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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133111 51477861 1 SF2N2O2C16H18 AB2C2D2E16F18 -122.99 3.31 -8.97 -0.98 0
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133112 51478401 1 FSN4O4C18H21 ABC4D4E18F21 -151.18 5.68 -9.6 -0.78 0
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133113 51478759 1 N3O5C21H21 A3B5C21D21 -88.99 7.85 -8.38 -1.26 0
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133114 51478760 1 Cl2N2O3H20C21 A2B2C3D20E21 -98.91 3.95 -8.57 -0.62 0
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133115 51479097 1 F2S2N3H15C16 A2B2C3D15E16 -36.2 5.3 -8.59 -0.77 0
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133116 51479151 1 SN2O5C17H18 AB2C5D17E18 -105.27 11.62 -9.52 -1.33 0
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133117 51479203 1 NSO3C15H17 ABC3D15E17 -81.58 5.9 -9.36 -1.11 0
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133118 51479293 1 N3O4H27C30 A3B4C27D30 -72.61 2.75 -8.59 -1.47 0
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133119 51479407 1 N3O3C28H29 A3B3C28D29 -57.22 5.13 -8.45 -0.3 0
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133120 51479535 1 N2O7C24H26 A2B7C24D26 -251.01 4.06 -8.92 -0.65 0
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133121 51479550 1 N2O7H14C17 A2B7C14D17 -153.02 9.69 -9.66 -1.43 0
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133122 51480137 1 ClSN4O5H19C21 ABC4D5E19F21 -159.86 5.24 -9.13 -1.31 0
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133123 51480288 1 SN3O7C20H23 AB3C7D20E23 -234.94 4.7 -9.41 -0.75 0
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133124 51480289 1 SN3O7C20H23 AB3C7D20E23 -238.8 5.83 -9.4 -1.13 0
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133125 51480290 1 SN3O7C20H29 AB3C7D20E29 -293.06 6.2 -9.53 -1.2 0
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133126 51480340 1 ClSN2O6C23H23 ABC2D6E23F23 -189.07 5.04 -9.01 -1.19 0
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133127 51480707 2 O2N3C9H9 A2B3C9D9 -74.79 7.79 -9.54 -1.5 0
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133128 51480960 1 SN3O5H17C20 AB3C5D17E20 -52.61 10.29 -9.23 -1.32 0
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133129 51480995 1 NO4C27H27 AB4C27D27 -123.6 7.31 -8.46 -1.04 0
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133130 51481249 1 O2N5C22H25 A2B5C22D25 -20.32 7.17 -9.18 -0.71 0
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133131 51481250 1 OSN5C18H25 ABC5D18E25 20.04 4.19 -9.15 -0.51 2
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133132 51481584 1 SO2N5C21H29 AB2C5D21E29 21.83 18.3 -5.69 -0.78 2
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133133 51481585 1 SN5C20H29 AB5C20D29 98.56 15.97 -5.65 -0.56 0
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133134 51482198 1 S2N3O3C22H31 A2B3C3D22E31 -130.03 2.42 -8.44 -0.86 0
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133135 51482277 1 OSN5C19H23 ABC5D19E23 39.67 7.16 -8.84 -1.01 0
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133136 51482568 1 ClFN2O5H14C17 ABC2D5E14F17 -150.59 8.97 -9.45 -1.27 -1
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133137 51483391 1 SO2N4C20H21 AB2C4D20E21 31.82 5.19 0.0 0.0 0
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133138 51483465 1 FSN3O3C22H24 ABC3D3E22F24 -101.8 5.49 -8.32 -0.43 0
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133139 51483719 1 ClNO6H18C21 ABC6D18E21 -182.4 5.35 -8.29 -1.38 0
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133140 51483766 1 F2N2O5H12C16 A2B2C5D12E16 -182.4 11.32 -9.61 -1.67 0
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133141 51484176 1 SN3O5C15H17 AB3C5D15E17 -159.44 3.17 -8.96 -0.72 0
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133142 51484177 2 NO3H12C14 AB3C12D14 -175.74 7.26 -8.57 -1.78 0
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133143 51484178 2 NO3H12C14 AB3C12D14 -176.8 4.84 -8.65 -1.96 0
