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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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447109 135280350 1 O4N5C35H43 A4B5C35D43 -134.84 5.77 -8.54 -0.32 0
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447110 135280351 2 NOH10C12 ABC10D12 25.85 4.29 -8.63 -0.65 0
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447112 135280371 1 FO4N5C34H40 AB4C5D34E40 -165.38 5.41 -8.71 -0.36 0
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447113 135280380 1 O4N5C37H47 A4B5C37D47 -132.06 8.53 -8.44 -0.33 0
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447114 135280401 2 ON2H11C12 AB2C11D12 38.58 7.43 -8.82 -0.7 0
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447115 135280408 2 N2O2C12H15 A2B2C12D15 -138.64 8.29 -8.22 -0.63 0
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447117 135280418 1 ClF2O2N3H14C19 AB2C2D3E14F19 -73.67 4.49 -9.33 -1.04 0
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447118 135280422 2 ON3H10C11 AB3C10D11 51.8 3.22 -8.61 -0.86 0
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447119 135280430 1 FCl2O3N4C21H21 AB2C3D4E21F21 -83.58 9.53 -7.68 -1.48 0
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447120 135280431 1 O4N5C39H51 A4B5C39D51 -134.46 8.01 -8.8 -0.33 0
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447121 135280443 1 FON4H19C22 ABC4D19E22 45.2 2.52 -8.57 -0.43 0
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447122 135280454 1 ClN4O4C23H29 AB4C4D23E29 -148.2 4.16 -9.21 -1.45 0
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447123 135280465 1 FN3O3H20C21 AB3C3D20E21 -63.49 4.41 -9.42 -0.91 0
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447124 135280470 1 SN2O4H22C25 AB2C4D22E25 -54.69 6.23 -8.68 -0.72 0
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447125 135280471 1 N3O3H21C25 A3B3C21D25 -8.02 4.3 -8.56 -0.72 0
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447126 135280473 1 ON2C20H20 AB2C20D20 37.33 2.6 -8.5 -0.23 0
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447127 135280513 1 ClO4N5C37H46 AB4C5D37E46 -136.18 8.48 -8.85 -0.47 0
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447128 135280521 1 ON5H23C25 AB5C23D25 90.87 6.29 -8.77 -0.6 0
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447129 135280536 1 O4N6C37H46 A4B6C37D46 -119.24 9.42 -8.78 -0.55 0
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447130 135280539 1 O2N3H23C25 A2B3C23D25 14.67 4.6 -8.62 -0.52 0
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447131 135280545 1 F2O3N5C38H47 A2B3C5D38E47 -203.33 7.44 -8.68 -0.35 0
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447132 135280555 1 ClO4N5C39H50 AB4C5D39E50 -144.5 9.07 -8.8 -0.37 0
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447133 135280563 1 N4O5C32H36 A4B5C32D36 -168.81 5.91 -8.69 -0.75 0
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447134 135280575 1 ClO8N10C79H101 AB8C10D79E101 -286.73 4.85 -8.41 -0.27 0
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447135 135280579 1 S2N5O5C36H43 A2B5C5D36E43 -148.02 7.54 -8.83 -1.32 0
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447136 135280596 1 O4N5C39H51 A4B5C39D51 -135.87 8.65 -8.49 -0.29 0
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447137 135280601 1 SN3C9H17 AB3C9D17 30.13 4.05 -8.78 0.46 0
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447138 135280603 1 ClN4C31H37 AB4C31D37 64.87 4.08 -8.03 -0.41 0
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447139 135280617 2 N4C7H13 A4B7C13 91.91 2.44 -10.17 0.01 0
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447140 135280629 1 ClO2N5C27H32 AB2C5D27E32 3.24 3.15 -8.77 -0.8 0
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447141 135280630 3 NOC7H7 ABC7D7 -16.2 3.24 -8.67 -1.25 0
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447142 135280643 1 NI2O4C10H15 AB2C4D10E15 -57.86 3.03 -9.63 -2.73 0
