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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85475 49875602 1 ON4H10C11 AB4C10D11 61.65 7.84 -9.03 -1.52 0
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85476 49875606 1 ON6H14C17 AB6C14D17 137.68 7.03 -8.9 -1.63 0
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85477 49875678 4 NO2C10H12 AB2C10D12 -290.24 6.93 -7.41 -1.3 0
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85478 49875689 1 N3H27C29 A3B27C29 100.9 2.19 -7.97 -0.71 0
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85479 49875722 1 OSN3H19C22 ABC3D19E22 66.88 5.39 -8.42 -1.11 0
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85480 49875723 1 Br2O3N4H26C29 A2B3C4D26E29 16.16 7.8 -8.62 -0.65 0
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85481 49875728 1 ON5H17C19 AB5C17D19 111.5 1.31 -8.43 -0.83 0
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85482 49875734 1 BrN3O5H12C16 AB3C5D12E16 -20.24 9.59 -9.32 -1.88 0
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85483 49875736 1 BrN3O5H12C16 AB3C5D12E16 -25.09 13.43 -9.08 -1.75 0
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85484 49875754 1 Cl2O2N3C20H21 A2B2C3D20E21 -44.33 7.01 -8.44 -1.52 0
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85485 49875777 1 O3C19H24 A3B19C24 -139.59 7.06 -9.33 -0.63 0
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85486 49875811 1 SN4C17H18 AB4C17D18 94.62 3.45 -8.59 -0.83 0
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85487 49875812 1 NO2C14H15 AB2C14D15 1.29 2.53 -10.26 0.06 0
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85488 49875832 1 BrN2O4H19C24 AB2C4D19E24 -40.32 3.44 -9.13 -0.71 0
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85489 49875975 1 ON2F3C21H23 AB2C3D21E23 -176.83 8.21 -8.81 -0.49 0
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85490 49875989 1 BrON2C15H15 ABC2D15E15 -8.86 3.42 -9.12 -0.48 -1
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85491 49876018 1 FNOCl2C8H9 ABCD2E8F9 -44.93 3.41 0.0 0.0 -1
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85492 49876041 1 ClNOC16H23 ABCD16E23 -13.38 1.41 0.0 0.0 -1
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85493 49876054 1 ClNOC11H17 ABCD11E17 -50.31 2.72 0.0 0.0 -1
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85494 49876056 1 ClNOC10H15 ABCD10E15 -10.35 2.72 0.0 0.0 -1
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85495 49876057 1 ClNOC10H15 ABCD10E15 -40.8 2.13 0.0 0.0 -1
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85496 49876058 1 ClNOC4H11 ABCD4E11 -74.04 0.91 0.0 0.0 0
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85497 49876078 1 BrFSO2N4C23H24 ABCD2E4F23G24 -50.54 5.27 -9.19 -0.9 0
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85498 49876079 1 SN2O2C13H14 AB2C2D13E14 -18.55 2.99 -9.19 -0.72 0
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85499 49876093 1 ClN4O4H15C16 AB4C4D15E16 -10.18 7.13 -8.54 -2.1 -1