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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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81700 49855027 1 Cl2N3O6C27H31 A2B3C6D27E31 -229.09 9.67 -8.6 -0.47 0
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81701 49855028 1 Cl2N3O6C30H37 A2B3C6D30E37 -239.48 7.12 -8.81 -0.46 0
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81702 49855029 1 Cl2N3O6C34H45 A2B3C6D34E45 -259.65 4.91 -8.45 -0.17 0
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81703 49855030 1 Cl2N4O4C27H34 A2B4C4D27E34 -145.77 5.1 -8.58 -0.34 0
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81704 49855031 1 Cl2N4O4C31H42 A2B4C4D31E42 -168.63 6.69 -8.6 -0.48 0
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81705 49855032 1 Cl2N4O4C39H56 A2B4C4D39E56 -188.29 5.72 -8.49 -0.7 0
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81706 49855033 1 Cl2N4O4C51H80 A2B4C4D51E80 -241.54 8.01 -8.71 -0.83 0
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81707 49855034 1 Cl2N3O4C46H69 A2B3C4D46E69 -223.99 6.69 -8.71 -0.72 0
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81708 49855035 2 ClN2C12H13 AB2C12D13 32.86 7.57 -7.89 -0.8 0
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81709 49855036 1 OS2N9C27H31 AB2C9D27E31 86.91 5.85 -8.59 -0.64 0
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81710 49855037 1 OS2N9C22H29 AB2C9D22E29 46.5 3.26 -8.72 -0.6 0
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81711 49855038 1 OS2N9C26H29 AB2C9D26E29 93.92 5.44 -8.63 -0.7 0
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81712 49855039 1 OS2N9C23H31 AB2C9D23E31 45.18 10.99 -8.37 -0.61 0
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81713 49855040 1 OSN10C21H28 ABC10D21E28 55.16 8.48 -8.54 -0.46 0
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81714 49855041 1 BrSN4O4H21C28 ABC4D4E21F28 -25.29 6.62 -9.13 -1.45 0
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81715 49855042 1 BrSF3O3N4H18C27 ABC3D3E4F18G27 -146.64 6.22 -9.2 -1.47 0
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81716 49855043 1 BrSN4O4H21C27 ABC4D4E21F27 -24.58 1.52 -9.07 -1.19 0
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81717 49855044 1 SBr2O3N4H18C26 AB2C3D4E18F26 18.52 3.24 -9.14 -1.32 0
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81718 49855045 1 BrSF2O3N4H17C26 ABC2D3E4F17G26 -76.22 6.43 -9.24 -1.57 0
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81719 49855046 1 ON3C25H25 AB3C25D25 69.27 5.22 -8.39 -0.5 0
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81720 49855049 1 ClON3H22C24 ABC3D22E24 68.5 4.9 -8.48 -0.74 0
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81721 49855052 1 SN5O5C27H35 AB5C5D27E35 -98.3 5.85 -8.85 -0.89 0
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81722 49855053 1 SN5O5C28H35 AB5C5D28E35 -89.48 4.38 -9.04 -0.53 0
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81723 49855054 1 SN4O5C24H30 AB4C5D24E30 -119.05 12.19 -8.83 -0.5 0
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81724 49855055 1 SN3O7C25H31 AB3C7D25E31 -191.0 6.23 -9.06 -0.66 0
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81725 49855056 1 SN4O5C23H26 AB4C5D23E26 -81.15 8.21 -9.47 -1.12 0
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81726 49855057 1 ON3H11C16 AB3C11D16 74.86 5.3 -8.64 -0.97 0
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81727 49855058 1 ON3H13C19 AB3C13D19 100.59 6.85 -8.55 -0.74 0
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81728 49855059 1 ON3H15C18 AB3C15D18 71.1 7.61 -8.37 -0.59 0
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81729 49855061 1 ON4H16C20 AB4C16D20 96.01 7.73 -8.65 -0.9 0
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81730 49855062 1 ON3H15C18 AB3C15D18 70.17 6.45 -8.42 -0.3 0
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81731 49855064 1 ON2C17H24 AB2C17D24 -2.6 2.79 -8.01 0.5 0
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81732 49855065 1 ON2C19H28 AB2C19D28 -8.81 2.22 -7.93 0.57 0
