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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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48776 11528319 1 O17N29C83H161 A17B29C83D161 -765.8 13.88 -7.8 -0.05 0
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48778 11528321 1 P2N5O34C94H163 A2B5C34D94E163 -1863.0 18.61 -8.82 -1.08 0
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48781 11528324 1 NaPO44C96H174 ABC44D96E174 -2227.95 107.76 -8.67 -3.85 0
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48782 11528325 1 PO44C96H175 AB44C96D175 -2272.8 8.76 -10.11 -0.08 1
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48783 11528326 1 KS16C30H52O73 AB16C30D52E73 -2930.89 10.98 0.0 0.0 0
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48784 11528327 1 S16C30H52O73 A16B30C52D73 -3000.66 11.38 -10.65 -1.74 0
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48785 11528328 2 O35C68H113 A35B68C113 -2765.95 9.34 -9.03 -0.62 0
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48786 11528329 1 Co A 91.13 0.0 0.0 0.0 0
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48787 11528330 1 OC4H6 AB4C6 -26.93 3.78 -10.23 -0.33 0
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48788 11528331 1 FOC3H7 ABC3D7 -110.37 1.78 -10.68 2.36 0
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48789 11528332 1 LiSC3H7 ABC3D7 -34.44 6.9 -7.92 1.7 0
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48790 11528333 1 OC3H3N3 AB3C3D3 49.68 2.75 -10.98 -1.02 0
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48792 11528336 1 OC7H12 AB7C12 -32.52 2.17 -9.67 0.92 0
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48793 11528337 1 NOC6H11 ABC6D11 -52.63 3.9 -10.43 1.18 0
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48794 11528338 1 BOC6H15 ABC6D15 -109.99 1.7 -9.77 1.42 0
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48795 11528339 2 OC3H6 AB3C6 -105.58 3.59 -10.0 0.32 0
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48796 11528340 2 NOC2H5 ABC2D5 -105.99 3.55 -9.93 1.04 0
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48797 11528341 3 C3H4 A3B4 13.47 0.79 -8.68 0.64 0
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48798 11528342 1 ClO2C4H7 AB2C4D7 -100.29 2.89 -10.38 -0.36 0
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48799 11528343 1 LiN3H4C6 AB3C4D6 82.68 5.31 -8.22 0.38 0
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48800 11528344 1 OLi2C7H12 AB2C7D12 -40.54 6.79 -6.34 0.98 0
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48801 11528345 1 O2C7H12 A2B7C12 -84.96 2.02 -9.29 1.34 0
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48802 11528346 1 OSC6H8 ABC6D8 -24.59 1.7 -9.16 -0.28 0
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48803 11528347 3 OC2H4 AB2C4 -158.85 2.42 -10.21 1.63 0
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48804 11528348 1 NS2C4H7 AB2C4D7 29.25 3.91 -9.06 -0.59 0
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48805 11528349 1 NS2C4H7 AB2C4D7 33.06 4.61 -9.0 -0.18 0
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48806 11528350 1 ON2H6C7 AB2C6D7 -3.49 4.98 -8.68 -0.31 0
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48807 11528351 1 N2O3C4H12 A2B3C4D12 -75.83 2.03 -9.59 1.21 0
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48808 11528352 1 ON3C6H7 AB3C6D7 43.85 1.74 -9.18 -0.77 0
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48809 11528353 1 NOC8H13 ABC8D13 -34.97 4.03 -8.84 0.35 0
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48810 11528354 1 NOC8H13 ABC8D13 9.51 1.41 -9.3 1.08 0
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48811 11528355 1 NC9H17 AB9C17 -5.3 1.41 -8.88 1.11 0
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48812 11528356 1 NC9H17 AB9C17 -10.96 1.89 -8.97 1.22 0
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48813 11528357 1 ClNO2C4H12 ABC2D4E12 -132.41 5.95 -10.06 0.84 0
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48814 11528358 1 NO2C4H11 AB2C4D11 -93.84 1.9 -9.66 1.83 0
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48815 11528359 1 NO2C7H13 AB2C7D13 -107.2 7.86 -10.2 1.22 0
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48816 11528360 1 OC9H20 AB9C20 -90.46 1.88 -10.31 2.7 0
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48817 11528361 1 NOC9H9 ABC9D9 11.18 1.83 -8.64 -0.19 0
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48818 11528362 1 C5O5H6 A5B5C6 -204.6 3.32 -11.22 -1.9 0
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48819 11528363 1 NO4C5H11 AB4C5D11 -124.42 2.99 -10.87 -0.73 0
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48820 11528364 1 NO2H7C8 AB2C7D8 -54.57 3.37 -9.34 -0.69 0
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48821 11528365 1 NO2H7C8 AB2C7D8 -21.7 4.72 -10.06 -0.95 0
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48822 11528366 1 ON3C7H7 AB3C7D7 10.7 5.96 -8.9 -0.32 0
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48823 11528367 5 COH2 ABC2 -234.43 6.6 -10.79 0.49 0
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48824 11528368 1 ON2C8H10 AB2C8D10 -0.51 4.31 -9.98 -0.57 0
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48825 11528370 5 COH2 ABC2 -231.8 2.58 -10.44 -0.2 0
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48826 11528371 1 ON3C7H9 AB3C7D9 32.88 2.47 -9.07 -0.67 0
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48827 11528372 1 NOC9H13 ABC9D13 8.12 3.42 -9.06 -0.39 0
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48828 11528373 1 N3C8H13 A3B8C13 24.31 3.67 -9.06 0.9 0
