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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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160121 57304811 1 NOC7H9 ABC7D9 -3.98 1.76 -8.73 0.89 0
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160124 57304814 3 OH6C8 AB6C8 -47.75 4.09 -8.98 -0.6 0
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160126 57304818 2 NSO5C16H17 ABC5D16E17 -312.03 5.34 -9.39 -0.8 0
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160127 57304819 1 NPO2S2C14H30 ABC2D2E14F30 -205.85 5.06 -8.99 -0.29 0
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160129 57304822 1 ClN2O2H14C15 AB2C2D14E15 -2.04 4.09 0.0 0.0 2
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160130 57304829 1 O2N3C12H29 A2B3C12D29 -99.48 1.91 -8.52 1.06 0
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160131 57304831 1 SN4O4C32H38 AB4C4D32E38 -78.4 4.62 -9.1 -0.87 0
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160132 57304833 1 FNO3C12H14 ABC3D12E14 -141.47 5.71 -9.22 -0.89 0
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160133 57304835 3 NH5C6 AB5C6 124.74 1.18 -9.24 -0.24 0
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160136 57304841 2 ClOC3H4 ABC3D4 -100.46 4.83 -11.08 -0.59 0
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160138 57304844 1 O2N5C17H29 A2B5C17D29 -68.54 4.37 -9.04 0.18 0
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160139 57304846 1 N2O3C25H32 A2B3C25D32 -70.68 4.11 -8.88 -0.12 0
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160140 57304848 1 N3O4C26H27 A3B4C26D27 -98.37 1.5 -8.66 -0.48 0
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160141 57304849 4 OC7H11 AB7C11 -203.05 4.71 -9.95 0.5 1
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160142 57304850 1 N3O5C30H42 A3B5C30D42 -198.71 5.02 0.0 0.0 0
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160143 57304853 2 SiO2C14H23 AB2C14D23 -220.85 4.82 -9.52 -0.07 0
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160144 57304854 1 Cl2N3O3H21C27 A2B3C3D21E27 -31.22 3.01 -9.13 -1.31 0
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160146 57304859 1 N3O6C35H51 A3B6C35D51 -285.58 1.84 -9.67 -0.7 0
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160147 57304860 2 FNOC10H12 ABCD10E12 -132.74 6.16 -9.15 0.0 0
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160148 57304862 1 SN5O5C33H45 AB5C5D33E45 -190.02 5.87 -9.02 -0.77 0
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160149 57304865 1 N4O9C19H20 A4B9C19D20 -256.34 8.37 -9.54 -1.21 0
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160150 57304866 1 PN2O6C26H43 AB2C6D26E43 -341.13 5.8 -9.53 -0.01 0
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160151 57304867 1 F6N6H24C25 A6B6C24D25 -171.38 6.15 -9.0 -1.03 0
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160152 57304868 1 OS2C4H4 AB2C4D4 -3.58 3.45 -8.8 -0.73 0
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160153 57304869 1 N2F3O4H21C25 A2B3C4D21E25 -238.64 4.07 -9.34 -1.36 0
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160155 57304871 1 O3C20H28 A3B20C28 -120.64 7.32 -9.52 -0.12 0
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160156 57304873 1 OC32H66 AB32C66 -200.6 1.4 -9.45 2.43 0
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160158 57304875 1 SO2C21H34 AB2C21D34 -125.8 4.58 -8.96 -0.26 0
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160159 57304876 1 NO4C14H27 AB4C14D27 -198.13 6.13 -9.97 0.86 0
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160160 57304877 1 N3O3C6H11 A3B3C6D11 -112.94 4.23 -9.84 0.13 0
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160161 57304878 1 N3C19H33 A3B19C33 -4.14 3.35 -8.44 0.43 0
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160162 57304882 1 B2N2C31H34 A2B2C31D34 90.0 1.76 -8.7 0.04 0
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160163 57304883 1 NO2C20H31 AB2C20D31 -114.42 3.44 -10.16 1.2 0
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160164 57304884 1 PO3N4C7H9 AB3C4D7E9 -126.8 9.74 -9.46 -0.66 0
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160165 57304885 1 N3S3O4C12H13 A3B3C4D12E13 -96.33 5.1 -9.41 -1.92 1
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160166 57304888 1 PO5C16H22 AB5C16D22 -226.39 2.93 0.0 0.0 0
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160167 57304891 1 F2Cl3O6H15C16 A2B3C6D15E16 -360.0 4.16 -10.01 -0.8 0
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160168 57304894 1 Cl2O3C18H18 A2B3C18D18 -122.21 6.17 -9.58 -1.45 0
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160169 57304897 1 BrNSO2C7H14 ABCD2E7F14 -107.6 3.03 -10.53 -0.11 0
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160170 57304899 1 BrO5N12C33H35 AB5C12D33E35 -57.61 6.45 -8.27 -0.94 1
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160171 57304901 1 O2H29C38 A2B29C38 92.09 0.16 0.0 0.0 0
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160172 57304905 1 NSC13H19 ABC13D19 5.88 1.69 -8.71 0.02 0
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160173 57304908 1 SiO2C22H38 AB2C22D38 -179.88 5.05 -9.58 0.87 0
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160174 57304915 1 ON2C15H20 AB2C15D20 -12.14 4.21 -7.64 -0.24 0
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160175 57304916 1 O2N4C9H20 A2B4C9D20 -89.82 3.18 -9.44 0.78 0
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160177 57304921 1 NPO4C11H14 ABC4D11E14 -191.63 2.44 -9.68 -0.04 0
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160178 57304923 2 OC4H7 AB4C7 -91.89 2.47 -9.57 0.7 0
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160179 57304925 1 ClC10H11 AB10C11 69.26 2.09 -9.31 -0.05 0
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160180 57304927 1 PN2S2O5C24H31 AB2C2D5E24F31 -224.46 4.1 -8.23 -0.85 0
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160181 57304936 1 ClNSH6C8 ABCD6E8 44.43 4.0 -8.98 -0.69 0