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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42054 8148233 1 SN3O3C18H26 AB3C3D18E26 -117.04 12.93 0.0 0.0 0
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42055 8148234 1 SN3O3C18H25 AB3C3D18E25 -127.7 1.97 -8.62 -0.88 1
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42056 8148235 1 SN3O3C18H26 AB3C3D18E26 -116.16 12.24 0.0 0.0 0
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42057 8148236 1 SN3O3C18H25 AB3C3D18E25 -131.28 3.0 -8.54 -0.77 0
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42058 8149028 1 FOSN3C19H20 ABCD3E19F20 -54.06 3.12 -8.66 -0.94 0
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42059 8149037 1 N4O5C12H18 A4B5C12D18 -121.98 7.16 -9.67 -1.82 0
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42060 8149044 1 ClN5O5H8C13 AB5C5D8E13 -16.28 9.3 -9.89 -1.75 0
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42061 8149093 1 OSN3H21C22 ABC3D21E22 23.03 1.83 -8.63 -0.94 0
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42062 8149094 1 SO2N3C17H17 AB2C3D17E17 -17.9 3.62 -8.47 -0.85 0
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42063 8149105 1 SO2N3C20H23 AB2C3D20E23 -45.86 3.65 -8.39 -0.8 0
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42064 8149118 1 N3O4H11C12 A3B4C11D12 -38.46 8.29 -9.69 -1.43 0
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42065 8149120 1 OS2N3C20H23 AB2C3D20E23 -6.92 2.82 -8.54 -0.9 0
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42066 8149121 2 N2O3H8C9 A2B3C8D9 -101.42 12.92 -9.73 -1.36 0
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42067 8149143 1 N3O4C15H17 A3B4C15D17 -53.52 7.92 -9.51 -1.49 0
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42068 8149144 1 ClSN3O3C19H20 ABC3D3E19F20 -107.69 5.09 -9.04 -1.39 0
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42069 8149145 1 ClOS2N3H16C19 ABC2D3E16F19 29.62 3.39 -8.75 -1.14 0
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42070 8149147 1 ClOS2N3H16C19 ABC2D3E16F19 29.6 3.89 -8.71 -1.13 0
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42071 8149148 1 OSN3C23H23 ABC3D23E23 8.21 2.32 -8.62 -0.91 0
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42072 8149149 1 ClN4O5H11C13 AB4C5D11E13 -82.92 5.93 -9.54 -2.04 0
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42073 8149150 1 OSN3C23H23 ABC3D23E23 9.6 2.27 -8.62 -0.92 0
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42074 8149151 1 OSN3C23H23 ABC3D23E23 8.36 2.5 -8.6 -0.86 0
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42075 8149152 1 ClN4O5H13C14 AB4C5D13E14 -88.75 7.22 -9.28 -2.06 0
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42076 8149153 1 OSN3C23H23 ABC3D23E23 8.81 2.66 -8.53 -0.85 0
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42077 8149154 1 SN3O3H21C22 AB3C3D21E22 -71.47 4.53 -8.67 -1.33 0
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42078 8149155 1 SN4O5C15H16 AB4C5D15E16 -82.71 3.37 -8.74 -1.94 0
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42079 8149156 1 SN3O3H21C22 AB3C3D21E22 -71.78 4.15 -8.57 -1.5 0
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42080 8149157 1 OS2N3H17C22 AB2C3D17E22 65.02 3.67 -8.67 -1.07 0
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42081 8149158 1 OS2N3H17C22 AB2C3D17E22 65.55 2.0 -8.54 -1.21 0
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42082 8149159 1 SN4O5C14H14 AB4C5D14E14 -71.37 6.33 -8.52 -1.95 0
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42083 8149160 1 OSN3H21C25 ABC3D21E25 47.85 1.8 -8.59 -0.87 0
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42084 8149161 1 ClSN3O4C18H18 ABC3D4E18F18 -124.3 3.11 -9.14 -1.57 0
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42085 8149162 1 OSCl2N3H13C19 ABC2D3E13F19 33.17 3.02 -8.91 -1.14 0
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42086 8149163 1 BrN3O5H10C12 AB3C5D10E12 -65.24 9.05 -9.3 -1.45 0
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42087 8149166 1 ClOS2N3H14C18 ABC2D3E14F18 39.76 2.51 -8.82 -1.27 0
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42088 8149167 1 ClOS2N3H14C18 ABC2D3E14F18 39.39 3.24 -8.77 -1.14 0
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42089 8149168 1 ClOSN3H18C21 ABCD3E18F21 22.52 2.26 -8.77 -1.08 1
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42090 8149169 1 SN3O4C18H26 AB3C4D18E26 -148.69 19.29 0.0 0.0 1
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42091 8149171 1 SN3O4C18H26 AB3C4D18E26 -150.77 19.69 0.0 0.0 0
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42092 8149172 1 SN3O4C18H25 AB3C4D18E25 -157.7 6.4 -9.03 -1.3 0
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42093 8149174 1 OSN3C19H27 ABC3D19E27 -52.39 3.07 -8.53 -0.76 1
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42094 8149175 1 OSN3C19H28 ABC3D19E28 -33.98 7.75 0.0 0.0 0
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42095 8149180 1 OSN3C19H27 ABC3D19E27 -52.19 2.85 -8.55 -0.78 1
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42096 8149181 1 OSN3C19H28 ABC3D19E28 -34.0 7.63 0.0 0.0 0
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42097 8149184 1 ClON2C14H23 ABC2D14E23 -46.47 3.91 -8.87 -0.12 1
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42098 8149185 1 BrOSN3C19H21 ABCD3E19F21 22.87 10.92 0.0 0.0 0
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42099 8149186 1 BrOSN3C19H20 ABCD3E19F20 10.17 5.83 -8.89 -1.07 1
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42100 8149187 1 BrOSN3C19H21 ABCD3E19F21 22.3 11.0 0.0 0.0 0
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42101 8149188 1 BrOSN3C19H20 ABCD3E19F20 11.45 5.94 -8.85 -1.03 1
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42102 8149189 1 OS2N3C18H22 AB2C3D18E22 19.63 16.03 0.0 0.0 0
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42103 8149190 1 OS2N3C18H21 AB2C3D18E21 7.52 4.44 -8.61 -0.96 1