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48829 11528374 1 O2C9H12 A2B9C12 -80.33 4.64 -9.7 0.31 0
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48830 11528375 1 ON2C8H12 AB2C8D12 -26.63 3.27 -9.75 -0.12 0
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48832 11528378 1 NO2C5H11 AB2C5D11 -98.12 1.81 -9.1 0.68 0
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48833 11528379 1 O2C9H14 A2B9C14 -46.91 2.28 -9.66 0.07 0
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48834 11528380 1 O2C9H14 A2B9C14 -98.83 4.43 -9.75 0.02 0
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48835 11528382 1 OC10H18 AB10C18 -60.15 1.48 -9.61 1.04 0
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48836 11528383 1 NO3C7H9 AB3C7D9 -100.04 2.71 -10.14 -1.3 0
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48837 11528384 1 ON3C7H13 AB3C7D13 -34.78 4.42 -9.59 0.03 0
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48838 11528385 1 NOC9H17 ABC9D17 -52.96 2.74 -9.33 2.44 0
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48839 11528386 1 O3C8H12 A3B8C12 -143.28 3.86 -10.7 0.63 0
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48840 11528387 1 O2C9H16 A2B9C16 -109.11 2.64 -9.46 1.1 0
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48841 11528388 1 NOH7C10 ABC7D10 52.59 3.37 -8.7 -0.81 0
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48842 11528389 1 ON2C8H18 AB2C8D18 -76.55 2.68 -9.25 1.1 0
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48843 11528390 1 ClOC8H11 ABC8D11 -41.03 1.73 -9.43 0.18 0
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48844 11528391 1 BNO3C6H14 ABC3D6E14 -220.28 5.87 -9.53 0.89 0
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48845 11528392 1 NOH9C10 ABC9D10 4.17 7.44 -8.06 -0.93 0
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48846 11528393 1 NC11H13 AB11C13 43.48 3.02 -8.2 0.43 0
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48847 11528394 1 O4C7H12 A4B7C12 -187.14 2.87 -10.56 0.76 0
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48848 11528395 1 OC11H12 AB11C12 28.91 2.31 -8.81 0.26 0
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48849 11528396 1 OC11H12 AB11C12 13.11 0.37 -9.35 0.05 0
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48850 11528397 1 OH3N5C6 AB3C5D6 98.17 3.99 -9.73 -1.71 1
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48851 11528398 1 OH4N5C6 AB4C5D6 93.83 1.76 0.0 0.0 0
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48852 11528399 1 NCl2H5C6 AB2C5D6 13.14 2.55 -10.03 -0.86 0
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48853 11528400 2 OC5H5 AB5C5 -30.54 1.45 -8.8 -0.12 0
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48854 11528401 2 NC5H7 AB5C7 40.14 1.98 -8.18 0.55 0
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48855 11528403 1 OC3Cl3H5 AB3C3D5 -82.74 1.73 -10.84 -0.15 0
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48856 11528404 2 OC5H6 AB5C6 -70.64 2.0 -8.97 0.19 0
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48857 11528405 1 OC11H16 AB11C16 -19.82 3.34 -9.75 0.42 0
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48858 11528406 1 OC11H16 AB11C16 -0.15 4.74 -10.08 -0.15 0
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48859 11528407 1 HCl2C3F3 AB2C3D3 -163.31 2.49 -10.42 -0.99 0
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48860 11528408 1 NO3H7C8 AB3C7D8 -15.56 3.22 -10.32 -1.6 0
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48861 11528409 1 NO2C9H9 AB2C9D9 -76.29 1.76 -8.88 -0.27 0
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48862 11528410 1 O3C9H10 A3B9C10 -111.21 1.79 -9.34 -0.8 0
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48863 11528412 1 OC11H18 AB11C18 -52.23 3.02 -9.96 0.5 0
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48864 11528413 1 NC11H21 AB11C21 -2.11 1.62 -9.46 1.11 0
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48865 11528414 3 OC3H4 AB3C4 -131.68 8.58 -9.64 -0.11 0
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48866 11528415 2 OC5H8 AB5C8 -119.15 5.71 -10.66 0.94 0
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48867 11528416 1 O2N3C7H11 A2B3C7D11 -50.14 2.75 -9.72 -0.48 0
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48868 11528417 1 NO2C9H15 AB2C9D15 -89.03 5.88 -9.74 0.55 0
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48869 11528419 2 O2C4H5 A2B4C5 -148.95 3.46 -10.3 -1.13 0
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48870 11528420 1 O3C9H14 A3B9C14 -119.72 4.39 -9.91 0.47 0
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48871 11528421 2 OC5H9 AB5C9 -74.88 2.81 -10.26 0.54 0
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48872 11528423 1 ClNC6H14 ABC6D14 -38.81 0.79 -9.57 0.74 0
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48873 11528424 4 OC2H3 AB2C3 -195.16 4.56 -10.71 0.57 0
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48874 11528425 1 O3C9H16 A3B9C16 -123.98 2.01 -10.37 0.24 0
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48875 11528426 1 O3C9H16 A3B9C16 -149.05 1.67 -9.93 0.61 0
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48876 11528427 2 OC5H10 AB5C10 -114.7 2.88 -9.66 1.19 0
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48877 11528428 2 OC5H10 AB5C10 -125.33 3.76 -10.03 0.28 0
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48878 11528429 2 OC5H10 AB5C10 -131.99 1.03 -10.0 2.23 0
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48879 11528430 1 OC11H24 AB11C24 -101.5 2.01 -10.24 2.9 0
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48880 11528431 1 NO3C8H15 AB3C8D15 -158.9 6.0 -10.17 0.77 0