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133144 51484179 1 N3O6H21C26 A3B6C21D26 -168.48 3.39 -8.75 -2.16 0
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133145 51484384 1 N2O5C27H30 A2B5C27D30 -189.54 3.47 -9.13 -2.02 0
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133146 51484896 1 SO3N5C24H27 AB3C5D24E27 -26.06 4.89 -9.04 -0.78 0
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133147 51484897 1 SO3N5C24H27 AB3C5D24E27 14.17 7.75 -9.02 -0.47 0
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133148 51484898 1 ClSN3O3H20C22 ABC3D3E20F22 -48.39 7.07 -8.36 -1.29 0
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133149 51484899 1 ClSN3O3H20C22 ABC3D3E20F22 -53.16 4.69 -8.35 -1.05 0
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133150 51485092 1 ClSN4O5C21H21 ABC4D5E21F21 -137.76 5.39 -9.27 -1.12 0
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133151 51485093 1 F3O3N4H15C20 A3B3C4D15E20 -189.29 4.37 -9.27 -1.49 0
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133152 51485094 1 SN2O5C22H24 AB2C5D22E24 -131.28 7.02 -9.37 -0.89 0
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133153 51485351 1 NSO5H19C20 ABC5D19E20 -150.18 4.88 -8.72 -1.1 0
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133154 51485352 1 NSO7C19H21 ABC7D19E21 -262.46 4.61 -9.6 -1.01 0
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133155 51485361 1 SN2O8C23H24 AB2C8D23E24 -283.82 5.72 -8.96 -1.32 0
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133156 51485369 1 SN2O4C20H24 AB2C4D20E24 -121.68 5.65 -9.54 -1.31 1
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133157 51485658 1 N3O5C18H20 A3B5C18D20 -56.55 12.15 0.0 0.0 1
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133158 51485706 1 ClN2O4C19H22 AB2C4D19E22 -96.43 7.12 0.0 0.0 -1
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133159 51485783 1 SN2F3O3H14C16 AB2C3D3E14F16 -210.9 3.4 0.0 0.0 0
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133160 51485989 1 N3O6C22H29 A3B6C22D29 -186.75 6.02 -10.56 -1.78 0
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133161 51486056 1 ClSN4O5H19C21 ABC4D5E19F21 -117.66 5.25 -9.1 -1.13 0
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133162 51486057 1 ClSN4O5H19C21 ABC4D5E19F21 -111.95 5.85 -9.28 -1.28 0
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133163 51486113 1 ClSN3O4C22H22 ABC3D4E22F22 -141.38 4.99 -9.0 -0.84 0
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133164 51486183 1 N2O5C24H24 A2B5C24D24 -134.21 3.05 -8.78 -1.38 0
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133165 51486428 1 N2O5C19H20 A2B5C19D20 -105.23 8.5 -9.75 -1.35 0
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133166 51486429 1 N2O5C19H20 A2B5C19D20 -104.1 9.78 -9.64 -1.27 0
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133167 51486430 1 N2O5C19H20 A2B5C19D20 -108.48 9.97 -9.62 -1.26 0
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133168 51486619 1 N3O5H19C20 A3B5C19D20 -132.79 4.82 -9.41 -0.73 0
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133169 51486778 1 N3O4C24H39 A3B4C24D39 -241.39 3.97 -9.59 0.2 0
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133170 51486866 1 ClSN4O4C16H17 ABC4D4E16F17 -68.66 12.68 -9.37 -1.4 -1
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133171 51486960 1 ClSO2N3C17H19 ABC2D3E17F19 -20.54 2.3 0.0 0.0 -1
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133172 51486961 1 ClSO2N3C17H19 ABC2D3E17F19 -21.94 7.17 0.0 0.0 0
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133173 51487002 1 BrSN2O5C17H17 ABC2D5E17F17 -164.12 6.71 -9.6 -0.85 0
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133174 51487244 1 N2O5C24H30 A2B5C24D30 -198.57 5.79 -8.64 -0.22 0
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133175 51487245 1 N2O5C24H30 A2B5C24D30 -196.9 4.81 -8.88 -0.26 0
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133176 51487246 1 NSO3C20H25 ABC3D20E25 -120.49 2.78 -8.82 -1.09 0