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81733 49855066 1 ON2C20H30 AB2C20D30 -16.58 1.85 -8.01 0.56 0
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81734 49855067 1 N2O2C19H28 A2B2C19D28 -44.74 1.21 -8.23 0.34 0
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81735 49855070 1 OCl2N2C24H28 AB2C2D24E28 2.71 6.96 -8.1 -0.27 0
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81736 49855071 2 NSO4C16H26 ABC4D16E26 -412.57 2.04 -8.74 -0.78 0
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81737 49855072 1 Cl2N2O4C21H36 A2B2C4D21E36 -239.22 6.63 -9.24 -0.04 0
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81738 49855073 1 NO6C21H31 AB6C21D31 -275.76 4.92 -10.22 -0.68 0
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81739 49855074 1 NO6C21H31 AB6C21D31 -277.41 6.28 -10.2 -0.5 0
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81740 49855075 1 NO5C20H31 AB5C20D31 -233.19 6.7 -10.09 -0.24 0
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81741 49855076 1 SN2H16C18 AB2C16D18 71.16 2.68 -8.01 -0.39 0
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81742 49855077 1 FOSN2H25C28 ABCD2E25F28 6.06 4.98 -8.02 -0.64 0
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81743 49855079 1 ON2H18C19 AB2C18D19 34.44 3.22 -7.99 -0.41 0
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81744 49855081 1 N4O5C18H18 A4B5C18D18 -87.24 9.24 -8.5 -0.45 0
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81745 49855082 1 O2N5C23H25 A2B5C23D25 9.55 5.97 -9.15 -1.08 0
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81746 49855085 1 ClFSO4N5C19H19 ABCD4E5F19G19 -123.83 8.32 -8.34 -0.55 0
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81747 49855087 1 ClFSO3N5C19H19 ABCD3E5F19G19 -93.83 3.92 -8.84 -0.63 0
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81748 49855088 1 ClSF2O4N5H18C19 ABC2D4E5F18G19 -164.31 3.53 -8.9 -1.1 0
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81749 49855090 1 FSN6O9C26H39 ABC6D9E26F39 -360.38 7.05 -9.69 -1.53 0
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81750 49855091 1 SO2N5C21H27 AB2C5D21E27 -33.88 5.11 -9.01 -0.87 0
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81751 49855093 1 SO3N6C22H28 AB3C6D22E28 -73.72 1.62 -9.25 -1.07 0
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81752 49855098 1 SO4N5C28H31 AB4C5D28E31 -44.98 6.55 -8.91 -0.93 0
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81753 49855100 1 FSO4N5H18C23 ABC4D5E18F23 -54.22 8.0 -8.94 -1.55 0
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81754 49855101 1 SF3O5C23H27 AB3C5D23E27 -355.79 2.38 -9.04 -0.72 0
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81755 49855102 1 NSO4C25H31 ABC4D25E31 -133.96 4.03 -8.78 -0.54 0
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81756 49855103 1 SO5C25H34 AB5C25D34 -207.91 1.6 -8.36 -0.11 0
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81757 49855105 1 SCl2O4C22H26 AB2C4D22E26 -167.48 4.02 -8.74 -0.52 0
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81758 49855108 1 SN2O2C23H30 AB2C2D23E30 -29.57 3.68 -8.52 -0.92 0
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81759 49855109 1 ClO2S3N5C17H18 AB2C3D5E17F18 22.38 7.1 -8.62 -1.16 0
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81760 49855110 1 O2S2N5C22H25 A2B2C5D22E25 22.56 5.24 -8.78 -0.79 0
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81761 49855113 1 N3O3C19H21 A3B3C19D21 -10.65 5.36 -8.24 -1.25 0
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81762 49855114 1 ON2C24H24 AB2C24D24 22.27 3.77 -8.11 -0.01 0
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81763 49855115 1 ClOSF3N4H8C14 ABCD3E4F8G14 -113.61 8.44 -9.42 -1.34 0
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81764 49855116 1 ClOSN2F3H12C15 ABCD2E3F12G15 -159.76 2.67 -8.8 -1.4 0
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81765 49855117 1 SF2N3O4H23C24 AB2C3D4E23F24 -163.21 4.98 -8.4 -1.16 0
