 1 ClN3O3C27H37 AB3C3D27E37 -76.17 6.59 0.0 0.0 0
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133505 51537941 1 N2O2F3H13C15 A2B2C3D13E15 -173.77 3.94 -9.24 -0.65 0
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133506 51537942 1 N2F3O4C17H17 A2B3C4D17E17 -244.01 3.06 -8.56 -0.64 0
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133507 51538067 1 SF2N3O3C17H25 AB2C3D3E17F25 -206.86 5.85 -9.23 -1.15 1
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133508 51538102 1 O3N4C21H35 A3B4C21D35 -129.58 2.01 0.0 0.0 0
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133509 51538146 1 ClFNOSH15C16 ABCDEF15G16 -59.96 4.04 -9.19 -0.79 0
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133510 51538198 1 O3N4C22H24 A3B4C22D24 4.15 10.58 -8.41 -0.98 1