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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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4051 10646 1 SN2C18H20 AB2C18D20 49.67 3.99 -7.68 -0.13 0
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4052 10649 2 ClN2C15H20 AB2C15D20 -7.69 13.71 -7.54 -1.74 0
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4053 10652 1 N2O9C26H36 A2B9C26D36 -407.19 7.43 -8.86 -1.02 0
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4054 10653 1 NO4C21H25 AB4C21D25 -105.53 2.23 -8.1 0.28 0
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4055 10654 2 O2H9C11 A2B9C11 -93.46 3.81 -9.7 -1.0 0
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4056 10660 1 ClO3N5C24H28 AB3C5D24E28 -42.22 3.13 -8.85 -1.09 0
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4057 10661 1 ClO2N4C7H7 AB2C4D7E7 -48.28 2.2 -9.4 -0.96 0
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4058 10662 2 BrO2H4C7 AB2C4D7 -94.77 5.21 -9.47 -1.42 0
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4059 10663 1 SP3N7O19C24H38 AB3C7D19E24F38 -982.48 5.4 -8.99 -0.52 0
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4060 10664 2 ClNOC4H7 ABCD4E7 -140.29 6.66 -9.78 -0.92 0
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4061 10665 1 NO3H5C8 AB3C5D8 -40.78 4.99 -9.64 -1.68 0
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4062 10668 1 NS2C14H17 AB2C14D17 63.63 1.48 -8.72 -0.39 0
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4063 10669 1 NO2C18H23 AB2C18D23 -33.85 2.24 -8.78 0.2 0
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4064 10673 1 NS2H7O8C10 AB2C7D8E10 -230.97 1.85 -10.27 -2.56 0
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4065 10674 1 Cl2O2N4C21H24 A2B2C4D21E24 -89.87 6.55 -8.69 -1.05 0
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4066 10676 2 SO3H4C5 AB3C4D5 -205.54 5.04 -10.2 -1.87 0
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4067 10683 1 NO3C7H9 AB3C7D9 -110.97 1.86 -10.77 -0.34 0
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4068 10684 1 ON2C11H14 AB2C11D14 -14.59 3.01 -8.51 -0.05 0
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4069 10685 1 NOC10H11 ABC10D11 -14.44 3.55 -8.51 -0.06 0
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4070 10686 3 C3H4 A3B4 -1.78 1.11 -8.96 0.67 0
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4071 10688 2 OC4H4 AB4C4 -46.01 1.13 -10.38 -1.83 0
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4072 10690 1 C6O7H12 A6B7C12 -320.22 3.51 -11.05 0.1 0
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4073 10695 2 C5H7 A5B7 -11.76 0.5 -8.66 0.75 0
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4074 10696 1 OC9H12 AB9C12 -48.28 2.17 -8.6 0.46 0
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4075 10697 2 OC4H5 AB4C5 -85.5 1.53 -8.74 0.27 0
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4076 10700 1 SO2H4C5 AB2C4D5 -52.68 5.35 -9.84 -1.32 0
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4077 10704 1 NOC8H9 ABC8D9 -29.16 3.73 -9.62 -0.2 0
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4078 10705 1 P2N3C17O17H27 A2B3C17D17E27 -872.87 5.67 -10.19 -0.82 0
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4079 10712 1 O11C12H22 A11B12C22 -494.73 4.85 -10.48 0.5 0
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4080 10713 1 Cl2O5N8C20H20 A2B5C8D20E20 -128.86 1.22 -9.11 -1.23 0
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4081 10718 1 NO4H11C14 AB4C11D14 -124.3 9.55 -9.65 -1.07 0
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4082 10719 2 C7H8 A7B8 45.3 1.51 -7.8 -0.51 0
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4083 10720 1 C9H14 A9B14 1.78 0.37 -8.72 1.59 0
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4084 10721 1 NH7C8 AB7C8 45.02 3.87 -9.85 -0.58 0
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4085 10723 1 OC10H12 AB10C12 -39.19 2.3 -9.36 0.22 0
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4086 10724 1 OC10H10 AB10C10 -25.44 3.88 -9.65 -0.45 0
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4087 10725 1 O7H14C17 A7B14C17 -202.76 9.74 -8.67 -1.45 0
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4088 10726 1 O3C9H10 A3B9C10 -111.72 5.25 -9.81 -0.05 0
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4089 10727 1 NOC10H13 ABC10D13 -32.45 3.84 -9.33 -0.07 0
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4090 10728 1 O4C11H12 A4B11C12 -154.22 1.68 -9.67 -0.62 0
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4091 10729 1 O2H5N5C6 A2B5C5D6 -15.61 8.49 -9.82 -1.29 0
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4092 10730 2 O2H4C5 A2B4C5 -115.23 6.98 -8.62 -1.28 0
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4093 10731 1 OH10C14 AB10C14 15.77 1.26 -8.13 -0.93 0
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4094 10733 1 ClNOC12H20 ABCD12E20 -76.37 4.38 -9.62 0.08 0
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4095 10738 1 ClN2C12H13 AB2C12D13 36.36 3.9 -8.96 -0.13 0
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4096 10742 1 O5C9H10 A5B9C10 -177.56 5.42 -9.09 -0.89 0
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4097 10751 1 O9C15H16 A9B15C16 -328.47 6.95 -9.27 -1.86 0
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4098 10754 2 ClNC6H7 ABC6D7 -30.72 4.75 -8.47 -0.17 0
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4099 10761 1 ClPSN4O4C12H18 ABCD4E4F12G18 -214.6 3.37 -8.24 -0.24 0