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133177 51487247 1 NSO3C20H25 ABC3D20E25 -119.55 1.98 -8.74 -1.01 0
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133178 51487248 1 S2N3O5C19H23 A2B3C5D19E23 -166.15 7.35 -8.91 -1.19 0
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133179 51487249 1 S2N3O5C19H23 A2B3C5D19E23 -170.02 6.85 -9.3 -1.43 0
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133180 51488259 1 OSN3C17H17 ABC3D17E17 41.8 5.02 -9.02 -0.63 0
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133181 51488260 1 O2N3C20H21 A2B3C20D21 -1.39 3.77 -8.8 -0.5 0
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133182 51488507 2 NOC11H14 ABC11D14 -66.26 4.77 -8.57 0.31 0
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133183 51488549 1 NSO4C21H25 ABC4D21E25 -138.76 5.76 -9.45 -0.66 0
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133184 51488556 1 O2N3H19C20 A2B3C19D20 6.23 5.94 -8.83 -0.76 0
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133185 51488799 1 N3O4C25H35 A3B4C25D35 -184.39 9.08 -9.22 -1.18 0
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133186 51488976 1 SN3O4C19H19 AB3C4D19E19 -107.62 2.22 -9.09 -0.4 0
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133187 51489120 1 S2O3N5C17H23 A2B3C5D17E23 -49.7 4.83 -8.8 -1.13 0
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133188 51489121 1 S2O3N5C17H23 A2B3C5D17E23 -51.07 3.57 -8.73 -1.04 0
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133189 51489451 1 BrSN3O3C19H22 ABC3D3E19F22 -77.72 3.78 -8.81 -0.63 0
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133190 51489452 1 SF2O3N6H18C20 AB2C3D6E18F20 -35.01 7.74 -9.19 -1.32 1
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133191 51489453 1 BrON3C17H25 ABC3D17E25 -24.43 2.77 0.0 0.0 0
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133192 51489454 1 BrON3C17H24 ABC3D17E24 -44.57 2.9 -8.3 0.0 0
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133193 51489495 1 SN2O5C26H34 AB2C5D26E34 -205.6 7.91 -8.68 -0.52 -1
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133194 51489606 1 ON2S2H9C12 AB2C2D9E12 65.87 9.33 0.0 0.0 0
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133195 51490804 1 S2O3N4C22H28 A2B3C4D22E28 -74.49 7.11 -8.71 -1.09 0
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133196 51491397 1 N2F3O4H17C23 A2B3C4D17E23 -204.06 4.14 -9.13 -0.93 0
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133197 51491441 1 SO2N4C23H36 AB2C4D23E36 -64.78 5.6 -8.65 -0.38 0
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133198 51491989 1 ClSN2O3C19H25 ABC2D3E19F25 -123.86 5.39 -9.36 -0.45 0
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133199 51492057 1 ClN2O4H19C24 AB2C4D19E24 -47.0 1.84 -8.7 -0.65 -1
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133200 51492058 1 ClN2O4H14C18 AB2C4D14E18 -19.16 13.94 0.0 0.0 0
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133201 51492221 1 FSO2N4C20H31 ABC2D4E20F31 -118.69 1.96 -8.6 -0.21 0
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133202 51492662 1 ON5C21H23 AB5C21D23 45.38 6.31 -9.68 -0.52 1
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133203 51492869 1 N3O3C19H28 A3B3C19D28 65.81 14.05 0.0 0.0 1
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133204 51493294 1 OSN5C22H32 ABC5D22E32 19.92 10.45 0.0 0.0 0
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133205 51493295 1 OSN5C22H31 ABC5D22E31 1.23 5.69 -9.13 -0.49 1
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133206 51493296 1 OSN5C22H32 ABC5D22E32 18.94 6.37 0.0 0.0 1
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133207 51493445 1 OS2N5C20H24 AB2C5D20E24 78.7 9.35 0.0 0.0 1
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133208 51493446 1 OSN5C23H34 ABC5D23E34 19.97 7.68 0.0 0.0 1
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133209 51493771 1 OSN3C20H26 ABC3D20E26 38.05 7.54 0.0 0.0 1
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133210 51493772 1 OSN3C17H22 ABC3D17E22 28.5 4.16 0.0 0.0 0