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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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448859 135294130 1 OF2N2C18H18 AB2C2D18E18 -80.18 2.81 -8.57 -0.56 0
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448860 135294133 1 FNO3C20H22 ABC3D20E22 -137.99 6.86 -9.17 -1.1 0
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448861 135294140 1 PSN2O5C23H29 ABC2D5E23F29 -206.41 2.25 -8.47 -1.19 0
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448862 135294141 1 PN3O8C30H36 AB3C8D30E36 -285.19 4.18 -7.86 -1.28 0
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448863 135294142 1 ClON3C21H24 ABC3D21E24 15.0 4.94 -8.93 -1.02 0
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448864 135294148 1 PSN2O5C21H23 ABC2D5E21F23 -175.84 7.27 -8.26 -1.54 0
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448865 135294149 1 FO2N3C19H24 AB2C3D19E24 -100.26 2.55 -8.54 -1.06 0
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448866 135294157 1 NPO6C24H28 ABC6D24E28 -221.74 4.13 -7.87 -1.2 0
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448867 135294166 1 NO3C14H25 AB3C14D25 -158.43 5.17 -9.4 0.0 0
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448868 135294170 1 NPO2H24C28 ABC2D24E28 26.02 0.87 -7.73 -1.1 0
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448869 135294171 1 PN2O2C12H13 AB2C2D12E13 -0.18 4.15 -9.24 -1.1 0
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448870 135294172 1 N3C31H45 A3B31C45 31.61 1.26 -8.22 0.4 0
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448871 135294178 1 N3C29H35 A3B29C35 94.98 6.73 -8.2 -0.62 1
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448872 135294186 1 PN2O4C21H32 AB2C4D21E32 -166.71 7.55 0.0 0.0 0
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448873 135294191 1 NC11H19 AB11C19 -13.79 1.85 -8.26 1.31 0
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448874 135294194 1 NPO3C13H28 ABC3D13E28 -196.45 1.45 -8.2 0.93 0
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448875 135294197 1 PN3O6C32H48 AB3C6D32E48 -311.39 6.68 -8.03 0.13 1
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448876 135294199 1 PO2C13H20 AB2C13D20 -62.0 6.89 0.0 0.0 0
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448877 135294202 1 PSC7H7 ABC7D7 68.24 3.98 -8.77 -1.99 0
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448878 135294219 2 NO7C14H25 AB7C14D25 -674.5 11.47 -9.89 -0.41 0
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448879 135294221 1 ON2H22C23 AB2C22D23 26.76 3.63 -8.42 -0.15 0
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448880 135294224 1 SF2N2C24H38 AB2C2D24E38 -136.48 4.83 -8.8 0.02 0
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448881 135294227 1 N5C27H49 A5B27C49 49.33 2.48 -8.71 0.35 0
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448882 135294250 1 NC18H21 AB18C21 41.27 2.35 -8.47 -0.12 0
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448883 135294256 1 FON6C29H45 ABC6D29E45 -56.22 11.23 -8.95 -0.84 0
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448884 135294258 1 FSO2N5C26H36 ABC2D5E26F36 -101.81 11.94 -8.4 -0.77 0
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448885 135294276 1 NF3O3C16H16 AB3C3D16E16 -255.97 3.43 -8.78 -1.15 0
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448886 135294292 1 FNC24H24 ABC24D24 4.98 1.89 -8.71 0.0 0
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448887 135294296 1 SO2N4C31H44 AB2C4D31E44 -24.96 6.98 -8.97 -0.34 0
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448888 135294311 1 IC5H5N6 AB5C5D6 84.8 0.99 -8.65 -2.8 0
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448889 135294321 1 OSN4C19H24 ABC4D19E24 22.85 2.96 -8.97 -1.17 0
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448890 135294338 1 SN2O2C19H30 AB2C2D19E30 -87.65 3.79 -8.48 -0.19 0
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448891 135294340 1 OSN2C23H30 ABC2D23E30 -18.65 3.34 -8.52 -0.2 0
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448892 135294351 1 N3O3C22H33 A3B3C22D33 -109.9 2.67 -9.86 -0.61 0
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448893 135294361 1 ClOSN5C28H44 ABCD5E28F44 -56.15 9.23 -8.86 0.0 0
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448894 135294367 1 OSN5C34H61 ABC5D34E61 -70.47 4.19 -8.11 -0.03 0
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448895 135294370 1 OSN6C23H34 ABC6D23E34 20.55 10.83 -9.29 -0.54 0
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448896 135294371 1 SO2N6C28H46 AB2C6D28E46 -73.76 6.28 -8.01 -0.35 0
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448897 135294372 1 SO2N9C24H41 AB2C9D24E41 8.75 10.97 -8.51 -0.62 0
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448898 135294375 1 SN2O3C24H36 AB2C3D24E36 -145.29 2.26 -8.53 -0.31 0
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448899 135294384 1 SN2O2C24H36 AB2C2D24E36 -100.06 4.49 -8.72 -0.58 0
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448900 135294386 1 OSN2C22H34 ABC2D22E34 -61.72 3.39 -8.5 -0.09 0
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448901 135294394 1 SO3N6C25H38 AB3C6D25E38 -91.99 8.61 -8.15 -0.85 0
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448902 135294402 1 ClSN5C19H24 ABC5D19E24 38.12 6.53 -8.62 -0.53 0
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448903 135294410 1 ClSO2N5C28H40 ABC2D5E28F40 -55.82 9.08 -8.57 -0.74 0
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448904 135294416 1 OSN6C19H26 ABC6D19E26 0.93 3.05 -8.43 -0.44 0
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448905 135294418 1 SO2N6C29H46 AB2C6D29E46 -72.64 6.23 -8.94 -0.76 0
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448906 135294420 1 SN3C18H27 AB3C18D27 35.89 3.8 -8.9 -0.2 0
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448907 135294425 1 OSN5C28H43 ABC5D28E43 -25.74 9.79 -8.59 -0.4 0
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448908 135294441 1 SO3N6C27H44 AB3C6D27E44 -33.07 6.77 -8.76 -1.64 0