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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162231 57394002 1 ON7C22H23 AB7C22D23 78.17 4.29 -8.04 -1.06 0
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162232 57394005 4 O3C8H8 A3B8C8 -457.62 0.9 -8.75 -1.2 0
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162233 57394014 1 ON4C18H20 AB4C18D20 18.2 7.08 -9.02 -0.78 0
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162234 57394017 1 Cl2N3H15C20 A2B3C15D20 97.91 5.51 -9.17 -1.02 0
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162235 57394018 1 N3H19C21 A3B19C21 107.79 4.76 -8.88 -0.66 0
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162236 57394019 2 NO3C7H12 AB3C7D12 -299.91 7.31 -10.28 -0.25 0
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162237 57394022 1 ClO2N5C16H18 AB2C5D16E18 -40.29 6.18 -8.72 -0.43 0
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162238 57394024 1 O2N5C27H31 A2B5C27D31 29.9 2.78 -8.27 -0.72 0
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162239 57394025 1 SN2O9C27H30 AB2C9D27E30 -312.66 5.56 -8.74 -0.37 0
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162240 57394028 1 N4O7C40H40 A4B7C40D40 -99.62 7.23 -8.63 -1.24 0
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162241 57394032 1 SN3O4C15H15 AB3C4D15E15 -100.47 6.65 -8.64 -1.22 0
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162243 57394038 1 N3O6H23C26 A3B6C23D26 -207.46 9.74 -9.11 -1.62 0
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162244 57394039 1 SN3O7C21H21 AB3C7D21E21 -168.69 5.04 -9.57 -1.54 0
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162245 57394045 1 SO2N6C29H36 AB2C6D29E36 -4.94 3.75 -8.51 -0.77 0
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162246 57394046 1 N5O5C24H27 A5B5C24D27 -121.7 5.28 -9.02 -1.05 0
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162249 57394053 1 ClN3O3S3C18H20 AB3C3D3E18F20 -77.31 1.75 -8.92 -1.21 0
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162250 57394055 1 BrN3O3S3C18H20 AB3C3D3E18F20 -83.8 3.36 -8.91 -1.28 0
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162251 57394057 1 FO2N5C30H38 AB2C5D30E38 -67.3 2.37 -8.2 -0.61 0
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162252 57394058 1 ON6C31H38 AB6C31D38 46.62 6.14 -8.8 -1.21 0
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162253 57394066 1 O8H18C19 A8B18C19 -238.91 3.53 -8.82 -1.08 0
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162254 57394071 1 NO6H21C26 AB6C21D26 -130.49 5.62 -8.96 -0.97 0
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162255 57394078 1 NPO3C24H24 ABC3D24E24 -105.33 2.3 -8.37 -1.14 0
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162256 57394079 1 N2O3F6H24C26 A2B3C6D24E26 -360.98 10.16 -8.53 -1.69 0
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162257 57394084 1 O2N3C13H13 A2B3C13D13 -39.81 2.73 -8.85 -0.82 0
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162258 57394085 1 O2N5H15C16 A2B5C15D16 -3.15 4.86 -8.91 -1.05 0
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162259 57394091 1 O17N24C91H122 A17B24C91D122 -445.32 4.68 -8.86 -1.95 0
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162260 57394093 1 NO7H27C32 AB7C27D32 -168.19 4.97 -8.78 -1.22 0
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162264 57394109 1 ClO4H25C28 AB4C25D28 -55.32 4.13 -8.57 -0.8 0
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162265 57394110 2 ClO2H12C14 AB2C12D14 -61.24 3.82 -8.58 -0.95 0
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162266 57394112 1 FO4H27C29 AB4C27D29 -98.65 3.12 -8.63 -0.77 0
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162267 57394115 2 OH6C9 AB6C9 30.64 3.36 -9.22 -1.17 0
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162268 57394120 1 FN2O2H15C20 AB2C2D15E20 -32.77 3.29 -8.98 -1.11 0
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162271 57394139 1 BrNO4H14C18 ABC4D14E18 -81.56 2.47 -8.91 -1.14 0
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162272 57394142 1 O3N5H25C30 A3B5C25D30 55.46 3.09 -8.9 -1.9 0
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162273 57394154 1 ClO3N5C17H20 AB3C5D17E20 -70.57 4.37 -9.32 -0.84 0
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162274 57394155 1 ClO3N5C17H20 AB3C5D17E20 -71.0 3.83 -8.99 -0.8 0
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162275 57394157 1 ClN3O3H20C22 AB3C3D20E22 -15.94 4.99 -8.46 -1.03 0
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162276 57394161 2 ON2H9C10 AB2C9D10 15.33 2.14 -9.04 -0.97 0
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162277 57394163 1 O3N4H16C20 A3B4C16D20 -13.48 4.72 -9.0 -1.1 0
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162278 57394168 1 S2N3O3C12H13 A2B3C3D12E13 -69.0 4.35 -9.66 -1.15 1
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162279 57394170 1 SN2O2C32H41 AB2C2D32E41 -20.95 1.25 0.0 0.0 0
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162280 57394172 1 FON5H28C30 ABC5D28E30 33.77 8.23 -8.69 -0.67 0
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162281 57394174 1 OF2N5H27C30 AB2C5D27E30 -13.55 8.14 -8.77 -0.88 0
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162282 57394175 1 OF3N6H25C29 AB3C6D25E29 -45.23 5.56 -8.82 -1.06 0
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162283 57394177 1 ClSN5O5C30H38 ABC5D5E30F38 -187.32 1.33 -8.8 -1.28 0
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162284 57394178 1 SO2N7C27H33 AB2C7D27E33 35.45 6.94 -8.15 -0.85 0
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162285 57394179 1 ClSO2N7C27H32 ABC2D7E27F32 27.79 4.76 -8.38 -1.12 0
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162287 57394191 1 SN2O4C15H16 AB2C4D15E16 -61.65 7.56 -8.64 -0.82 0
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162288 57394194 1 NO3F7H32C34 AB3C7D32E34 -440.65 7.34 -8.95 -1.4 0
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162289 57394197 1 OSN4C30H30 ABC4D30E30 71.59 6.48 -8.85 -0.81 0