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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146315 53669150 2 O9C25H34 A9B25C34 -326.29 2.88 -9.19 -0.26 0
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146316 53669151 1 O3C18H26 A3B18C26 -133.21 2.92 -8.63 0.25 0
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146317 53669484 1 FN4O4C34H39 AB4C4D34E39 -145.75 3.55 -9.02 -1.31 0
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146318 53669577 1 NO2C24H37 AB2C24D37 -111.92 8.36 -8.6 0.36 0
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146319 53669578 1 N3C17H23 A3B17C23 19.16 4.0 -8.13 0.25 1
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146320 53669700 1 PO4C14H20 AB4C14D20 -168.56 7.66 0.0 0.0 0
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146321 53669912 1 N3O5C24H33 A3B5C24D33 -113.21 1.82 -8.61 -0.5 0
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146322 53670011 1 SN2C18H24 AB2C18D24 39.35 6.68 -8.4 -0.07 0
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146323 53670487 1 SN2C19H24 AB2C19D24 56.63 1.98 -8.92 -1.09 0
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146324 53670723 1 O2C49H74 A2B49C74 -29.05 6.23 -6.9 -0.66 0
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146325 53670724 1 O2C49H74 A2B49C74 -139.33 4.54 -8.8 -0.59 0
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146326 53670920 1 N2O5C6H16 A2B5C6D16 -222.15 2.65 -9.17 1.56 0
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146327 53670921 1 N2O5C6H16 A2B5C6D16 -224.84 0.78 -9.66 1.25 0
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146328 53671054 1 SN2O5C17H22 AB2C5D17E22 -142.78 10.48 -9.58 -0.5 0
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146329 53671178 1 BrO2S2N4C10H13 AB2C2D4E10F13 51.76 2.92 -8.95 -0.88 0
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146330 53671343 1 SiN2O6C41H74 AB2C6D41E74 -400.93 6.2 -8.93 0.79 0
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146331 53671360 2 N2C8H13 A2B8C13 29.67 2.5 -8.76 0.3 0
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146332 53671598 1 NF3C11H12 AB3C11D12 -133.92 5.5 -8.65 -0.32 0
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146333 53671785 1 N2O2C21H22 A2B2C21D22 -10.64 5.34 -9.41 -1.11 0
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146334 53671786 1 O3C16H22 A3B16C22 -124.13 2.43 -9.79 -0.32 0
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146335 53671787 1 O3C17H28 A3B17C28 -152.03 2.39 -9.7 0.87 0
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146336 53671788 1 NO3C12H19 AB3C12D19 -151.86 4.31 -8.87 0.45 0
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146337 53671789 1 ClON2C24H31 ABC2D24E31 -12.19 4.18 -8.4 -0.08 0
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146338 53671790 1 ON4C16H34 AB4C16D34 -91.54 2.55 -9.75 0.5 0
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146339 53671839 1 NOF5C30H30 ABC5D30E30 -269.68 4.78 -9.55 -0.8 0