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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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390830 135001156 1 NSiC10H19 ABC10D19 -10.58 1.67 -8.59 1.12 0
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390831 135001164 1 NSO2C23H33 ABC2D23E33 -79.61 5.46 -9.34 -0.3 0
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390832 135001165 1 NO4C13H25 AB4C13D25 -228.16 4.17 -9.9 0.69 0
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390833 135001166 1 OC12H22 AB12C22 -59.24 2.07 -9.56 1.03 0
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390834 135001167 1 ON2C12H14 AB2C12D14 3.78 5.74 -8.18 -0.1 0
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390835 135001168 2 NC12H15 AB12C15 41.49 1.6 -8.85 -0.77 0
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390836 135001171 1 PO4C16H17 AB4C16D17 -138.33 1.93 -9.3 -0.01 0
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390837 135001187 1 BrFNO6C13H13 ABCD6E13F13 -195.89 4.32 -9.9 -0.67 0
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390838 135001188 2 NO2C12H13 AB2C12D13 -103.19 7.51 -9.98 -0.52 0
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390839 135001189 1 N3O4C26H31 A3B4C26D31 -112.13 2.86 -9.59 -0.51 0
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390840 135001201 1 NSO2C20H23 ABC2D20E23 -39.55 5.71 -9.12 -0.38 0
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390841 135001206 1 NSBr2O3H9C15 ABC2D3E9F15 -34.02 3.96 -9.13 -1.0 0
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390842 135001207 1 OPN2F6C22H25 ABC2D6E22F25 -392.76 7.45 -8.96 -0.68 0
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390843 135001210 1 NOSeBr3H12C16 ABCD3E12F16 39.3 5.34 -9.27 -1.95 0
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390844 135001227 1 OSSiC9H18 ABCD9E18 -83.61 3.34 -8.89 -0.1 0
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390845 135001228 2 OC6H6 AB6C6 -45.15 4.52 -9.54 -0.05 0
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390846 135001235 1 NSeO3C18H21 ABC3D18E21 -92.94 4.26 -9.09 -0.53 0
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390847 135001252 1 O3C15H22 A3B15C22 -116.47 4.5 -9.56 0.17 0
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390848 135001254 1 BClSiO2C23H30 ABCD2E23F30 -164.0 5.29 -8.9 0.16 0
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390849 135001260 1 FeOSC21H26 ABCD21E26 134.77 6.4 -7.83 -0.52 0
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390850 135001262 1 FeOSC21H26 ABCD21E26 309.06 10.36 -5.96 -3.98 0
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390851 135001282 1 NO4C22H25 AB4C22D25 -131.03 3.0 -8.26 0.21 0
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390852 135001286 1 O3C9H14 A3B9C14 -135.26 2.4 -10.1 -0.18 0
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390853 135001289 2 BO2C11H21 AB2C11D21 -378.47 4.16 -9.05 1.51 0
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390854 135001294 1 NSO3C15H21 ABC3D15E21 -110.69 3.34 -8.74 -0.82 0
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390855 135001298 2 ClNH9C13 ABC9D13 127.89 3.33 -9.24 -0.67 0
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390856 135001301 1 FNO3C21H22 ABC3D21E22 -120.31 3.96 -8.43 -0.68 0
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390857 135001302 2 O2H10C11 A2B10C11 -102.74 4.47 -8.6 -0.53 0
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390858 135001303 1 NOSnC22H33 ABCD22E33 -38.58 4.21 -8.67 -0.46 0
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390859 135001308 1 SiO4N5C29H35 AB4C5D29E35 -121.56 5.08 -8.97 -0.93 0
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390860 135001318 1 NO4C29H33 AB4C29D33 -101.87 2.25 -8.75 -0.01 0
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390861 135001319 1 ON4C14H18 AB4C14D18 37.03 6.04 -10.04 -1.01 0
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390862 135001320 2 ON2C10H11 AB2C10D11 32.99 3.95 -9.49 -0.92 0
