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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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399858 135043218 2 NC8H8 AB8C8 64.56 3.43 -8.52 -0.15 0
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399859 135043264 1 O3C17H28 A3B17C28 -140.18 2.37 -9.4 0.04 0
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399860 135043279 1 NSO2C10H15 ABC2D10E15 -97.7 1.75 -9.13 -0.3 0
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399861 135043282 1 SO2C14H22 AB2C14D22 -48.39 2.47 -8.16 0.42 0
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399862 135043283 1 SN2O2C13H16 AB2C2D13E16 -42.89 4.7 -9.46 -0.56 0
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399863 135043309 1 BrO2H11C12 AB2C11D12 -50.38 3.63 -8.87 -0.63 0
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399864 135043320 1 OC11H24 AB11C24 -104.24 2.02 -10.13 2.89 0
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399865 135043321 1 N2C15H20 A2B15C20 16.94 2.91 -8.15 0.45 0
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399866 135043328 1 OSC15H22 ABC15D22 -52.03 1.16 -8.54 0.0 0
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399867 135043350 2 OH7C8 AB7C8 -12.07 4.75 -9.65 -0.98 0
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399868 135043354 1 FSN3O4H10C11 ABC3D4E10F11 -125.1 3.83 -10.68 -2.01 0
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399869 135043358 1 NC18H23 AB18C23 29.35 1.69 -8.48 0.44 0
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399870 135043366 1 OC12H20 AB12C20 -35.26 3.03 -9.56 -0.38 0
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399871 135043367 1 ON5C12H15 AB5C12D15 37.78 4.43 -8.41 -0.22 0
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399872 135043373 1 OC19H24 AB19C24 -28.84 1.87 -9.32 0.21 1
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399873 135043380 1 O2C8H11 A2B8C11 -56.61 2.57 0.0 0.0 0
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399874 135043393 1 ClO2C15H15 AB2C15D15 -22.97 2.12 -9.81 -1.01 0
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399875 135043399 1 BrO3C11H13 AB3C11D13 -111.54 4.19 -9.81 -0.35 0
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399876 135043400 1 NO2C15H27 AB2C15D27 -99.76 4.16 -9.06 0.52 1
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399877 135043403 1 AgN2H12C15 AB2C12D15 50.07 14.13 0.0 0.0 0
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399878 135043431 1 SO2N3C7H13 AB2C3D7E13 -47.01 1.36 -10.06 -0.55 0
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399879 135043435 1 NOC12H17 ABC12D17 -33.7 4.66 -8.95 0.81 0
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399880 135043440 2 OC9H10 AB9C10 -61.03 2.56 -8.84 0.03 0
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399881 135043442 1 BrN3O3H6C9 AB3C3D6E9 -1.4 4.34 -9.71 -1.38 0
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399882 135043444 1 O2N5H11C13 A2B5C11D13 36.82 6.67 -9.56 -0.69 0
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399883 135043449 1 O3H8C14 A3B8C14 21.95 4.11 -9.79 -1.06 0
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399884 135043466 1 SiC15H15 AB15C15 120.71 0.6 0.0 0.0 0
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399885 135043472 1 NO2C13H17 AB2C13D17 -72.33 1.98 -9.29 0.16 0
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399886 135043482 1 O4C15H20 A4B15C20 -169.03 2.97 -9.54 0.19 0
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399887 135043487 1 OBr2H14C16 AB2C14D16 23.1 3.38 -9.5 -0.71 0
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399888 135043490 1 N2O2C19H28 A2B2C19D28 -92.72 2.95 -8.65 0.42 0
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399889 135043517 2 NOC6H7 ABC6D7 -17.7 4.54 -8.62 -0.05 0
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399890 135043530 1 OC11H16 AB11C16 -27.34 2.0 -9.6 0.98 0
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399892 135043554 1 O3C17H18 A3B17C18 -106.26 3.57 -8.83 -0.29 0
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399893 135043576 1 INO2C11H18 ABC2D11E18 -87.71 5.92 -9.48 -0.74 0
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399894 135043583 1 NSeC14H15 ABC14D15 41.47 3.96 -8.26 0.01 0
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399895 135043584 4 OC4H4 AB4C4 -123.98 4.03 -8.5 -0.52 0
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399896 135043590 1 NO3C14H19 AB3C14D19 -113.13 4.72 -9.65 -0.08 0
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399897 135043591 1 FNOC15H30 ABCD15E30 -160.72 3.85 -9.32 1.39 0
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399898 135043606 1 O2Rh2C11H18 A2B2C11D18 -142.35 1.07 -9.08 -4.8 0
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399899 135043622 1 O3C12H16 A3B12C16 -137.1 0.72 -8.77 0.15 0
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399900 135043626 1 SO8H34C38 AB8C34D38 -201.3 9.03 -8.43 -0.66 0
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399901 135043640 2 OC6H8 AB6C8 -72.65 2.57 -9.72 -0.38 0
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399902 135043682 2 NO2C6H8 AB2C6D8 -86.4 4.72 -9.65 -0.48 1
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399903 135043684 1 NOC10H14 ABC10D14 -29.04 3.32 0.0 0.0 0
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399904 135043687 1 ClSO3H19C22 ABC3D19E22 -61.79 5.54 -8.41 -0.45 0
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399905 135043690 1 NO3C14H17 AB3C14D17 -47.32 3.94 -9.49 -0.3 -1
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399906 135043719 1 NH10C11 AB10C11 73.18 1.71 0.0 0.0 0
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399908 135043730 1 NO2C9H13 AB2C9D13 -51.93 3.48 -7.42 -0.7 0
