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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228320 87563924 1 OCl3F3N6C23H28 AB3C3D6E23F28 -208.56 5.8 -9.38 -1.01 0
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228321 87563925 1 OCl3F3N6C23H28 AB3C3D6E23F28 -198.46 4.88 -9.25 -1.04 0
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228322 87563940 1 ClN2S2O3H7C11 AB2C2D3E7F11 25.43 8.39 -9.06 -1.52 1
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228323 87563944 1 N3O3C7H12 A3B3C7D12 -79.83 6.66 0.0 0.0 0
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228324 87563947 1 Cl2H10C15 A2B10C15 70.11 1.67 -9.47 -0.35 0
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228325 87563948 1 ClO3H13C18 AB3C13D18 -55.07 3.17 -8.79 -0.78 0
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228326 87563954 1 N2C4O5H8 A2B4C5D8 -177.25 5.15 -11.07 -0.32 0
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228327 87563955 1 AsFH2N2C3 ABC2D2E3 128.06 2.59 -8.3 -1.03 0
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228328 87563958 1 Br2O3N4C23H32 A2B3C4D23E32 -97.82 9.43 -8.21 -0.55 0
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228329 87563963 1 SO2C6H16 AB2C6D16 -109.7 1.01 -9.54 0.37 0
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228331 87563973 1 OSiC9H11 ABC9D11 8.12 3.81 0.0 0.0 0
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228332 87563975 1 O3C30H50 A3B30C50 -207.84 3.64 -9.67 0.58 0
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228333 87563978 1 OSN4H12C19 ABC4D12E19 102.43 3.37 -8.77 -1.31 0
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228334 87563990 1 BrSSiO4C17H27 ABCD4E17F27 -153.95 5.3 -7.95 -0.37 0
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228335 87563992 1 NOC2H3F4 ABC2D3E4 -258.92 2.25 -11.33 0.29 0
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228336 87563997 1 ClNSF3O6H13C14 ABCD3E6F13G14 -367.71 8.65 -10.12 -1.33 0
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228337 87564003 1 BrN2O2H19C20 AB2C2D19E20 -40.66 1.95 -9.1 -0.88 0
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228338 87564004 1 N2O3C10H20 A2B3C10D20 -169.3 3.54 -10.29 0.63 1
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228339 87564005 1 Cl2O2F3N3C25H29 A2B2C3D3E25F29 -181.9 4.47 0.0 0.0 0
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228340 87564008 1 ClNS2O3H8C12 ABC2D3E8F12 2.82 7.79 -8.71 -1.09 0
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228341 87564014 1 NO3H15C22 AB3C15D22 24.65 4.85 -9.11 -1.23 0
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228342 87564015 1 ClMgNC3H10 ABCD3E10 -62.42 2.33 -9.11 -0.2 1
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228343 87564025 1 NH8C10 AB8C10 96.74 1.36 0.0 0.0 1
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228344 87564028 1 Cl2O2F3N3C26H31 A2B2C3D3E26F31 -180.22 9.2 0.0 0.0 0
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228345 87564030 1 ClION2H12C13 ABCD2E12F13 1.86 3.03 -9.46 -1.6 0