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390863 135001321 1 NSO3C12H21 ABC3D12E21 -167.84 2.97 -8.88 -0.05 0
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390864 135001327 1 ClNOC15H20 ABCD15E20 -40.47 3.42 -8.09 0.05 0
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390865 135001328 2 NO2C6H8 AB2C6D8 -132.82 4.5 -9.74 -0.95 0
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390866 135001330 1 FSN2O4C21H23 ABC2D4E21F23 -163.8 6.65 -8.87 -0.7 -1
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390867 135001344 1 C2N2S2O3H7 A2B2C2D3E7 -90.4 4.17 0.0 0.0 0
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390868 135001369 1 O2C17H18 A2B17C18 -37.66 3.4 -8.72 0.2 0
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390869 135001374 1 O3H16C18 A3B16C18 -59.94 4.17 -9.63 -0.68 0
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390870 135001376 1 O2C15H20 A2B15C20 -65.54 1.78 -9.06 0.26 0
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390871 135001385 1 N7O8C50H67 A7B8C50D67 -332.64 9.33 -8.1 -0.14 0
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390872 135001387 1 BrNaSO6C14H18 ABCD6E14F18 -215.54 40.75 -5.92 -2.42 0
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390873 135001388 1 SO2N3C11H21 AB2C3D11E21 -74.39 3.8 -8.41 -0.63 0
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390874 135001391 1 BNO5C20H26 ABC5D20E26 -273.67 1.15 -8.88 -0.57 0
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390875 135001394 2 O2H11C12 A2B11C12 -85.42 6.41 -9.56 -1.12 0
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390876 135001396 1 OC11H20 AB11C20 -55.03 2.77 -9.24 0.13 0
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390877 135001422 1 IN2O5C25H27 AB2C5D25E27 -78.03 6.3 -9.35 -1.9 0
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390878 135001423 1 N4O10C35H46 A4B10C35D46 -350.11 6.6 -8.88 -1.06 0
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390879 135001425 1 ClSN7O7C45H50 ABC7D7E45F50 -121.46 12.0 -8.59 -1.06 0
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390880 135001426 1 NO3C8H11 AB3C8D11 -110.97 2.02 -10.23 -0.21 0
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390881 135001428 1 O3C16H18 A3B16C18 -100.45 3.76 -9.13 0.18 0
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390882 135001429 1 BF3N5C28H45 AB3C5D28E45 -166.11 6.51 -8.11 -0.53 0
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390883 135001430 1 SO2C11H12 AB2C11D12 -32.99 6.35 -9.85 -0.13 0
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390884 135001431 1 NOC22H25 ABC22D25 8.43 3.06 -9.34 -0.08 0
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390885 135001433 1 O2F4H12C13 A2B4C12D13 -253.23 1.15 -10.34 -1.32 0
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390886 135001434 1 O3C17H20 A3B17C20 -98.02 1.14 -8.48 -0.38 0
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390887 135001441 1 NO3C20H25 AB3C20D25 -101.38 2.7 -9.5 -0.08 0
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390888 135001449 1 NOH13C19 ABC13D19 64.74 6.02 -9.19 -0.84 0
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390889 135001450 1 BrFO3H14C18 ABC3D14E18 -106.85 0.67 -10.05 -1.35 0
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390890 135001455 1 SO3C11H14 AB3C11D14 -108.38 3.51 -9.36 -0.44 0
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390891 135001460 1 PO3H23C24 AB3C23D24 -45.88 2.97 -8.66 -0.4 0
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390892 135001461 1 NSF3O9H18C21 ABC3D9E18F21 -364.31 4.61 -9.59 -1.73 0
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390893 135001463 1 NO2F7H14C23 AB2C7D14E23 -351.89 9.09 -9.6 -1.55 0
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390894 135001464 1 SiH26C29 AB26C29 106.22 0.82 -9.14 -0.33 0
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390895 135001465 1 N2O3H20C22 A2B3C20D22 8.92 8.64 -9.68 -1.28 0
