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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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442864 135256633 1 O2N9H25C27 A2B9C25D27 84.07 5.02 -8.86 -1.3 0
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442865 135256634 1 ON8H24C27 AB8C24D27 118.72 5.08 -8.86 -1.24 0
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442866 135256689 2 ON4H12C14 AB4C12D14 68.18 5.01 -9.44 -1.47 0
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442867 135256691 1 FO2N8H27C30 AB2C8D27E30 3.94 9.17 -9.47 -1.42 0
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442868 135256692 1 OF2N9H21C29 AB2C9D21E29 66.26 10.86 -9.52 -1.81 0
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442869 135256695 1 ON10C28H28 AB10C28D28 145.96 9.94 -8.8 -1.1 0
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442870 135256696 1 ON10C28H30 AB10C28D30 107.47 8.46 -8.79 -1.08 0
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442871 135256698 1 FON10H25C27 ABC10D25E27 114.1 7.0 -8.89 -1.5 0
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442872 135256699 1 ON10C27H28 AB10C27D28 117.91 4.98 -8.86 -1.23 0
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442873 135256700 1 FON10H23C28 ABC10D23E28 113.52 7.64 -9.32 -1.4 0
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442874 135256701 1 FO2N9H20C27 AB2C9D20E27 104.6 5.54 -9.6 -1.62 0
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442875 135256702 1 OF2N10H24C28 AB2C10D24E28 70.93 4.69 -8.46 -1.58 0
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442876 135256703 1 ON9H27C29 AB9C27D29 150.1 3.34 -8.33 -1.18 0
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442877 135256704 1 FO2N10H21C27 AB2C10D21E27 88.47 6.38 -8.88 -1.59 0
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442878 135256705 1 O2N10H28C29 A2B10C28D29 117.79 12.52 -8.37 -1.3 0
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442879 135256706 1 FON9H20C27 ABC9D20E27 122.99 6.49 -9.14 -1.58 0
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442880 135256708 1 O3N8H24C27 A3B8C24D27 63.48 6.9 -8.91 -1.34 0
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442881 135256710 1 OF2N10H24C28 AB2C10D24E28 67.5 7.45 -8.39 -1.46 0
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442882 135256711 1 O2N8H20C27 A2B8C20D27 150.02 2.27 -9.21 -1.55 0
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442883 135256771 1 FON9H22C29 ABC9D22E29 108.24 8.54 -9.54 -1.62 0
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442884 135256773 1 OF2N8H22C30 AB2C8D22E30 52.81 12.12 -9.43 -1.68 0
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442885 135256775 1 FO2N8H25C29 AB2C8D25E29 7.86 10.96 -9.4 -1.42 0
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442886 135256780 1 O2N8H26C31 A2B8C26D31 98.94 9.64 -8.96 -1.39 0
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442887 135256781 1 O3N8H26C29 A3B8C26D29 17.63 4.02 -8.99 -1.43 0
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442888 135256782 1 FO2N8H25C29 AB2C8D25E29 7.49 5.45 -9.59 -1.51 0
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442889 135256783 1 O2N9H23C26 A2B9C23D26 93.29 7.07 -8.98 -1.53 0
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442890 135256784 1 FON9H22C26 ABC9D22E26 82.72 8.24 -9.19 -1.58 0
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442891 135256785 1 FO2N9H22C26 AB2C9D22E26 66.34 8.54 -9.54 -1.46 0
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442892 135256786 1 ON8H22C29 AB8C22D29 150.04 10.72 -9.34 -1.46 0
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442893 135256788 1 FO2N8H23C30 AB2C8D23E30 63.14 10.66 -8.89 -1.61 0
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442894 135256789 1 ON7H25C31 AB7C25D31 133.7 10.21 -9.28 -1.4 0
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442895 135256790 2 FON4H11C14 ABC4D11E14 -28.45 7.81 -9.56 -1.73 0
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442896 135256791 1 O2N7H21C26 A2B7C21D26 109.87 6.12 -9.17 -1.38 0
