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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140163 52656697 1 ClO4N5H20C22 AB4C5D20E22 -73.79 6.74 -9.11 -0.84 0
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140164 52656840 1 O3N5C20H39 A3B5C20D39 -168.87 2.95 -8.67 0.8 0
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140165 52656986 2 NO2C10H11 AB2C10D11 -62.88 8.3 -9.14 -1.37 0
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140166 52656987 1 NO2C22H27 AB2C22D27 -66.61 4.5 -8.86 0.11 0
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140167 52657051 1 SN3O4C17H19 AB3C4D17E19 -52.44 10.47 -9.28 -1.12 0
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140168 52657177 1 SO2N3C21H23 AB2C3D21E23 -23.91 5.99 -8.96 -0.66 0
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140169 52657610 1 N2O2C19H30 A2B2C19D30 -99.18 4.34 -9.24 0.2 0
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140170 52657795 1 N2O3C22H26 A2B3C22D26 -90.04 1.9 -8.65 0.32 0
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140171 52658096 1 SN2O3C22H28 AB2C3D22E28 -89.11 3.68 -8.33 -0.27 0
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140172 52658097 1 SN2O3C22H28 AB2C3D22E28 -89.09 1.64 -8.27 -0.32 0
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140173 52658098 1 SN2O3C21H26 AB2C3D21E26 -84.18 3.87 -8.64 -0.33 0
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140174 52658099 1 SN2O3C21H26 AB2C3D21E26 -82.01 4.28 -8.65 -0.32 0
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140175 52658100 1 ON2S2C18H24 AB2C2D18E24 -11.19 3.97 -8.91 -0.34 0
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140176 52658733 1 ClS2N7C20H22 AB2C7D20E22 139.81 4.48 -8.74 -0.89 0
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140177 52658773 1 ClSN2O4C20H25 ABC2D4E20F25 -144.45 5.66 -8.95 -0.66 0
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140178 52658774 1 FS2N3O5C20H26 AB2C3D5E20F26 -210.74 6.17 -9.51 -0.93 0
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140179 52658841 1 SO2N4C24H30 AB2C4D24E30 -54.11 6.76 -8.46 -0.35 0
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140180 52658920 1 SO2N3F6H13C16 AB2C3D6E13F16 -360.31 5.97 -9.93 -1.69 0
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140181 52659089 1 N2S2O5C22H26 A2B2C5D22E26 -183.94 4.3 -9.06 -0.76 0
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140182 52659090 1 ClFN2S2O5C18H18 ABC2D2E5F18G18 -216.26 5.27 -9.12 -1.35 0
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140183 52659285 2 NOC11H14 ABC11D14 -58.28 3.25 -8.57 0.03 0
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140184 52659344 1 ClSN3O4H22C23 ABC3D4E22F23 -107.76 10.21 -8.24 -1.26 1
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140185 52659825 1 BrO2N5C26H29 AB2C5D26E29 52.1 12.56 0.0 0.0 0
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140186 52659892 1 BrOSF2N2H11C18 ABCD2E2F11G18 -50.34 5.91 -9.27 -1.12 0
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140187 52659893 1 F2N3O3H13C17 A2B3C3D13E17 -180.86 2.16 -9.73 -1.6 0