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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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54800 17389300 1 BrSN4O4H11C14 ABC4D4E11F14 13.37 14.83 -8.92 -1.66 0
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54801 17389301 1 NO4C17H17 AB4C17D17 -106.91 4.88 -8.14 -1.24 0
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54802 17389302 1 O2N3C24H27 A2B3C24D27 -15.8 7.37 -9.0 -0.54 0
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54803 17389306 1 Cl2N2O3H14C16 A2B2C3D14E16 -57.32 4.52 -8.81 -1.36 0
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54804 17389309 1 SN3O3C27H31 AB3C3D27E31 -70.63 6.13 -8.57 -1.37 0
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54805 17389310 1 N2O2S2C27H34 A2B2C2D27E34 -17.79 2.71 -8.22 -1.74 0
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54806 17389314 1 BrFS2N3H19C23 ABC2D3E19F23 73.75 3.84 -8.57 -1.12 0
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54807 17389315 1 BrISN2F3H11C16 ABCD2E3F11G16 -81.31 1.26 -8.8 -1.11 0
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54808 17389317 1 BrCl2O2S2N3C20H20 AB2C2D2E3F20G20 -40.77 8.51 -8.96 -1.4 0
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54809 17389321 1 BrFO2S2N3H25C31 ABC2D2E3F25G31 17.51 2.3 -8.24 -0.99 0
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54810 17389323 1 IOSBr2N2H13C16 ABCD2E2F13G16 47.17 5.15 -8.61 -1.0 0
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54811 17389325 1 BrSN3O3H16C17 ABC3D3E16F17 14.72 7.99 -8.53 -1.39 0
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54812 17389327 1 BrClSO2N3H19C23 ABCD2E3F19G23 46.33 5.49 -8.56 -0.82 0
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54813 17389332 1 BrSN3O4H28C32 ABC3D4E28F32 -10.65 4.93 -8.45 -0.99 0
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54814 17389334 1 BrClSO2N3H29C34 ABCD2E3F29G34 47.01 3.93 -8.46 -0.83 0
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54815 17389335 1 BrIO2S2N3C19H19 ABC2D2E3F19G19 -3.34 6.12 -8.8 -1.28 0
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54816 17389336 1 BrIS2N3O3C19H19 ABC2D3E3F19G19 -35.04 7.87 -8.89 -1.28 0
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54817 17389337 1 BrO2S2F3N3C20H21 AB2C2D3E3F20G21 -192.22 10.94 -9.07 -1.41 0
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54818 17389340 1 BrS2N3O3C21H24 AB2C3D3E21F24 -58.62 7.13 -8.93 -0.81 0
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54819 17389341 1 BrSN3O4H32C35 ABC3D4E32F35 -52.58 6.35 -7.84 -0.72 0
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54820 17389342 1 BrS2N3O4C22H26 AB2C3D4E22F26 -97.2 12.61 -8.69 -0.97 0
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54821 17389346 1 SO2N6H26C27 AB2C6D26E27 98.78 5.02 -8.57 -1.04 0
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54822 17389348 1 SO2Cl3N4H17C23 AB2C3D4E17F23 25.32 2.56 -9.12 -0.92 0
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54823 17389349 1 BrN4O4H7C10 AB4C4D7E10 10.88 8.48 -9.7 -2.33 0
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54825 17389354 1 BrNS2O5H8C13 ABC2D5E8F13 -114.55 7.67 -9.38 -1.97 0
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54826 17389360 1 SN4C21H24 AB4C21D24 84.33 4.47 -8.15 -0.45 0
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54827 17389361 1 SN4C22H26 AB4C22D26 78.94 4.61 -8.16 -0.45 0
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54828 17389363 1 BrSCl2N2O4H17C25 ABC2D2E4F17G25 -58.89 2.74 -9.15 -2.01 0
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54829 17389367 1 BrClSN2O4H20C26 ABCD2E4F20G26 -57.67 4.16 -9.02 -1.94 0
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54830 17389368 1 BrN5H10C11 AB5C10D11 159.88 6.09 -8.86 -2.19 0
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54831 17389369 1 NO4C15H25 AB4C15D25 -215.97 4.81 -9.64 0.74 0
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54832 17389370 1 SO2N4H16C18 AB2C4D16E18 36.18 13.59 -7.86 -1.66 0
