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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228295 87563841 1 N5O16C57H105 A5B16C57D105 -892.89 8.62 -9.86 -0.23 0
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228296 87563842 1 SN3O4C10H11 AB3C4D10E11 -109.14 6.03 -8.74 -1.71 0
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228297 87563843 1 SN2O3H6C8 AB2C3D6E8 -59.55 3.57 -8.8 -0.65 0
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228298 87563855 1 BrSN3O3H12C15 ABC3D3E12F15 -54.43 4.07 -9.1 -1.4 0
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228299 87563856 1 BrClOSN3H13C14 ABCDE3F13G14 -11.78 10.99 -8.46 -0.99 0
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228300 87563860 1 OSiC4H9 ABC4D9 -33.28 2.64 0.0 0.0 0
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228301 87563863 1 O3C20H34 A3B20C34 -122.43 5.31 -10.06 0.59 0
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228302 87563864 1 O3C20H34 A3B20C34 -136.47 5.26 -10.02 0.69 0
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228303 87563868 1 S2N3O4C12H15 A2B3C4D12E15 -87.7 2.46 -9.06 -0.83 0
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228304 87563870 1 F3N3O3H12C14 A3B3C3D12E14 -141.4 6.99 -8.68 -1.37 0
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228305 87563874 1 SSiO3C11H23 ABC3D11E23 -225.05 2.79 0.0 0.0 0
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228306 87563875 1 O2N3H15C22 A2B3C15D22 104.17 5.25 -8.5 -1.03 0
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228307 87563883 1 Cl2N2O2C11H12 A2B2C2D11E12 -18.59 4.27 -9.08 -1.74 1
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228308 87563885 1 ClSO2N4C19H28 ABC2D4E19F28 -29.65 3.15 0.0 0.0 0
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228309 87563886 2 N2O2C11H12 A2B2C11D12 -53.94 4.71 -8.19 -0.94 0
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228310 87563887 1 OCl2N3C14H15 AB2C3D14E15 -0.13 6.65 -8.74 -0.66 0
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228311 87563896 1 NOPCl4C9H12 ABCD4E9F12 -125.96 3.24 -10.24 -1.35 0
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228312 87563901 1 N5O5C30H33 A5B5C30D33 -74.24 4.18 -9.06 -1.27 1
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228313 87563905 1 ClFSN5O8C35H42 ABCD5E8F35G42 -268.97 12.69 0.0 0.0 0
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228314 87563906 1 O3N4H18C20 A3B4C18D20 25.32 6.95 -8.78 -0.93 0
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228315 87563907 1 O2N3C8H17 A2B3C8D17 -107.03 4.6 -9.25 0.54 0
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228316 87563910 1 O2N3C8H17 A2B3C8D17 -92.75 5.24 -9.63 0.81 0
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228317 87563911 1 O5H14C15 A5B14C15 -145.64 4.01 -8.85 -0.38 0
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228318 87563912 1 BrNO3C6H12 ABC3D6E12 -115.59 1.8 -10.2 -0.82 0
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228319 87563920 1 LiN2O4C23H31 AB2C4D23E31 -141.17 7.22 -8.7 -0.03 0