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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149077 53788748 1 BrNO3C9H14 ABC3D9E14 -140.8 5.67 -9.66 -0.64 0
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149078 53788749 1 N3O3C18H19 A3B3C18D19 -27.56 5.94 -8.77 -0.56 1
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149079 53788750 1 N2S2C23H23 A2B2C23D23 88.6 2.55 0.0 0.0 1
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149080 53788751 1 NPO8C48H93 ABC8D48E93 -530.76 4.66 0.0 0.0 0
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149081 53788752 1 ClH7C11 AB7C11 95.43 1.45 -8.79 -0.9 0
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149082 53788753 1 SCl4N9O11C57H57 AB4C9D11E57F57 -279.58 10.83 -8.33 -0.97 0
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149083 53788754 1 O2N3C14H21 A2B3C14D21 -36.67 3.68 -8.77 0.28 0
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149084 53788755 1 NO3C23H25 AB3C23D25 -56.98 3.02 -8.2 -0.04 0
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149085 53788756 1 INO2H8C10 ABC2D8E10 9.06 2.48 -9.45 -0.75 0
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149086 53788757 3 C7H10 A7B10 -30.16 0.55 -9.18 0.5 1
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149087 53788758 1 SN2F3O8C13H14 AB2C3D8E13F14 -411.08 8.56 0.0 0.0 0
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149088 53788759 1 SN2O4C29H42 AB2C4D29E42 -214.54 1.69 -9.28 -0.16 0
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149089 53788760 1 OC30H44 AB30C44 -33.02 2.05 -8.3 -0.07 0
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149090 53788761 2 O3C16H25 A3B16C25 -318.75 3.56 -9.08 -0.14 0
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149091 53788762 1 SO2C20H22 AB2C20D22 -34.81 5.13 -8.8 -0.31 0
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149092 53788763 1 NO4C11H13 AB4C11D13 -145.48 1.77 -9.32 -0.92 0
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149093 53788764 1 O3N7C30H35 A3B7C30D35 -13.95 8.11 -8.1 -0.29 0
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149094 53788765 3 OC3H4 AB3C4 -71.9 1.7 -10.46 0.44 0
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149095 53788766 1 NSO3C11H17 ABC3D11E17 -103.82 6.62 -9.64 -0.3 0
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149096 53788767 1 ClON2C27H27 ABC2D27E27 40.91 4.21 -8.9 -0.43 0
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149097 53788768 1 ClON2C27H27 ABC2D27E27 40.66 2.66 -8.86 -0.41 0
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149098 53788769 1 NO3C6H7 AB3C6D7 -76.8 2.35 -8.88 -0.2 0
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149099 53788770 1 Si3O11C27H62 A3B11C27D62 -698.15 3.47 -9.48 1.15 0
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149100 53788771 1 ClN3O4H20C23 AB3C4D20E23 -72.65 7.15 -8.85 -1.33 0
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149101 53788773 2 NOC18H20 ABC18D20 -35.08 8.05 -8.04 -0.54 0
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149102 53788774 1 O2N3C10H11 A2B3C10D11 22.04 4.17 -9.1 -0.82 0
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149103 53788775 1 PSN2O3C16H19 ABC2D3E16F19 -95.51 2.88 -9.0 -0.65 0
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149104 53788776 1 Cl2N3O3H19C20 A2B3C3D19E20 -79.5 3.71 -9.54 -1.07 0
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149105 53788777 2 F2O3C17H22 A2B3C17D22 -475.63 8.45 -10.07 -1.29 1
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149106 53788778 1 N2O4H17C19 A2B4C17D19 -84.94 13.18 0.0 0.0 0
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149107 53788779 1 NO5C19H19 AB5C19D19 -131.4 2.28 -9.57 -0.62 0
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149108 53788780 2 O2C11H17 A2B11C17 -218.89 4.31 -9.49 0.24 0
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149109 53788781 1 O4C15H28 A4B15C28 -193.81 5.49 -9.64 0.51 0
