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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
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160183 57304940 1 ON2C14H16 AB2C14D16 27.06 3.73 -8.94 0.19 0
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160184 57304944 2 N2O3C11H16 A2B3C11D16 -270.8 0.22 -9.46 -1.45 0
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160186 57304946 1 O3N6C17H20 A3B6C17D20 -9.92 3.18 -8.6 -0.35 0
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160187 57304954 1 N2F3O3H13C16 A2B3C3D13E16 -116.22 2.77 -9.58 -1.48 0
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160188 57304955 1 ON2C22H26 AB2C22D26 23.62 2.84 -8.42 0.33 0
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160191 57304961 1 N3O4C24H27 A3B4C24D27 -62.62 8.15 -8.61 -1.4 0
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160192 57304967 1 N2S2O5C24H26 A2B2C5D24E26 -160.94 4.14 -9.29 -0.5 0
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160193 57304968 1 ClSN2O4C26H27 ABC2D4E26F27 -63.99 3.21 -8.44 -1.09 0
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160195 57304980 1 SN2O4C15H18 AB2C4D15E18 -46.02 1.27 -8.32 -1.06 0
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160196 57304981 1 SCl2O5N6H36C37 AB2C5D6E36F37 -56.66 5.16 -8.58 -1.22 0
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160198 57305000 1 ON2C19H30 AB2C19D30 -51.39 3.43 -8.41 0.52 0
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160199 57305002 1 N2O4C31H48 A2B4C31D48 -172.71 2.06 -8.55 -0.26 0
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160200 57305005 1 C87H152 A87B152 -197.18 1.72 -8.36 0.69 0
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160201 57305006 1 O4C13H28 A4B13C28 -239.12 3.07 -10.24 1.86 0
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160202 57305007 1 OSiC7H15 ABC7D15 -40.96 2.75 0.0 0.0 0
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160205 57309166 1 N3O10H11C21 A3B10C11D21 -274.16 8.32 -10.87 -1.83 0
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160207 57309169 1 NO2C12H15 AB2C12D15 -60.8 2.38 -9.14 0.39 0
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160208 57309554 1 F2O2N4C5H6 A2B2C4D5E6 -138.9 3.3 -10.7 -1.26 0
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160210 57309556 1 N2O5C28H46 A2B5C28D46 -262.25 4.2 -9.25 -0.12 0
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160211 57309557 1 FO3C15H15 AB3C15D15 -134.74 0.44 -8.4 -0.27 0
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160212 57309558 1 SO2F5N6H15C23 AB2C5D6E15F23 -149.31 3.26 -9.55 -1.73 0
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160213 57309559 1 FO4H7C8 AB4C7D8 -190.6 2.15 -9.7 -0.81 0
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160214 57309560 12 CH2 AB2 -39.73 0.15 -9.44 1.48 0
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160215 57309561 1 NSiO13C63H109 ABC13D63E109 -659.89 6.98 -8.58 -0.52 0
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160216 57309562 1 SN4O5C12H14 AB4C5D12E14 -70.2 2.55 -9.59 -1.4 0
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160217 57309563 1 SN5O5C23H27 AB5C5D23E27 -97.27 6.83 -8.91 -0.64 0
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160218 57309564 2 N3O4C14H16 A3B4C14D16 -238.92 12.39 -9.52 -1.42 0
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160219 57309565 1 N2O5C37H48 A2B5C37D48 -126.87 3.72 -8.37 0.01 0
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160221 57309567 1 N3O8C24H29 A3B8C24D29 -323.21 6.11 -9.23 -0.56 0
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160222 57309568 1 O3C18H28 A3B18C28 -162.3 3.81 -9.91 -0.29 0
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160224 57309570 1 ON3H7C8 AB3C7D8 59.12 2.92 -10.23 -0.65 0
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160225 57309571 1 SN2O2H16C21 AB2C2D16E21 3.84 2.58 -8.82 -1.45 1
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160226 57309572 1 SN2O5C23H35 AB2C5D23E35 -201.03 6.79 0.0 0.0 1
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160227 57309573 1 NO3C19H30 AB3C19D30 -149.36 9.36 0.0 0.0 0
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160228 57309574 1 O2N3S3C15H21 A2B3C3D15E21 -7.01 2.47 -8.35 -0.73 0
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160231 57309577 1 F2H8C9 A2B8C9 -62.5 0.6 -9.77 -0.24 0
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160232 57309578 1 N3O4C37H45 A3B4C37D45 -107.68 4.26 -8.43 0.01 0
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160233 57309579 1 ON3C16H23 AB3C16D23 -13.51 3.35 -7.74 -0.3 0
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160234 57309580 1 NO3C15H15 AB3C15D15 -77.74 7.39 -8.76 -0.2 0
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160235 57309581 1 NO2C14H29 AB2C14D29 -144.77 0.73 -9.2 2.24 0
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160236 57309582 1 S2N5O5C25H29 A2B5C5D25E29 -127.65 8.33 -8.76 -0.84 0
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160237 57309583 1 ON4C29H34 AB4C29D34 24.25 3.54 -8.66 -0.4 0
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160238 57309584 1 BrFN3O4C9H11 ABC3D4E9F11 -185.83 4.88 -9.78 -0.96 0
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160239 57309585 1 ClN2O4C28H41 AB2C4D28E41 -142.59 3.06 -8.37 -0.59 0
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160241 57309587 2 NO2C6H8 AB2C6D8 -166.15 3.38 -9.83 -0.35 0
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160242 57309588 1 OC26H40 AB26C40 -77.45 1.76 -8.49 0.4 0
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160243 57309589 1 NO2C15H29 AB2C15D29 -142.78 6.33 -10.23 1.0 0
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160244 57309590 1 NO3C21H39 AB3C21D39 -204.63 3.63 -9.72 0.93 0
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160247 57309593 1 ON6C30H34 AB6C30D34 59.15 4.28 -8.56 -0.25 0
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160249 57309595 1 O8C27H36 A8B27C36 -335.37 9.86 -9.62 -0.56 0