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81766 49855120 1 SN4O5C28H28 AB4C5D28E28 -81.64 4.25 -8.05 -1.43 0
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81767 49855122 1 Cl2N4O4C33H46 A2B4C4D33E46 -180.8 7.18 -8.55 -0.26 0
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81768 49855124 1 Cl2N3O4C28H35 A2B3C4D28E35 -160.98 8.05 -8.42 -0.22 0
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81769 49855125 1 Cl2N3O4C30H37 A2B3C4D30E37 -157.74 7.43 -8.71 -0.56 0
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81770 49855126 1 Cl2N3O4C29H35 A2B3C4D29E35 -147.62 5.04 -8.46 -0.28 0
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81771 49855127 1 ON3H15C20 AB3C15D20 41.88 1.79 -8.4 -0.48 0
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81772 49855128 1 N2H14C19 A2B14C19 101.76 1.66 -7.87 -0.31 0
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81773 49855129 1 NO8C27H33 AB8C27D33 -333.44 5.66 -9.78 -1.44 0
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81774 49855130 1 NO7C25H31 AB7C25D31 -286.05 4.3 -9.83 -1.44 0
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81775 49855131 1 ON3C14H27 AB3C14D27 -66.6 4.99 -8.82 1.31 0
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81776 49855132 1 ON3C15H29 AB3C15D29 -76.42 2.67 -8.71 1.25 0
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81777 49855137 1 FON9C22H22 ABC9D22E22 40.79 4.89 -8.44 -0.8 0
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81778 49855141 1 ClSO3N4H21C27 ABC3D4E21F27 -7.38 2.11 -9.03 -1.2 0
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81779 49855144 2 ON2C12H12 AB2C12D12 77.75 7.32 -8.64 -0.44 0
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81780 49855146 2 ON2C10H11 AB2C10D11 67.52 8.09 -8.62 -0.38 0
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81781 49855147 2 ON2H8C9 AB2C8D9 42.44 3.6 -9.06 -1.21 0
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81782 49855148 1 O2N5H21C25 A2B5C21D25 115.53 5.27 -9.26 -1.1 0
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81783 49855149 3 NOC6H7 ABC6D7 -47.72 7.27 -8.61 -0.49 0
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81784 49855152 1 N2O3H18C20 A2B3C18D20 -42.09 1.9 -8.5 -1.87 0
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81785 49855155 1 ClN2O3H17C20 AB2C3D17E20 -49.61 3.28 -8.83 -1.85 0
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81786 49855156 1 N3O3H21C25 A3B3C21D25 28.23 4.06 -8.48 -1.04 0
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81787 49855157 1 BrN3H10C16 AB3C10D16 122.68 6.96 -9.0 -0.89 0
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81788 49855158 1 N4H10C15 A4B10C15 131.22 3.98 -9.2 -0.92 0
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81789 49855159 4 NH3C4 AB3C4 118.32 5.53 -8.22 -0.61 0
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81790 49855161 1 O2N3H11C17 A2B3C11D17 105.16 8.73 -8.91 -1.39 0
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81791 49855162 1 N3O3H13C18 A3B3C13D18 66.44 8.88 -8.59 -1.37 0
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81792 49855164 1 ON2C28H32 AB2C28D32 35.98 5.17 -8.03 -0.06 0
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81793 49855165 1 O3N4C16H18 A3B4C16D18 -68.68 6.83 -9.39 -0.54 0
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81794 49855167 1 ClO3N4C16H17 AB3C4D16E17 -78.38 5.92 -9.39 -0.81 0
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81795 49855169 1 F2O3N4C16H16 A2B3C4D16E16 -162.26 6.12 -9.36 -1.01 0
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81796 49855170 1 N4O4C17H20 A4B4C17D20 -107.41 6.57 -8.97 -0.45 0
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81797 49855171 1 NO2F4H23C26 AB2C4D23E26 -219.78 8.44 -9.3 -0.86 0
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81798 49855172 1 NO3F5H24C27 AB3C5D24E27 -304.18 5.28 -9.24 -0.91 0
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81799 49855173 1 ClOF3N5H19C24 ABC3D5E19F24 -52.45 7.98 -8.27 -1.29 1