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399909 135043736 1 FON2H9C11 ABC2D9E11 -31.54 6.77 -9.3 -0.72 0
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399910 135043737 1 NS2C13H19 AB2C13D19 14.48 5.99 -8.24 -0.43 1
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399911 135043756 1 NO2C11H12 AB2C11D12 5.86 5.61 0.0 0.0 0
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399912 135043759 1 SiO2C15H28 AB2C15D28 -136.98 3.09 -8.74 0.59 0
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399913 135043761 1 NSO2C16H17 ABC2D16E17 -27.47 4.16 -8.3 -0.07 0
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399914 135043762 1 ON3C9H11 AB3C9D11 42.6 3.44 -9.03 -0.25 0
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399915 135043765 1 N3O5C11H11 A3B5C11D11 -77.28 7.96 -8.83 -1.3 1
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399916 135043790 1 NSO5C7H14 ABC5D7E14 -223.15 5.7 0.0 0.0 1
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399917 135043794 1 SSeC4H5 ABC4D5 53.06 0.55 0.0 0.0 0
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399918 135043796 1 BOSiC11H25 ABCD11E25 -67.63 0.96 -8.14 0.64 0
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399919 135043798 1 SiO2C16H26 AB2C16D26 -125.66 1.41 -9.28 0.25 0
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399920 135043806 1 SC16H20 AB16C20 14.73 0.79 -8.92 0.18 0
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399921 135043818 1 NO3H13C16 AB3C13D16 -43.96 5.17 -10.04 -0.91 0
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399922 135043834 1 O4C13H22 A4B13C22 -204.69 3.15 -10.66 0.46 0
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399923 135043842 2 OC6H6 AB6C6 -58.04 1.55 -9.85 -0.62 0
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399924 135043863 1 NOC10H13 ABC10D13 8.95 2.44 -9.56 0.74 0
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399925 135043872 2 OH5C6 AB5C6 25.6 2.14 -9.76 -0.08 0
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399926 135043891 1 BrClNO4C12H13 ABCD4E12F13 -99.3 7.27 -10.32 -1.4 0
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399927 135043892 1 N2O3H12C13 A2B3C12D13 -78.4 4.29 -9.47 -1.3 0
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399928 135043895 1 SO2H12C14 AB2C12D14 -35.26 2.7 -8.69 -1.11 0
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399929 135043901 2 OH5C6 AB5C6 47.19 3.3 -9.72 -0.17 0
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399930 135043911 1 N2O5C12H12 A2B5C12D12 -18.45 4.46 -10.57 -2.3 0
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399931 135043912 1 ON2C14H20 AB2C14D20 -38.61 3.8 -9.3 0.37 1
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399932 135043920 1 INH5C6 ABC5D6 87.35 2.29 0.0 0.0 0
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399933 135043921 1 F5H9C14 A5B9C14 -208.77 3.8 -9.19 -1.0 -1
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399934 135043929 1 NO2C4H4 AB2C4D4 -10.7 3.08 0.0 0.0 0
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399935 135043935 1 RhC18H21 AB18C21 85.62 16.13 -9.87 -3.41 1
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399936 135043968 1 N3O3C11H16 A3B3C11D16 -63.96 5.88 0.0 0.0 0
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399937 135043991 1 BrO2C17H17 AB2C17D17 -19.7 3.14 -9.04 -0.48 0
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399938 135044004 1 NSSiC16H23 ABCD16E23 -0.36 5.61 -8.08 -0.25 0
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399939 135044006 1 O3C15H22 A3B15C22 -135.71 2.45 -9.85 -0.46 0
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399940 135044037 2 O2C7H8 A2B7C8 -134.25 1.3 -9.37 0.15 0
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399941 135044052 2 OC7H9 AB7C9 -93.84 2.69 -9.12 0.5 0
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399942 135044055 1 BrN4H5C6 AB4C5D6 77.38 5.76 -9.69 -1.19 0
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399943 135044065 1 N2C13H22 A2B13C22 -8.06 1.49 -8.34 0.45 0
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399944 135044075 1 SeNa2O6C10H10 AB2C6D10E10 -358.77 9.2 -6.96 0.29 0
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399945 135044093 1 NOC13H15 ABC13D15 -7.61 2.16 -9.09 -0.36 0
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399946 135044097 2 NOC6H7 ABC6D7 1.85 3.95 -8.72 0.1 0
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399947 135044098 1 BrOC15H21 ABC15D21 -60.89 2.87 -9.51 -0.37 0
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399948 135044099 1 NO3C16H21 AB3C16D21 -127.23 3.53 -9.25 -0.12 0
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399949 135044100 1 OSiC12H18 ABC12D18 -75.22 1.06 -9.03 0.17 0
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399950 135044102 1 SO4C13H16 AB4C13D16 -131.63 4.19 -9.93 -0.44 0
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399951 135044107 1 BrN2O2C15H21 AB2C2D15E21 -87.35 3.66 -8.98 -0.29 0
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399952 135044142 1 FO4C6H9 AB4C6D9 -230.23 5.07 -11.35 -0.5 0
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399953 135044146 2 OC7H8 AB7C8 -75.43 6.69 -9.52 -0.42 0
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399954 135044147 1 NS2O3H11C13 AB2C3D11E13 -1.4 5.0 -9.09 -0.77 0
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399955 135044156 1 N2C15H16 A2B15C16 45.12 3.0 -8.06 0.05 0
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399956 135044189 1 OC19H22 AB19C22 -8.14 3.08 -9.31 -0.48 1
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399957 135044193 1 NOC11H13 ABC11D13 -22.79 2.37 -7.98 0.25 0
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399958 135044198 1 OC19H22 AB19C22 -9.6 3.02 -9.4 0.06 1
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399959 135044206 1 NO3C8H16 AB3C8D16 -117.89 4.87 0.0 0.0 0