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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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82382 49855964 1 BClO2C19H26 ABC2D19E26 -162.9 2.87 -9.15 0.47 0
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82383 49855965 1 BClO2C18H30 ABC2D18E30 -201.58 3.36 -10.07 0.84 0
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82384 49855966 1 BFNO2Si2C24H41 ABCD2E2F24G41 -247.93 4.14 -8.39 0.17 0
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82385 49855967 1 BN2O4C32H43 AB2C4D32E43 -231.09 8.07 -9.36 0.15 0
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82386 49855968 1 BFN3O4C30H39 ABC3D4E30F39 -257.81 10.58 -9.74 -0.38 0
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82387 49855969 1 BFN3O4C30H39 ABC3D4E30F39 -259.7 8.34 -9.79 -0.4 0
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82388 49855970 1 BFN3O4C30H39 ABC3D4E30F39 -259.5 8.63 -9.78 -0.33 0
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82389 49855971 1 BrCl2O10C20H21 AB2C10D20E21 -436.85 6.09 -9.44 -0.67 0
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82390 49855972 1 ClO12C28H29 AB12C28D29 -495.02 4.36 -9.21 -0.92 0
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82391 49855973 1 ClO12C28H29 AB12C28D29 -499.49 5.25 -9.35 -0.82 0
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82392 49855974 2 ClO6C14H14 AB6C14D14 -503.79 1.36 -9.68 -1.13 0
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82393 49855975 2 ClO6C14H14 AB6C14D14 -505.19 8.38 -9.29 -0.75 0
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82394 49855976 1 O3N5C17H17 A3B5C17D17 4.48 8.58 -9.27 -0.92 0
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82395 49855977 2 NC8H9 AB8C9 66.2 2.0 -8.86 -0.42 0
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82396 49855978 2 NC6H8 AB6C8 48.56 1.71 -9.01 0.25 0
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82397 49855979 1 N2C13H18 A2B13C18 45.49 2.29 -8.88 0.46 0
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82398 49855980 2 NC6H11 AB6C11 0.39 2.23 -8.85 2.23 0
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82399 49855982 1 ClN2C12H15 AB2C12D15 38.24 1.38 -9.15 -0.18 0
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82400 49855985 2 FNC6H7 ABC6D7 -47.89 1.26 -9.23 -0.48 0
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82401 49855987 1 BrO2N3H6C12 AB2C3D6E12 85.08 6.23 -9.88 -2.41 0
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82402 49855989 1 OCl2N2H8C13 AB2C2D8E13 32.51 1.69 -8.92 -1.93 0
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82403 49855990 1 BrOCl2N2H7C13 ABC2D2E7F13 35.72 2.47 -9.15 -2.13 0
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82404 49855991 1 BrON2H13C15 ABC2D13E15 29.68 2.95 -8.66 -1.38 0
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82405 49855992 1 OBr2N2H12C15 AB2C2D12E15 32.52 6.74 -8.76 -1.69 0
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82406 49855993 1 ON2H12C17 AB2C12D17 68.39 2.82 -8.49 -1.83 0
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82407 49855994 1 N2O2H10C13 A2B2C10D13 2.56 6.05 -9.24 -0.93 0
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82408 49855995 2 NO2C9H9 AB2C9D9 -105.94 6.64 -9.48 -1.13 0
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82409 49855997 2 NO2C9H9 AB2C9D9 -110.33 5.23 -9.4 -1.3 0
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82410 49855999 2 NO2C9H9 AB2C9D9 -107.88 6.65 -9.7 -1.15 0
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82411 49856000 1 N2O2H10C13 A2B2C10D13 -2.63 4.44 -9.31 -1.03 0
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82412 49856002 1 N2O7C21H22 A2B7C21D22 -240.01 3.68 -8.98 -0.8 0
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82413 49856003 1 O3N5C29H29 A3B5C29D29 -40.23 3.57 -9.01 -0.64 0
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82414 49856005 4 NOC4H4 ABC4D4 -122.3 10.43 -9.41 -0.72 0
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82415 49856006 1 FON2H7C9 ABC2D7E9 9.09 3.21 -9.39 -1.34 0
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82416 49856007 1 FN2C13H17 AB2C13D17 -19.61 4.45 -8.43 -0.14 0
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82417 49856009 1 FN2C12H15 AB2C12D15 -19.8 2.59 -8.58 -0.29 0
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82418 49856010 1 FN2C13H17 AB2C13D17 -21.07 4.07 -8.26 0.0 0
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82419 49856011 1 NOC15H27 ABC15D27 -81.2 3.31 -8.89 0.79 4
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82421 49856013 1 SN5O9C39H47 AB5C9D39E47 -298.48 8.65 -9.07 -1.06 0
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82422 49856014 1 SN5O9C40H49 AB5C9D40E49 -308.88 8.62 -9.02 -0.8 0
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82423 49856015 1 SF2N5O9C39H45 AB2C5D9E39F45 -402.58 5.0 -8.98 -0.75 0
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82424 49856016 1 SF2N5O9C41H53 AB2C5D9E41F53 -429.19 4.61 -9.29 -0.62 0
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82425 49856017 1 SF2N4O9C42H54 AB2C4D9E42F54 -435.14 10.13 -9.07 -0.37 0
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82426 49856018 1 SF4N5O8C35H47 AB4C5D8E35F47 -510.87 11.67 -9.85 -0.71 0
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82430 49856022 2 NO2C19H33 AB2C19D33 -249.81 2.23 -8.82 1.72 0
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82431 49856023 2 NO3C19H31 AB3C19D31 -337.11 3.69 -9.49 0.75 0
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82432 49856024 1 SN2O5C24H24 AB2C5D24E24 -100.64 5.64 -9.1 -0.73 0
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82433 49856025 1 ClSO2N3H20C21 ABC2D3E20F21 13.81 3.0 -8.75 -0.77 0
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82434 49856026 1 N2O2C19H20 A2B2C19D20 11.59 4.88 -9.14 -0.52 0
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82435 49856027 1 PN5O10C45H50 AB5C10D45E50 -397.44 4.17 -9.1 -0.69 0