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149110 53788782 2 ON2C10H10 AB2C10D10 56.53 2.05 -7.53 -0.89 0
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149111 53788783 1 O2N4H18C23 A2B4C18D23 52.87 4.78 -9.56 -1.44 0
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149112 53788784 1 ON3C18H27 AB3C18D27 -60.08 4.19 -8.52 0.3 0
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149113 53788785 1 N3O3C31H43 A3B3C31D43 -112.1 7.86 -8.21 -0.3 0
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149114 53788786 1 NO2C15H23 AB2C15D23 -77.42 2.12 -7.98 0.39 0
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149115 53788787 1 ClN7C12H16 AB7C12D16 92.35 2.85 -9.41 -1.03 0
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149116 53788788 1 BrC15H23 AB15C23 -30.03 2.51 -8.95 0.25 0
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149117 53788789 1 SN3O5C14H17 AB3C5D14E17 -109.85 4.0 -9.54 -0.94 0
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149118 53788790 2 NOC11H15 ABC11D15 -44.52 2.74 -8.88 -0.78 0
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149119 53788791 2 C7H9 A7B9 43.42 0.9 -9.19 0.39 0
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149120 53788792 1 ClO4N8C31H41 AB4C8D31E41 -88.08 6.1 -8.18 -0.85 0
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149121 53788793 1 NF4C24H29 AB4C24D29 -204.34 7.08 -9.7 -1.06 0
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149122 53788794 1 NSO2C7H11 ABC2D7E11 -75.89 2.74 -9.31 -0.1 0
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149123 53788795 1 N5O5C25H27 A5B5C25D27 -106.06 4.02 -8.2 -0.49 0
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149124 53788796 1 O7C48H78 A7B48C78 -446.61 4.54 -10.1 0.67 0
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149125 53788797 1 ClNO2H10C14 ABC2D10E14 -18.21 5.81 -9.42 -1.38 0
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149126 53788798 1 IN2O3C14H15 AB2C3D14E15 -71.32 3.33 -9.61 -1.04 0
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149127 53788799 1 OC20H28 AB20C28 -46.75 4.03 -9.54 -0.27 0
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149128 53788800 1 O4N5C17H21 A4B5C17D21 -99.46 9.54 -9.32 -1.29 0
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149129 53788801 1 O4N5C35H43 A4B5C35D43 -106.45 8.19 -8.12 -0.8 0
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149130 53788802 1 O7C24H24 A7B24C24 -222.96 2.8 -8.54 -0.68 0
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149131 53788803 1 NO5H15C19 AB5C15D19 -114.49 4.63 -8.95 -1.07 0
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149132 53788804 1 FN2C27H27 AB2C27D27 63.36 1.47 -9.01 -0.64 0
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149133 53788805 1 NO3C13H21 AB3C13D21 -115.78 1.03 -8.37 0.25 0
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149134 53788806 1 S3N8O10H38C41 A3B8C10D38E41 -224.58 10.22 -9.5 -1.41 0
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149135 53788807 1 BrO3C6H7 AB3C6D7 -119.91 1.35 -10.75 -1.1 0
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149136 53788808 2 N2C5H6 A2B5C6 65.79 1.61 -8.85 -0.6 0
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149137 53788809 1 S2N4O10H36C41 A2B4C10D36E41 -211.93 9.18 -8.65 -2.79 0
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149138 53788810 1 NSO3C9H13 ABC3D9E13 -104.87 5.86 -10.4 -1.13 0
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149139 53788811 2 CPH2N2 ABC2D2 61.52 6.03 -9.44 -1.65 0
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149140 53788812 1 N5O8C37H47 A5B8C37D47 -294.74 13.31 -8.49 -0.28 0
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149141 53788813 1 ClNSO6H10C13 ABCD6E10F13 -148.44 5.8 -10.52 -1.28 0
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149142 53788814 1 NF3O3H10C11 AB3C3D10E11 -183.28 5.86 -10.28 -1.54 0
