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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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310078 126573923 1 FN2O6C40H51 AB2C6D40E51 -274.84 6.52 -8.85 -0.52 0
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310079 126573933 1 N2O3C8H12 A2B3C8D12 -110.15 1.27 -10.13 0.32 0
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310080 126573977 1 N2O3C16H28 A2B3C16D28 -139.75 3.26 -8.82 0.92 0
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310081 126574003 1 FN2O5C38H49 AB2C5D38E49 -201.72 7.55 -8.04 -0.36 0
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310082 126574011 1 ON3C16H23 AB3C16D23 -19.41 4.21 -8.91 0.43 0
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310083 126574014 1 FN2O5C38H49 AB2C5D38E49 -231.86 2.99 -8.35 -0.28 0
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310084 126574046 1 BrN2O3C23H35 AB2C3D23E35 -140.59 4.02 -8.38 -0.24 0
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310085 126574079 1 ON3C16H23 AB3C16D23 -28.8 3.81 -8.92 0.38 0
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310086 126574131 1 BrN3O5C25H36 AB3C5D25E36 -236.01 4.06 -9.12 -0.75 0
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310087 126574139 1 BrN2O3C25H39 AB2C3D25E39 -164.57 2.06 -8.27 -0.07 0
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310088 126574143 1 FN2O4C36H45 AB2C4D36E45 -195.39 6.15 -8.52 -0.28 0
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310089 126574144 1 BrFN2O4C38H48 ABC2D4E38F48 -194.32 1.88 -8.32 -0.23 0
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310090 126574147 1 BrN2O3C24H37 AB2C3D24E37 -168.09 4.88 -8.93 -0.19 0
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310091 126574176 1 FN3O6C39H50 AB3C6D39E50 -286.02 6.81 -8.46 -0.3 0
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310092 126574182 1 FN2O5C35H43 AB2C5D35E43 -235.08 5.93 -8.5 -0.16 0
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310093 126574225 1 N3O4C36H45 A3B4C36D45 -149.27 5.78 -8.42 -0.28 0
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310094 126574250 1 BrN2O3C23H35 AB2C3D23E35 -137.7 1.7 -8.53 -0.2 0
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310095 126574277 1 BrN2O3C25H39 AB2C3D25E39 -175.27 4.3 -8.66 -0.23 0
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310096 126574303 1 BrN2O3C20H27 AB2C3D20E27 -130.76 3.05 -9.07 -0.68 0
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310097 126574306 2 OC14H18 AB14C18 -101.26 2.25 -9.37 -0.54 0
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310098 126574314 1 BrN2O4C24H37 AB2C4D24E37 -192.17 4.55 -8.61 -0.44 0
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310099 126574358 1 BrN2O4H11C12 AB2C4D11E12 -58.17 7.95 -9.36 -1.84 0
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310100 126574359 1 BrN2O4H11C12 AB2C4D11E12 -57.31 8.91 -9.28 -1.37 0
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310101 126574387 1 FN3O4C13H16 AB3C4D13E16 -125.55 9.64 -9.2 -1.57 0
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310102 126574408 1 BrN3O4H14C17 AB3C4D14E17 -29.92 3.07 -9.39 -1.9 0
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310103 126574412 1 FON5C15H20 ABC5D15E20 -22.66 8.2 -9.51 -0.57 0
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310104 126574420 1 SN4O4C37H46 AB4C4D37E46 -126.9 6.01 -8.29 -0.32 0
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310105 126574421 1 SO3N4C37H46 AB3C4D37E46 -92.11 6.92 -8.43 -0.32 0
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310106 126574441 1 O3N7C36H47 A3B7C36D47 -67.23 6.77 -8.6 -0.28 0
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310107 126574445 1 O10C25H46 A10B25C46 -527.69 6.29 -10.49 0.16 0
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310108 126574447 1 NF2O7C18H19 AB2C7D18E19 -370.42 6.93 -10.12 -1.05 0
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310110 126574480 1 Cl2F2O2N3H7C14 A2B2C2D3E7F14 -104.26 5.71 -9.14 -1.56 0
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310111 126574490 1 SF3O3N6H15C16 AB3C3D6E15F16 -167.36 5.52 -10.35 -1.87 0
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310112 126574561 1 SF3O3N4H17C18 AB3C3D4E17F18 -214.39 10.85 -9.4 -1.32 0
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310113 126574583 1 FSN4O4C21H23 ABC4D4E21F23 -146.5 6.0 -9.01 -0.98 0
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310114 126574635 1 FSO3N4C20H21 ABC3D4E20F21 -97.4 3.79 -9.03 -1.04 0
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310115 126574779 1 O2P3C6N9H16 A2B3C6D9E16 -80.95 3.85 -7.91 -1.78 0
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310116 126574785 1 NO3H11C17 AB3C11D17 -33.3 3.49 -9.89 -1.93 0
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310117 126574792 1 SN2O2F4H12C16 AB2C2D4E12F16 -203.68 4.03 -9.66 -1.8 0
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310118 126574793 1 FNSO2H12C15 ABCD2E12F15 -40.59 7.02 -9.45 -1.76 0
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310119 126574794 1 O10C47H70 A10B47C70 -535.35 6.31 -10.1 -0.43 0
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310120 126574881 1 NOC18H25 ABC18D25 -56.95 3.56 -8.93 -0.78 0
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310121 126574906 1 Cl2N2O2H14C19 A2B2C2D14E19 16.86 3.17 -8.61 -0.68 0
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310122 126574911 1 ClSN2F3O5H18C21 ABC2D3E5F18G21 -323.14 4.48 -8.97 -1.42 0
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310123 126574920 1 O3C8H10 A3B8C10 -97.19 5.67 -9.2 -0.51 0
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310124 126574929 1 Cl3N5H28C32 A3B5C28D32 107.68 4.4 -8.74 -0.77 0
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310125 126574935 1 ClON5H22C23 ABC5D22E23 67.64 3.27 -8.92 -0.8 0
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310126 126574972 1 SF3N4O8H39C41 AB3C4D8E39F41 -255.5 16.68 -6.86 -1.01 0
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310127 126574978 1 FSO2H9C14 ABC2D9E14 -57.28 1.08 -8.66 -1.01 0
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310128 126574979 1 NOC12H13 ABC12D13 7.78 0.43 -7.8 -0.26 0
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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