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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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178010 76262243 1 N3O5C27H35 A3B5C27D35 -173.62 4.26 -8.29 0.02 0
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178011 76262255 1 NF3O4H20C21 AB3C4D20E21 -246.98 3.91 -8.52 -0.33 0
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178012 76262294 1 O3N5C21H27 A3B5C21D27 35.66 5.93 -9.43 -1.88 0
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178013 76262410 1 OF2N2C18H18 AB2C2D18E18 -71.76 3.46 -8.69 -0.67 0
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178014 76262512 1 N2O3C24H24 A2B3C24D24 -64.39 0.91 -8.4 -0.45 0
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178015 76262513 1 FN3O3C23H26 AB3C3D23E26 -157.75 5.43 -9.58 -0.48 0
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178016 76263498 1 BrOSN2C17H19 ABCD2E17F19 10.75 5.89 -9.27 -0.97 0
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178017 76264409 1 SO2N4C19H20 AB2C4D19E20 -1.82 3.39 -8.65 -0.99 0
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178018 76264497 1 SF3O3N4H11C16 AB3C3D4E11F16 -111.2 1.6 -9.36 -2.66 0
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178019 76264498 1 O2S2F3N3H12C18 A2B2C3D3E12F18 -105.57 5.58 -8.94 -2.43 0
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178020 76264716 1 N4O4C23H32 A4B4C23D32 -133.87 4.19 -9.38 -0.94 1
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178021 76264788 1 ClSO3N4H18C21 ABC3D4E18F21 -32.74 2.55 0.0 0.0 0
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178022 76264789 1 ClSO2N3H18C22 ABC2D3E18F22 25.59 7.65 -9.05 -1.81 0
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178023 76264790 1 O3N4C21H30 A3B4C21D30 -139.9 2.6 -8.6 -0.18 0
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178024 76265101 1 O3N4C22H36 A3B4C22D36 -145.0 5.3 -8.47 0.02 0
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178025 76265774 1 BrOS2N3C21H24 ABC2D3E21F24 16.06 1.97 -8.54 -0.5 0
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178026 76265775 1 O4N7C20H31 A4B7C20D31 -129.66 5.58 -9.3 -0.38 0
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178027 76266506 1 SO3N5C23H35 AB3C5D23E35 -115.06 2.96 -8.39 0.16 0
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178028 76266521 1 O4N5C20H21 A4B5C20D21 -125.2 5.84 -8.97 -0.38 0
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178029 76266548 1 N3O4C17H25 A3B4C17D25 -109.0 5.92 -8.23 0.31 0
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178030 76266549 1 NF4O4C20H21 AB4C4D20E21 -329.68 3.7 -9.08 -0.94 0
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178031 76266550 1 FO2N3H20C21 AB2C3D20E21 -44.74 11.94 -8.84 -0.91 0
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178032 76266844 1 ClO2N4C20H29 AB2C4D20E29 -83.51 5.43 -8.86 -0.74 1
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178033 76266845 1 F2O3N4C20H21 A2B3C4D20E21 -158.46 2.94 0.0 0.0 0
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178034 76266846 1 ClS2O3N4C22H25 AB2C3D4E22F25 -88.13 3.64 -9.05 -1.6 0