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442897 135256793 1 OF2N9H27C29 AB2C9D27E29 19.75 8.59 -9.0 -1.54 0
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442898 135256794 1 FO2N9H26C28 AB2C9D26E28 34.34 5.2 -8.9 -1.44 0
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442899 135256795 1 FON8C29H29 ABC8D29E29 79.91 6.82 -8.52 -1.33 0
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442900 135256838 1 FOSN9H18C26 ABCD9E18F26 137.18 5.74 -9.16 -2.16 0
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442901 135256850 1 FON8H23C27 ABC8D23E27 76.19 5.5 -8.91 -1.47 0
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442902 135256851 1 ON8H26C28 AB8C26D28 111.82 3.88 -8.83 -1.19 0
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442903 135256852 1 ON9H25C27 AB9C25D27 121.87 4.34 -8.85 -1.22 0
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442904 135256853 1 FON10H21C24 ABC10D21E24 102.31 6.5 -8.89 -1.34 0
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442905 135256854 1 FON10H25C26 ABC10D25E26 88.72 6.2 -8.86 -1.21 0
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442906 135256855 1 FON9H26C28 ABC9D26E28 66.82 8.6 -8.88 -1.28 0
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442907 135256856 1 O2N9H27C28 A2B9C27D28 77.46 3.65 -8.84 -1.19 0
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442908 135256857 1 OF2N9H25C28 AB2C9D25E28 24.14 9.08 -8.96 -1.5 0
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442909 135256858 1 FON9H26C28 ABC9D26E28 65.73 5.03 -8.85 -1.26 0
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442910 135256859 1 OF2N10H20C24 AB2C10D20E24 59.87 8.13 -8.97 -1.56 0
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442911 135256861 1 FON9H28C29 ABC9D28E29 63.2 7.55 -8.87 -1.26 0
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442912 135256864 1 FON10H25C26 ABC10D25E26 84.65 11.13 -8.86 -1.15 0
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442913 135256865 1 OF2N10H20C27 AB2C10D20E27 77.77 8.37 -9.44 -1.64 0
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442914 135256867 1 OF2N10H20C27 AB2C10D20E27 77.06 9.31 -9.44 -1.63 0
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442915 135256868 1 ON10H20C26 AB10C20D26 175.19 5.93 -9.33 -1.42 0
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442916 135256869 1 FO2N10H21C27 AB2C10D21E27 111.76 4.78 -9.73 -1.89 0
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442917 135256870 1 FOSN9H20C27 ABCD9E20F27 117.01 5.94 -9.41 -1.77 0
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442918 135256871 1 FOSN9H20C27 ABCD9E20F27 116.54 7.16 -9.41 -1.77 0
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442919 135256882 1 FO2N9H18C26 AB2C9D18E26 122.26 4.27 -9.18 -1.94 0
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442920 135256887 1 SO2N9H23C28 AB2C9D23E28 121.0 4.51 -9.08 -1.73 0
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442921 135256891 1 SO2N10H20C26 AB2C10D20E26 144.84 4.62 -8.97 -2.1 0
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442922 135256906 1 O2N8C31H32 A2B8C31D32 80.84 7.66 -8.48 -0.87 0
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442923 135256924 1 ON8H24C28 AB8C24D28 118.42 8.06 -9.19 -1.39 0
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442924 135256927 2 ON5H13C14 AB5C13D14 124.1 12.68 -8.37 -1.32 0
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442925 135256929 1 FON9H26C28 ABC9D26E28 63.59 12.2 -8.89 -1.13 0
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442926 135256933 1 FO2N9H26C28 AB2C9D26E28 37.71 4.91 -8.85 -1.44 0
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442927 135256934 1 FON9H28C29 ABC9D28E29 60.19 6.73 -8.88 -1.27 0
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442928 135256935 1 FO2N10H21C27 AB2C10D21E27 80.76 9.66 -8.95 -1.89 0
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442929 135256936 1 FON10H25C28 ABC10D25E28 101.99 14.31 -8.34 -1.23 0
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442930 135256937 1 FON9H24C27 ABC9D24E27 65.16 6.27 -8.74 -1.59 0