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54833 17389372 1 SO2N5H15C17 AB2C5D15E17 47.84 10.76 -8.01 -1.84 0
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54834 17389374 1 SO2N5H13C19 AB2C5D13E19 85.08 10.93 -7.98 -2.18 0
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54835 17389375 1 PO2Cl5C16H16 AB2C5D16E16 -25.4 27.69 -6.61 -2.17 0
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54836 17389378 3 NO2H3C4 AB2C3D4 -130.1 7.06 -10.22 -1.74 0
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54837 17389381 1 NaN2S2H5C6O6 AB2C2D5E6F6 -281.65 10.86 -8.95 -1.68 0
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54838 17389382 2 ON2C9H12 AB2C9D12 -34.61 1.62 -8.82 -1.15 0
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54839 17389384 1 NO2H6C7F7 AB2C6D7E7 -428.6 4.16 -10.02 -0.88 0
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54840 17389386 1 N3O4C17H17 A3B4C17D17 -102.82 4.01 -9.24 -0.64 0
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54841 17389387 1 N3O4C24H25 A3B4C24D25 -58.14 6.07 -9.26 -1.74 0
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54842 17389388 1 O4C8N9H11 A4B8C9D11 94.49 2.6 -8.88 -1.84 0
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54843 17389389 1 OBr2H20C22 AB2C20D22 23.97 4.9 -9.45 -0.45 0
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54844 17389390 1 OSN3C12H13 ABC3D12E13 29.45 3.4 -9.09 -0.98 0
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54845 17389391 1 SN3O3C14H15 AB3C3D14E15 -55.24 6.33 -9.32 -1.34 0
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54846 17389392 1 BrNS2O3H12C14 ABC2D3E12F14 -55.31 1.62 -9.43 -1.52 0
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54847 17389393 2 BrNOC2H7 ABCD2E7 -82.33 1.91 -10.04 0.44 0
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54848 17389394 1 BrS2O4N5C31H32 AB2C4D5E31F32 16.8 8.19 -9.02 -1.32 0
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54849 17389395 1 BrSCl2N2H13C16 ABC2D2E13F16 40.91 3.55 -8.59 -0.96 0
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54850 17389396 1 BrSN2C18H19 ABC2D18E19 31.39 2.47 -8.14 -0.41 0
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54851 17389397 1 BrSN4O4H27C34 ABC4D4E27F34 4.52 4.13 -8.33 -1.49 0
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54852 17389401 1 FOSBr2Cl2N3H18C25 ABCD2E2F3G18H25 27.46 3.39 -8.67 -1.06 0
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54853 17389405 1 ISN3C16H18 ABC3D16E18 88.22 3.25 -8.82 -0.27 0
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54854 17389406 1 IOSN3C9H12 ABCD3E9F12 10.13 5.73 -8.37 -1.22 0
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54855 17389408 1 O2C5N5H7 A2B5C5D7 55.46 7.86 -9.17 -1.46 0
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54856 17389410 1 BrSN3C15H20 ABC3D15E20 26.81 6.75 -9.07 -0.98 0
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54857 17389414 1 NOBr2C14H21 ABC2D14E21 -37.65 8.92 -8.87 -0.44 0
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54858 17389417 1 BrFN2O2H20C24 ABC2D2E20F24 -10.55 2.6 -8.98 -0.57 0
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54859 17389418 1 INS2O4H16C24 ABC2D4E16F24 -9.47 4.03 -9.06 -1.52 0
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54860 17389419 1 SN2O2Cl3H15C23 AB2C2D3E15F23 12.68 3.3 -9.08 -1.22 0
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54861 17389420 1 SN3O4H17C23 AB3C4D17E23 37.03 3.24 -9.19 -1.64 0
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54862 17389423 1 SN3O5H17C19 AB3C5D17E19 -42.58 3.54 -9.24 -1.7 0
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54863 17389428 1 O3N5C20H21 A3B5C20D21 -7.52 5.9 -8.68 -0.32 0
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54864 17389430 1 ClNSC12H22 ABCD12E22 -66.72 2.62 -8.67 0.3 0
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54865 17389431 1 ClSN2C13H19 ABC2D13E19 -33.8 2.33 -8.92 -0.39 0
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54866 17389438 1 ClN2O2H15C17 AB2C2D15E17 7.75 3.13 -8.78 -1.3 0
