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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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310129 126574980 1 ClN3O4C17H18 AB3C4D17E18 -135.33 6.5 -8.57 -0.36 0
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310130 126574990 1 O2N9C21H21 A2B9C21D21 167.49 4.25 -8.99 -1.52 1
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310131 126575001 1 S2N4O6C15H23 A2B4C6D15E23 -169.39 2.43 0.0 0.0 0
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310132 126575011 1 SO2N3C26H27 AB2C3D26E27 -35.67 2.62 -8.77 -1.0 0
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310133 126575044 2 O2C9H13 A2B9C13 -178.37 2.6 -9.41 0.29 0
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310134 126575053 1 INC29H38 ABC29D38 67.22 1.99 -8.81 -0.75 0
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310138 126575080 1 O2N3H15C18 A2B3C15D18 34.81 4.17 -9.64 -1.41 0
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310139 126575110 1 N3O3C19H25 A3B3C19D25 -86.53 1.21 -8.46 -1.16 0
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310140 126575113 1 NO2C22H33 AB2C22D33 -103.83 5.12 -8.3 -0.21 0
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310141 126575146 1 O2N3C12H25 A2B3C12D25 -120.37 1.45 -9.32 0.42 0
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310142 126575216 1 NO3F4H13C19 AB3C4D13E19 -237.29 12.39 -10.13 -1.63 0
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310143 126575295 1 FNS2O9H16C20 ABC2D9E16F20 -251.26 4.87 -8.93 -1.92 0
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310144 126575303 2 OC5H7 AB5C7 -91.87 5.16 -10.42 0.83 0
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310145 126575383 2 O2C13H15 A2B13C15 -131.56 4.46 -8.49 -0.07 0
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310146 126575419 1 N7O10C61H63 A7B10C61D63 -233.64 5.99 -8.24 -0.82 0
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310147 126575549 2 OH6C7 AB6C7 -47.42 3.24 -8.89 -0.81 0
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310148 126575569 1 IO2H13C17 AB2C13D17 2.02 2.68 -8.9 -1.43 0
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310149 126575574 1 O2H24C25 A2B24C25 42.12 2.24 -8.74 -0.58 0
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310150 126575576 2 OC12H13 AB12C13 0.02 2.75 -7.92 -0.32 0
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310151 126575650 1 ClSF3N3O3C24H29 ABC3D3E3F24G29 -274.13 4.57 -8.71 -1.01 0
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310152 126575660 1 NC9H15 AB9C15 71.39 1.33 -9.04 1.79 0
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310153 126575694 1 N3O4C14H15 A3B4C14D15 -12.69 3.94 -9.32 -0.84 0
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310154 126575711 1 N10O13C59H106 A10B13C59D106 -698.67 5.11 -9.29 0.31 0
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310155 126575741 1 N12O16C71H128 A12B16C71D128 -835.79 9.63 -9.03 0.17 0
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310156 126575765 1 N13O13C70H127 A13B13C70D127 -389.51 19.17 -7.05 -2.31 0
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310157 126575847 1 N12O14C69H124 A12B14C69D124 -511.8 15.72 -6.14 -0.23 0
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310158 126575849 1 N11O16C69H125 A11B16C69D125 -849.39 11.56 -9.21 -0.09 0
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310159 126575854 1 O12N13C69H125 A12B13C69D125 -540.54 32.35 -6.75 -2.07 0
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310160 126575891 2 N6O6C34H61 A6B6C34D61 -552.7 7.1 -8.39 -0.27 0
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310161 126575934 2 N6O7C34H61 A6B7C34D61 -627.76 16.49 -7.45 -0.83 0
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310162 126575936 1 N12O14C67H122 A12B14C67D122 -566.28 21.15 -6.38 -1.48 0
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310163 126575942 1 N11O13C65H117 A11B13C65D117 -579.43 4.8 -9.13 -1.01 0
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310164 126575962 1 ClN2O3H11C13 AB2C3D11E13 0.4 4.7 -9.3 -1.24 0
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310165 126575980 1 NO2C11H23 AB2C11D23 -109.17 1.78 -8.78 1.88 0
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310166 126575988 1 N2O2C13H24 A2B2C13D24 -105.67 3.51 -8.52 0.88 0
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310167 126575998 1 FIOSN4H8C9 ABCDE4F8G9 29.65 1.61 -9.22 -1.59 0
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310168 126576010 1 SF2O3N6H10C12 AB2C3D6E10F12 -23.92 4.01 -9.62 -1.45 0
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310169 126576024 1 PN2O3C14H31 AB2C3D14E31 -236.87 4.65 -8.34 1.1 0
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310170 126576032 2 NOC8H16 ABC8D16 -144.33 2.15 -8.48 0.92 0
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310171 126576069 1 NOC14H19 ABC14D19 -50.42 5.33 -9.43 -0.2 0
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310172 126576072 1 OC10H20 AB10C20 -80.8 2.57 -9.48 2.38 0
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310173 126576096 1 NO2C17H31 AB2C17D31 -148.87 2.82 -9.49 1.12 0
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310174 126576128 1 ClN2F3O3H16C18 AB2C3D3E16F18 -231.99 3.76 -9.02 -0.6 0
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310175 126576162 1 ClSF3N3H7C13 ABC3D3E7F13 -50.71 3.51 -9.2 -1.61 0
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310176 126576179 1 IOSN4H7C8 ABCD4E7F8 93.16 5.1 -8.98 -1.69 0
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310177 126576186 1 O5C13H22 A5B13C22 -252.17 3.82 -9.94 0.4 0
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310178 126576200 1 ClN3O3H12C19 AB3C3D12E19 -41.07 4.48 -9.21 -1.24 0
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310179 126576237 1 ClO3N4H21C24 AB3C4D21E24 -56.31 2.06 -9.13 -1.1 0
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310180 126576280 1 ClN6C26H37 AB6C26D37 41.89 4.26 -8.55 -0.35 0
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310181 126576286 1 NC9H15 AB9C15 27.61 2.82 -8.62 0.96 0