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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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166042 74629441 1 SO2N3C11H11 AB2C3D11E11 5.24 4.07 -9.11 -1.56 0
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166043 74629442 1 BrN2S2O3C17H21 AB2C2D3E17F21 -87.62 4.54 -9.06 -1.16 0
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166044 74629579 1 SO2N3C19H27 AB2C3D19E27 -84.66 5.53 -9.05 -0.51 0
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166045 74629822 1 SN2O5C23H30 AB2C5D23E30 -167.53 7.15 -9.21 -0.76 0
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166046 74630086 1 SN3O3C25H27 AB3C3D25E27 -55.26 7.45 -8.24 -0.71 1
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166047 74630246 1 F3O3N4C17H22 A3B3C4D17E22 -148.54 5.07 0.0 0.0 0
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166048 74630247 1 SF3O3N4C21H23 AB3C3D4E21F23 -219.5 8.42 -8.99 -0.88 1
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166049 74630369 1 ClOSN4C19H24 ABCD4E19F24 18.37 8.09 0.0 0.0 0
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166050 74630370 1 ClOSN4C19H23 ABCD4E19F23 -9.41 6.79 -8.49 -0.34 1
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166051 74630371 1 ClOSN4C20H26 ABCD4E20F26 24.97 10.7 0.0 0.0 1
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166052 74630496 1 FOSN5C22H23 ABCD5E22F23 84.02 18.15 0.0 0.0 0
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166053 74630930 1 ClSN3O5C17H22 ABC3D5E17F22 -154.92 5.48 -9.07 -0.4 0
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166054 74630931 1 O2N3H19C24 A2B3C19D24 64.1 4.88 -8.8 -1.84 0
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166055 74630932 1 O2N3C23H33 A2B3C23D33 -102.17 1.98 -8.67 0.42 1
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166056 74630933 1 N3O4C26H34 A3B4C26D34 -107.56 4.51 0.0 0.0 -2
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166057 74631196 1 N2O7H14C20 A2B7C14D20 -92.67 5.97 -10.42 -1.6 0
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166058 74631233 1 BrO2N4C15H21 AB2C4D15E21 -36.92 4.15 -8.9 -0.63 -1
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166059 74631234 1 SN3O4H16C22 AB3C4D16E22 35.57 21.08 0.0 0.0 0
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166060 74631709 1 SO4N5C23H29 AB4C5D23E29 -96.27 12.28 -9.0 -1.58 0
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166061 74631748 1 SN2O4C21H26 AB2C4D21E26 -106.89 4.68 -9.62 -1.24 0
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166062 74631749 1 N2O3C17H22 A2B3C17D22 -71.47 9.09 -9.86 -1.37 0
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166063 74631750 1 N2O3C22H32 A2B3C22D32 -122.72 3.19 -9.38 -0.3 0
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166064 74632226 1 N2O2C25H26 A2B2C25D26 -41.76 4.92 -9.09 -0.87 0
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166065 74632231 1 OS3N5C21H21 AB3C5D21E21 97.0 2.2 -8.5 -1.09 0
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166066 74632338 1 NF3O3C22H22 AB3C3D22E22 -258.71 7.35 -9.44 -0.41 0