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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
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166067 74632606 1 ClN3O4C21H22 AB3C4D21E22 -29.12 5.17 -8.95 -1.56 0
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166068 74632607 1 ClN3O3C22H30 AB3C3D22E30 -131.94 6.92 -8.99 -0.17 0
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166069 74633591 1 SN4O4H22C23 AB4C4D22E23 -74.41 3.42 -8.31 -0.81 1
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166070 74633776 1 F2O2N4C22H27 A2B2C4D22E27 -128.81 4.96 0.0 0.0 1
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166071 74633940 1 SF2N2O2C19H25 AB2C2D2E19F25 -124.78 4.87 0.0 0.0 0
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166072 74634081 1 F3N3O5C14H14 A3B3C5D14E14 -355.2 3.74 -9.51 -0.89 0
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166073 74634731 1 SN3O4H11C12 AB3C4D11E12 -89.79 7.1 -9.36 -1.78 0
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166074 74634942 1 N3O3C10H13 A3B3C10D13 -92.89 7.97 -9.96 -1.45 0
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166075 74634943 1 N3O4C9H11 A3B4C9D11 -119.75 6.6 -9.97 -1.57 1
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166076 74635090 1 SCl2N3O4C18H24 AB2C3D4E18F24 -163.95 7.24 0.0 0.0 -1
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166077 74635166 1 FNO6H23C30 ABC6D23E30 -119.37 9.09 0.0 0.0 0
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166078 74635167 1 FNO6H24C30 ABC6D24E30 -144.4 9.32 -9.03 -0.91 -1
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166079 74635168 1 FN2O7H16C23 AB2C7D16E23 -108.6 8.64 0.0 0.0 0
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166080 74635169 1 FN2O7H17C23 AB2C7D17E23 -135.99 10.66 -9.69 -1.47 -1
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166081 74635170 1 FN2O7H16C23 AB2C7D16E23 -109.82 4.84 0.0 0.0 0
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166082 74635171 1 FN2O7H17C23 AB2C7D17E23 -137.44 4.5 -9.6 -1.62 -1
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166083 74635172 1 FNO7H19C25 ABC7D19E25 -189.24 6.39 0.0 0.0 0
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166084 74635173 1 FNO7H20C25 ABC7D20E25 -215.82 8.37 -9.5 -0.98 0
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166085 74635386 1 ClNO3H16C18 ABC3D16E18 -77.7 1.13 -9.56 -0.63 1
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166086 74635647 1 N3O5C19H24 A3B5C19D24 -69.31 5.45 0.0 0.0 1
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166087 74635658 1 O4N6C21H23 A4B6C21D23 -59.77 2.99 0.0 0.0 0
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166088 74636513 1 FSN3O5H18C19 ABC3D5E18F19 -93.61 8.74 -9.38 -1.8 0
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166089 74636528 1 SN3O4C18H25 AB3C4D18E25 -131.35 3.89 -8.78 -0.42 0
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166090 74636898 1 ClN2O5H15C17 AB2C5D15E17 -149.92 3.76 -9.49 -1.15 -1
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166091 74636899 1 ClSN2O5H18C19 ABC2D5E18F19 -124.01 2.07 0.0 0.0 0