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4100 10765 1 NO2H7C8 AB2C7D8 14.23 5.44 -8.87 -0.88 0
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4101 10767 1 NO2C14H21 AB2C14D21 -80.98 1.19 -8.66 -0.49 0
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4102 10769 2 NOC7H11 ABC7D11 -85.21 3.03 -8.56 -0.18 0
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4103 10771 1 ClN4C12H13 AB4C12D13 52.02 3.81 -8.22 -0.82 0
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4104 10772 1 NO3H7C8 AB3C7D8 -85.49 6.37 -8.87 -0.52 0
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4105 10773 1 NNaO3H8C9 ABC3D8E9 -141.77 9.11 -9.22 0.13 0
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4106 10774 1 ON2H12C13 AB2C12D13 29.32 3.18 -8.86 -0.46 0
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4107 10775 1 NO4C11H15 AB4C11D15 -160.54 2.75 -8.82 0.25 0
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4108 10776 1 NO2C10H13 AB2C10D13 -47.57 1.6 -8.69 -0.02 0
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4109 10777 1 ClNOC8H8 ABCD8E8 -37.17 2.05 -9.01 -0.26 0
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4110 10778 1 O2C9H10 A2B9C10 -71.94 2.58 -9.16 0.08 0
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4111 10780 1 Cl2O3C10H10 A2B3C10D10 -118.4 4.3 -9.13 -0.59 0
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4112 10781 1 ClNO2C16H24 ABC2D16E24 -119.24 3.35 -8.81 -0.61 0
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4113 10782 1 NO2C16H23 AB2C16D23 -84.64 1.73 -8.53 -0.51 0
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4114 10783 1 ClNSC6H8 ABCD6E8 7.85 0.52 -9.48 -0.65 0
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4115 10784 1 IOH5C6 ABC5D6 -6.47 0.8 -9.24 -1.1 0
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4116 10785 2 OC3H5 AB3C5 -99.53 4.0 -10.17 0.21 0
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4117 10789 1 O2H6C7 A2B6C7 11.78 3.3 -9.56 -0.98 0
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4118 10790 1 O5C16H32 A5B16C32 -289.28 3.76 -10.08 0.57 0
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4119 10794 1 SN2C3H8 AB2C3D8 16.78 3.94 -9.09 0.1 0
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4120 10797 1 OC5H6 AB5C6 -18.49 0.88 -9.12 0.71 0
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4121 10798 2 NC2H4 AB2C4 12.44 2.72 -9.14 1.18 0
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4122 10799 1 AsN2O5C12H21 AB2C5D12E21 -197.28 7.26 -8.74 -0.28 0
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4123 10800 1 N2O5H6C7 A2B5C6D7 -42.16 4.78 -10.49 -2.08 0
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4124 10801 1 O4C7H12 A4B7C12 -200.02 4.58 -11.22 -0.48 0
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4125 10802 1 OBr2N4C14H20 AB2C4D14E20 -36.44 3.97 -8.04 -1.55 0
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4126 10803 1 ON4C14H19 AB4C14D19 3.05 2.14 0.0 0.0 1
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4127 10806 1 N2O3H14C17 A2B3C14D17 18.21 4.04 -9.3 -1.4 0
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4128 10807 1 ClO2C5H9 AB2C5D9 -114.5 1.32 -10.7 -0.12 0
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4129 10808 2 ClOC2H3 ABC2D3 -107.35 3.05 -10.91 -0.6 0
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4130 10809 1 AsNSNa2O6C7H8 ABCD2E6F7G8 -300.02 6.24 -7.58 0.53 0
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4131 10810 1 AsNSO6C7H10 ABCD6E7F10 -190.01 5.69 -8.75 -0.48 0
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4132 10811 2 OSN2C6H8 ABC2D6E8 -28.68 9.77 -8.94 -0.75 0
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4133 10812 2 C5H7 A5B7 -5.1 0.5 -9.05 0.57 0
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4134 10813 1 ClN3C7H10 AB3C7D10 24.7 5.49 -9.1 -0.3 0
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4135 10817 1 OC9H12 AB9C12 -40.44 1.75 -9.07 0.45 0
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4136 10819 1 OC10H16 AB10C16 -46.12 2.01 -9.59 0.99 0
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4137 10821 2 H3C4 A3B4 78.38 0.6 -9.38 -0.19 0
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4138 10823 1 NC7H9 AB7C9 20.1 2.74 -9.73 -0.03 0
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4139 10825 1 NSO4H13C14 ABC4D13E14 -117.49 6.01 -9.49 -0.67 0
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4141 10828 1 N3O3C23H25 A3B3C23D25 -25.09 4.53 -7.92 -0.2 0
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4142 10829 1 O7H16C17 A7B16C17 -269.23 11.43 -9.6 -0.86 0
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4144 10831 1 N3O4C22H27 A3B4C22D27 -139.54 2.38 -8.76 0.0 0
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4145 10834 1 NO2C15H19 AB2C15D19 -69.96 3.54 -8.92 -0.54 0
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4146 10841 1 N3C12H13 A3B12C13 48.12 1.55 -7.62 0.26 0
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4147 10842 2 NSO2H4C6 ABC2D4E6 42.65 7.57 -9.58 -2.08 0
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4148 10843 1 NOC9H11 ABC9D11 -38.33 2.9 -8.77 0.21 0
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4149 10844 1 AsClNO2C6H7 ABCD2E6F7 108.8 5.67 -7.4 -0.26 0
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4150 10845 1 AsNO2C6H6 ABC2D6E6 48.75 1.35 -8.47 -1.25 0
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4152 10859 1 NC17H33 AB17C33 -56.03 1.33 -8.5 2.9 0
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4153 10863 1 NO2C16H23 AB2C16D23 -66.42 3.28 -8.56 -0.82 0