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447143 135280653 1 ClON6C31H37 ABC6D31E37 46.34 3.81 -8.36 -0.64 0
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447144 135280665 1 ClON6C30H35 ABC6D30E35 55.91 3.11 -8.41 -0.7 0
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447145 135280667 1 N2C4O5H6 A2B4C5D6 -177.62 2.42 -10.52 -0.84 0
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447146 135280685 1 ClON6C31H35 ABC6D31E35 58.01 4.78 -8.46 -0.67 0
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447147 135280688 1 NOC14H15 ABC14D15 19.75 3.54 -8.81 -0.43 0
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447148 135280689 1 NOC16H25 ABC16D25 -43.82 2.39 -8.32 0.65 0
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447149 135280697 1 N2C7H16 A2B7C16 23.0 0.34 -8.13 2.37 0
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447150 135280710 1 ClO3N6C26H27 AB3C6D26E27 -26.91 2.9 -8.79 -0.87 0
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447151 135280712 1 ON3C7H11 AB3C7D11 17.11 3.47 -9.32 -0.23 0
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447152 135280717 1 ClN4H17C26 AB4C17D26 138.21 3.94 -8.76 -1.08 0
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447153 135280745 1 ClN6C28H31 AB6C28D31 111.39 2.93 -7.93 -0.59 0
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447154 135280758 2 N2C13H26 A2B13C26 -53.19 2.15 -8.24 1.32 0
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447155 135280760 1 ON4C15H32 AB4C15D32 -90.75 2.45 -8.6 1.05 0
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447156 135280767 1 O15C29H36 A15B29C36 -594.09 5.81 -8.86 -1.37 0
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447157 135280793 1 NO4C17H27 AB4C17D27 -178.48 7.75 -9.11 0.12 0
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447158 135280803 1 O5C22H44 A5B22C44 -287.16 4.11 -9.02 1.94 0
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447159 135280826 1 NSC12H27 ABC12D27 -58.71 2.97 -8.87 0.53 0
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447160 135280830 4 OC4H7 AB4C7 -189.24 3.58 -9.49 -0.06 0
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447161 135280833 1 N3C17H19 A3B17C19 89.45 3.96 -9.17 -0.14 0
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447162 135280855 1 PN2C18H37 AB2C18D37 -24.21 4.03 -8.8 0.99 0
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447163 135280856 1 NC27H31 AB27C31 65.84 2.49 -8.54 -0.32 0
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447164 135280862 1 O6C23H38 A6B23C38 -261.75 4.63 -9.23 0.12 0
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447165 135280863 2 O3C12H20 A3B12C20 -281.09 3.72 -9.22 0.27 0
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447166 135280883 1 NSO2C4H9 ABC2D4E9 -76.82 2.74 -8.69 -0.01 0
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447167 135280892 1 N4O16C29H56 A4B16C29D56 -762.65 5.58 -9.84 0.59 0
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447168 135280893 1 N4O14C27H56 A4B14C27D56 -657.43 2.51 -9.45 0.53 0
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447169 135280909 1 N2S2C11H26 A2B2C11D26 -27.01 2.9 -8.78 -0.92 0
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447170 135280911 1 O5C16H20 A5B16C20 -173.74 2.84 -9.64 -0.73 0
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447171 135280917 1 SO2C16H28 AB2C16D28 -135.8 5.82 -8.55 0.5 0
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447172 135280938 2 NO3H4C6 AB3C4D6 -16.47 4.31 -9.86 -2.5 0
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447173 135280939 1 NC24H33 AB24C33 35.13 1.69 -8.56 0.16 0
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447174 135280940 1 NSC10H25 ABC10D25 0.58 2.11 -6.6 1.21 0
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447175 135280944 2 NC7H16 AB7C16 -49.36 1.94 -8.52 2.6 0
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447176 135280945 1 N3C14H33 A3B14C33 -41.08 3.15 -8.54 2.51 0
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447177 135280948 1 NC15H29 AB15C29 -21.92 1.38 -8.72 1.36 0