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390896 135001466 1 O2H14C17 A2B14C17 -11.9 4.85 -9.1 -0.87 0
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390897 135001467 1 NSF3O9H18C21 ABC3D9E18F21 -357.55 2.22 -9.67 -1.71 0
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390898 135001469 1 ClNO4H8C10 ABC4D8E10 -64.65 6.21 -10.48 -1.82 0
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390899 135001470 1 ClNO2C11H12 ABC2D11E12 -74.07 6.6 -10.2 -0.41 0
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390900 135001474 1 BrO9C26H43 AB9C26D43 -469.01 3.26 -10.3 -0.74 0
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390901 135001499 1 ClRuSN2O2C41H56 ABCD2E2F41G56 21.11 2.44 0.0 0.0 0
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390902 135001512 1 O3H16C18 A3B16C18 -62.46 5.38 -9.55 -0.73 0
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390903 135001515 2 OC6H7 AB6C7 -59.68 3.47 -9.57 -0.73 0
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390904 135001516 1 NSO2C16H19 ABC2D16E19 -43.43 8.09 -9.91 -0.66 0
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390905 135001521 1 SO2C10H12 AB2C10D12 -58.67 1.97 -9.6 -1.07 0
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390906 135001538 2 OH8C9 AB8C9 -17.17 5.5 -9.04 -0.83 0
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390907 135001539 1 O3C16H18 A3B16C18 -98.83 2.09 -9.3 0.25 0
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390908 135001540 2 N2H8C9 A2B8C9 108.25 1.43 -8.66 -0.5 0
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390909 135001550 1 ClNO2H10C11 ABC2D10E11 -21.74 1.69 -9.46 -0.73 0
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390910 135001551 1 NOBr3C4H8 ABC3D4E8 -114.28 7.34 -9.78 -1.64 0
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390914 135001558 1 NSO9C25H39 ABC9D25E39 -420.62 7.94 -9.76 -0.1 0
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390915 135001559 1 SF2N3O7C28H33 AB2C3D7E28F33 -325.24 6.26 -9.44 -1.38 0
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390916 135001561 1 ON5C9H17 AB5C9D17 9.69 3.51 -9.48 -0.01 0
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390917 135001562 1 NO2C9H15 AB2C9D15 -32.06 5.01 -9.52 0.91 1
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390918 135001563 1 OPRuCl2C29H48 ABCD2E29F48 1.64 24.98 0.0 0.0 0
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390919 135001569 1 O2F3C14H15 A2B3C14D15 -227.07 4.08 -10.33 -0.8 0
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390920 135001571 1 ON2H18C19 AB2C18D19 34.94 0.82 -8.22 -0.31 0
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390921 135001578 1 NO2C12H13 AB2C12D13 -45.73 2.76 -9.07 0.11 0
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390922 135001587 1 ClSO3H5C7 ABC3D5E7 -97.06 5.72 -9.78 -1.09 0
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390923 135001597 1 NC2O2H3 AB2C2D3 21.47 4.5 -8.8 -1.05 0
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390924 135001599 1 ClN4O7C21H21 AB4C7D21E21 -202.62 4.04 -9.26 -0.96 0
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390925 135001601 1 OH16C17 AB16C17 10.97 4.19 -9.49 -0.51 0
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390926 135001603 1 NF2O2C12H13 AB2C2D12E13 -139.79 6.49 -9.12 -0.58 0
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390927 135001619 1 SN2H16C19 AB2C16D19 101.22 2.33 -8.49 -0.67 0
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390929 135001647 1 PO3H13C14 AB3C13D14 -122.39 5.14 -9.38 -0.71 0
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390930 135001648 1 PO5C13H17 AB5C13D17 -257.1 3.1 -10.08 -1.06 0
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390931 135001651 1 FO2H15C16 AB2C15D16 -70.51 5.67 -8.25 -0.37 0
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390932 135001654 3 NC5H5 AB5C5 81.27 2.75 -8.13 -0.24 -4
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390933 135001666 1 Cl2S2F3P3N5O11C18H23 A2B2C3D3E5F11G18H23 -741.64 3.82 -8.85 -1.45 0