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149143 53788815 1 SN2O4C16H26 AB2C4D16E26 -191.12 2.09 -9.8 -0.99 0
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149144 53788816 2 NC5H7 AB5C7 4.67 0.58 -7.78 0.54 0
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149145 53788817 2 SN2O4C8H8 AB2C4D8E8 -208.05 5.61 -8.64 -1.63 0
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149146 53788818 1 N3O5C33H55 A3B5C33D55 -277.11 4.79 -10.05 -0.45 0
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149147 53788819 1 N6H20C31 A6B20C31 192.79 3.52 -8.62 -1.31 0
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149148 53788820 1 S2O5C8H14 A2B5C8D14 -196.13 5.01 -9.05 -1.18 0
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149149 53788821 1 N3O6C21H35 A3B6C21D35 -201.37 4.93 -9.64 0.51 0
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149150 53788822 2 NO2H4C6 AB2C4D6 -93.39 3.65 -8.87 -1.72 0
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149151 53788823 1 N3O5C24H37 A3B5C24D37 -220.0 4.73 -8.96 -0.14 0
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149152 53788824 1 N3O5C24H37 A3B5C24D37 -217.84 2.33 -9.04 0.04 0
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149153 53788825 1 O7C24H34 A7B24C34 -325.0 3.99 -9.39 -0.38 0
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149154 53788826 1 NPSO3C17H22 ABCD3E17F22 -109.08 6.68 -9.43 -1.36 0
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149155 53788827 1 O2N3C20H29 A2B3C20D29 -71.56 4.95 -8.55 -0.45 0
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149156 53788828 1 NO2C22H25 AB2C22D25 -43.68 5.25 -9.27 -0.11 0
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149157 53788829 2 N2C6H9 A2B6C9 36.39 2.94 -8.04 0.48 0
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149158 53788830 1 ON2C8H16 AB2C8D16 -47.04 2.67 -9.15 0.4 0
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149159 53788831 2 OC11H18 AB11C18 -113.43 2.43 -8.51 0.24 0
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149160 53788832 1 Cl2O2N4H14C21 A2B2C4D14E21 18.58 5.94 -8.83 -1.11 0
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149161 53788833 1 OC28H42 AB28C42 -56.2 1.59 -9.12 0.4 0
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149162 53788834 1 ON3C10H13 AB3C10D13 25.98 3.29 -8.92 -0.14 0
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149163 53788835 1 N2C23H30 A2B23C30 45.92 1.29 -8.64 0.38 0
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149164 53788836 1 NO2C22H39 AB2C22D39 -99.74 1.63 -8.41 1.01 0
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149165 53788837 2 NO2C6H8 AB2C6D8 -146.84 5.32 -9.51 -0.08 0
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149166 53788838 1 O3H8C9 A3B8C9 -93.55 6.36 -9.93 -0.48 0
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149167 53788839 1 NO2C9H15 AB2C9D15 -84.81 3.21 -9.3 0.43 0
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149168 53788840 1 NO5C15H15 AB5C15D15 -146.57 2.12 -9.7 -0.12 0
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149169 53788841 1 IN2P2C9O11H13 AB2C2D9E11F13 -584.8 8.34 -9.68 -1.54 0
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149170 53788842 1 SN3O6H23C24 AB3C6D23E24 -125.31 4.02 -9.68 -0.76 0
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149171 53788843 2 BrN2O2H7C9 AB2C2D7E9 -78.09 4.7 -9.22 -1.24 0
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149172 53788844 1 BrSN2O3C23H29 ABC2D3E23F29 -75.96 8.78 -8.02 -0.31 0
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149173 53788845 1 PN2O7C18H21 AB2C7D18E21 -238.04 10.43 -10.04 -1.27 0
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149174 53788846 1 NOC7H17 ABC7D17 -69.81 2.46 -9.04 2.31 0
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149175 53788847 1 ClNO3H8C9 ABC3D8E9 -61.52 5.88 -9.8 -0.85 0
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149176 53788848 1 SN4O4C33H42 AB4C4D33E42 -140.48 3.06 -8.67 -0.66 0