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442931 135256940 1 O2N9H25C27 A2B9C25D27 74.95 4.46 -8.73 -1.51 0
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442932 135256941 1 ON10H24C27 AB10C24D27 158.02 12.53 -8.32 -1.2 0
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442933 135256945 1 NO6C13H19 AB6C13D19 -248.4 7.49 -8.8 -0.23 0
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442934 135256959 1 NSO10C19H23 ABC10D19E23 -374.3 4.89 -8.61 -1.11 0
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442935 135256976 1 NO3C12H23 AB3C12D23 -129.49 2.49 -9.71 1.3 1
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442936 135256998 1 NSO5C12H18 ABC5D12E18 -162.93 4.39 0.0 0.0 0
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442937 135256999 1 N3O14C33H35 A3B14C33D35 -469.62 7.75 -8.7 -1.65 0
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442938 135257002 1 OBr2N2H16C30 AB2C2D16E30 117.74 0.78 -8.82 -2.15 1
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442939 135257003 1 P3S3N11O18C54H71 A3B3C11D18E54F71 -764.21 14.28 0.0 0.0 0
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442940 135257005 1 N3P3C10O12H18 A3B3C10D12E18 -704.76 9.93 -9.89 -0.76 0
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442941 135257008 1 S2P3N8O21C32H53 A2B3C8D21E32F53 -1014.55 8.59 -9.11 -1.52 0
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442942 135257009 1 S2N3O7C18H37 A2B3C7D18E37 -343.81 2.04 -8.94 -1.02 0
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442943 135257010 1 SP2N3O13C21H31 AB2C3D13E21F31 -640.78 5.37 -8.75 -0.33 1
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442944 135257011 1 PSN2O10C21H28 ABC2D10E21F28 -398.58 5.04 0.0 0.0 1
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442945 135257012 1 SP2N5O12C22H30 AB2C5D12E22F30 -497.46 14.4 0.0 0.0 0
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442946 135257013 1 SP2N5O12C22H31 AB2C5D12E22F31 -550.18 3.01 -8.53 -0.4 0
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442947 135257014 1 N3P3O15C16H24 A3B3C15D16E24 -827.16 4.5 -9.72 -1.16 0
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442948 135257015 2 NO4H28C36 AB4C28D36 -69.27 4.66 -8.52 -2.25 0
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442949 135257021 1 N2O2H16C17 A2B2C16D17 -2.56 2.07 -8.85 -1.01 0
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442950 135257068 1 OSN2C5H10 ABC2D5E10 -4.03 4.51 -8.73 -0.24 1
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442951 135257071 1 PO4N5C14H17 AB4C5D14E17 -95.08 0.89 0.0 0.0 0
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442952 135257073 1 ClOSN7C21H26 ABCD7E21F26 30.9 5.05 -8.54 -0.86 0
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442953 135257075 1 F3O3N6C19H21 A3B3C6D19E21 -174.05 0.96 -8.34 -0.67 0
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442954 135257117 1 NOC10H19 ABC10D19 -67.56 4.54 -8.38 0.76 0
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442955 135257118 1 ClOSN7C22H26 ABCD7E22F26 64.02 3.02 -8.74 -1.08 0
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442956 135257120 1 O2N3C11H19 A2B3C11D19 -99.74 2.61 -8.97 0.07 0
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442957 135257129 1 NO2C10H19 AB2C10D19 -105.04 2.06 -9.03 2.06 0
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442958 135257133 1 ClO2N5C23H28 AB2C5D23E28 -5.82 4.04 -8.23 -0.47 0
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442959 135257143 1 NO2C16H21 AB2C16D21 -58.49 1.57 -8.32 0.24 0
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442960 135257145 1 ClO2N5C15H18 AB2C5D15E18 -47.79 6.35 -7.74 -0.55 0
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442961 135257149 1 ClON3C14H16 ABC3D14E16 93.12 3.56 -8.38 -0.61 0
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442962 135257150 1 ClON3C14H14 ABC3D14E14 104.22 4.87 -8.44 -0.67 0
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442963 135257151 1 ClOSN7C22H28 ABCD7E22F28 28.69 1.0 -8.61 -0.85 0