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447178 135280964 2 O10N13C30H47 A10B13C30D47 -606.07 16.61 -7.99 -0.76 0
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447179 135280971 1 NC19H23 AB19C23 36.91 2.48 -8.47 -0.58 0
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447180 135280973 1 OC14H16 AB14C16 -4.04 1.21 -9.22 -0.15 0
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447181 135280978 1 O4C31H52 A4B31C52 -213.39 5.17 -8.79 -0.25 0
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447182 135280987 1 NC17H19 AB17C19 48.18 3.82 -9.0 -0.2 0
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447183 135281020 1 F2N3O7C18H21 A2B3C7D18E21 -286.21 1.47 -9.98 -1.14 0
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447184 135281021 1 BrF2O3C11H17 AB2C3D11E17 -257.8 2.45 -10.18 -1.72 0
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447185 135281022 1 F2N3O5H17C20 A2B3C5D17E20 -177.22 4.5 -9.42 -1.08 0
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447186 135281029 1 F2N3O5C18H21 A2B3C5D18E21 -215.88 6.32 -9.85 -1.16 0
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447187 135281030 1 F2N3O8H13C16 A2B3C8D13E16 -272.81 3.06 -10.11 -1.22 0
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447188 135281040 2 NOC10H16 ABC10D16 -108.26 4.14 -9.22 0.1 0
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447189 135281049 2 ON3C11H14 AB3C11D14 -10.44 5.04 -8.36 -0.68 0
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447190 135281056 1 O2N7C25H33 A2B7C25D33 -8.79 3.93 -8.45 -0.78 0
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447191 135281062 1 F3O3N4H19C20 A3B3C4D19E20 -214.39 5.93 -9.39 -1.16 0
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447192 135281063 1 S8C13H28 A8B13C28 -19.83 1.3 -8.96 -0.26 0
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447193 135281069 1 N2F3O4H9C10 A2B3C4D9E10 -296.93 4.66 -10.4 -1.3 0
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447194 135281072 1 ClN3O3H16C18 AB3C3D16E18 -28.83 3.02 -8.84 -0.86 1
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447195 135281074 1 PN4O6C33H52 AB4C6D33E52 -259.34 7.14 0.0 0.0 1
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447196 135281075 1 PN3O6C27H37 AB3C6D27E37 -235.86 4.46 0.0 0.0 0
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447197 135281105 1 PF3N3O6C25H31 AB3C3D6E25F31 -413.63 5.63 -7.93 -0.89 0
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447198 135281106 1 NO3C10H17 AB3C10D17 -130.33 6.45 -9.43 0.13 0
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447199 135281108 1 ClPN3O6C30H43 ABC3D6E30F43 -252.11 17.43 -8.62 -1.62 0
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447200 135281115 1 N7H17C23 A7B17C23 171.83 3.05 -8.64 -1.32 0
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447201 135281119 1 SO2N8H20C22 AB2C8D20E22 77.04 4.37 -8.82 -1.37 0
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447202 135281138 1 FON7H16C21 ABC7D16E21 72.03 1.24 -9.1 -1.45 0
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447203 135281148 1 BrO3N4C14H15 AB3C4D14E15 -64.61 4.29 -8.85 -1.04 0
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447204 135281154 1 ClON7H24C26 ABC7D24E26 93.7 0.48 -8.76 -1.18 0
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447205 135281167 1 BrO2N4H11C15 AB2C4D11E15 81.81 3.83 -9.07 -1.56 0
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447206 135281172 1 ON7H25C26 AB7C25D26 103.23 3.13 -8.68 -1.08 0
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447207 135281187 2 NO2C10H15 AB2C10D15 -157.35 2.18 -9.35 -1.51 0
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447208 135281188 2 NO2C9H11 AB2C9D11 -100.07 2.92 -8.98 -1.56 0
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447209 135281194 1 BrSO2N4C17H17 ABC2D4E17F17 -6.21 3.76 -8.82 -1.06 0
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447210 135281206 2 SN4O6H22C26 AB4C6D22E26 -320.71 7.74 -8.89 -1.01 0