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54867 17389440 1 N2O3H18C21 A2B3C18D21 -2.43 5.23 -8.66 -1.02 0
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54868 17389446 1 SN2O4H22C23 AB2C4D22E23 -2.3 9.11 -9.1 -2.56 0
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54869 17389447 1 BrClSN2O2H24C26 ABCD2E2F24G26 -6.96 3.37 -8.38 -0.54 0
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54870 17389450 1 BrOSN2H21C23 ABCD2E21F23 47.83 4.98 -8.29 -0.43 0
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54871 17389454 1 ClON2C16H21 ABC2D16E21 -45.4 6.8 -8.69 -0.16 0
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54872 17389456 1 IN2C15H21 AB2C15D21 32.73 12.33 -7.02 -0.32 0
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54873 17389457 1 Cl4N6C23H24 A4B6C23D24 38.67 6.02 -9.11 -0.72 0
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54874 17389460 1 ClNO5H24C27 ABC5D24E27 61.5 14.83 -9.28 -2.35 1
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54875 17389461 1 NOH24C27 ABC24D27 76.69 1.58 0.0 0.0 0
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54876 17389462 1 N3O5C26H37 A3B5C26D37 -197.64 6.44 -8.84 -1.55 0
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54877 17389467 1 ON2S2H16C21 AB2C2D16E21 84.75 4.84 -8.68 -1.34 0
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54878 17389469 1 BF4O4H29C31 AB4C4D29E31 -363.17 22.19 -9.1 -2.22 0
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54879 17389470 1 N3O4C24H27 A3B4C24D27 -105.5 9.31 -7.75 -0.3 0
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54880 17389471 1 SN3O3C21H23 AB3C3D21E23 -65.36 9.19 -8.51 -0.59 0
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54881 17389473 2 ON2C18H20 AB2C18D20 -28.43 4.05 -7.89 -0.29 0
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54882 17389476 1 N5H7O8C13 A5B7C8D13 -2.85 6.05 -9.91 -3.04 0
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54883 17389478 1 NSO9H13C22 ABC9D13E22 -271.75 8.84 -9.94 -2.49 0
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54884 17389480 1 S2N4O4H14C21 A2B4C4D14E21 115.72 3.91 -9.17 -1.94 0
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54885 17389483 1 ClON2H23C24 ABC2D23E24 12.22 3.31 -8.81 -0.64 0
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54886 17389484 2 N2O5C17H19 A2B5C17D19 -331.05 3.28 -8.68 -1.47 0
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54887 17389485 2 N3O4C18H18 A3B4C18D18 -164.46 4.58 -8.81 -1.78 0
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54888 17389487 2 ClNO3H19C21 ABC3D19E21 -148.0 4.46 -8.17 -1.33 0
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54889 17389490 1 NO5H13C16 AB5C13D16 -154.93 10.59 -9.77 -0.97 0
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54890 17389491 1 C5O6H12N12 A5B6C12D12 14.44 1.0 -9.59 -1.36 0
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54891 17389495 1 ON3H17C19 AB3C17D19 49.21 4.38 -8.43 -0.77 0
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54892 17389499 1 BrNOSC8H8 ABCDE8F8 -18.29 2.81 -8.85 -0.7 0
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54893 17389500 1 SI2N3H11C14 AB2C3D11E14 120.2 5.3 -8.81 -1.7 0
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54894 17389502 1 F2N2O4C13H14 A2B2C4D13E14 -229.62 2.45 -8.8 -1.53 0
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54895 17389503 1 FN2O4C14H17 AB2C4D14E17 -191.52 4.17 -8.18 -1.78 0
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54896 17389505 1 NO5C15H21 AB5C15D21 -194.6 3.97 -8.99 -1.02 0
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54897 17389507 1 N2O5C21H24 A2B5C21D24 -153.87 8.62 -8.25 -1.41 0
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54898 17389508 2 ClNO2C10H10 ABC2D10E10 -144.53 6.8 -8.46 -0.74 0
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54899 17389509 1 N2O4C21H24 A2B4C21D24 -124.38 1.49 -8.38 -1.25 0
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54900 17389510 1 N3O4C21H23 A3B4C21D23 -84.61 2.6 -8.58 -1.31 0