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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398703 135034927 1 O4H24C25 A4B24C25 -42.77 7.26 -9.24 -0.9 0
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398704 135034930 2 OH12C14 AB12C14 74.6 4.79 -9.04 -0.52 0
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398705 135034939 1 O2C27H30 A2B27C30 14.32 5.1 -8.95 -0.4 0
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398706 135034946 1 SO2N3C15H19 AB2C3D15E19 -42.5 2.53 -8.44 -0.54 0
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398707 135034953 1 ClON2H11C12 ABC2D11E12 -5.44 2.31 -8.51 -1.01 0
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398708 135034955 1 BrO4H15C16 AB4C15D16 -89.83 1.11 -8.86 -0.34 0
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398709 135034956 1 BO6C16H17 AB6C16D17 -246.24 2.76 -8.83 -0.24 -1
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398710 135034962 1 PdO2C6H11 AB2C6D11 -33.02 2.16 0.0 0.0 2
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398711 135034974 1 I2F3N4C37H45 A2B3C4D37E45 -36.37 21.7 -6.24 -3.25 0
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398712 135034979 1 N2O4C13H20 A2B4C13D20 -189.59 3.69 -9.58 -0.66 0
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398713 135034981 3 NC8H9 AB8C9 91.45 11.09 -8.43 -1.0 0
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398714 135034984 1 SO3N4C29H34 AB3C4D29E34 -81.62 1.69 -8.29 0.13 0
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398715 135035003 1 CuNC2O2H4 ABC2D2E4 -22.94 1.1 -7.98 0.44 0
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398716 135035015 1 ON2C20H22 AB2C20D22 21.36 4.85 -8.23 0.19 0
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398717 135035021 1 OC4H5N5 AB4C5D5 52.1 4.52 -9.98 -1.54 0
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398719 135035029 1 BrClO2H24C28 ABC2D24E28 7.49 2.63 -9.28 -0.75 0
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398720 135035040 4 OC5H6 AB5C6 -110.07 2.81 -8.77 -0.8 0
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398721 135035068 1 ClON2H9C11 ABC2D9E11 4.0 2.01 -8.57 -1.06 0
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398722 135035069 1 SO2H12C15 AB2C12D15 -24.7 5.87 -8.39 -1.49 0
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398723 135035075 1 O2N3C16H21 A2B3C16D21 -64.89 2.44 -9.0 -0.14 0
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398724 135035085 1 N2O2C19H28 A2B2C19D28 -75.96 2.49 -8.88 0.32 0
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398725 135035091 1 BrISO3H14C21 ABCD3E14F21 0.36 5.91 -9.76 -1.76 0
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398726 135035093 1 FISO3H14C21 ABCD3E14F21 -50.08 3.43 -9.81 -1.76 0
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398727 135035110 1 PN2O3C39H39 AB2C3D39E39 -12.34 4.81 -8.25 -0.55 0
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398728 135035113 1 PF3O3H16C21 AB3C3D16E21 -240.58 4.74 -9.86 -0.79 0
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398730 135035128 1 FN8O9C55H57 AB8C9D55E57 -306.98 4.44 -8.88 -0.68 0
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398731 135035133 1 O5C18H22 A5B18C22 -177.77 4.83 -8.48 -0.35 0
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398732 135035136 1 N3H7C11 A3B7C11 111.01 4.57 -9.26 -1.0 0
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398733 135035141 1 O8H22C25 A8B22C25 -196.73 5.75 -8.81 -0.47 0
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398734 135035144 2 O4H8C9 A4B8C9 -226.29 6.66 -8.78 -0.45 0
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398735 135035150 1 N3O3H13C16 A3B3C13D16 57.25 3.87 -9.45 -0.88 0
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398736 135035152 1 FN3O3H10C15 AB3C3D10E15 21.08 3.89 -9.85 -1.09 0
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398737 135035156 1 N3O3H13C16 A3B3C13D16 55.79 4.48 -9.66 -0.9 0
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398738 135035157 1 N3O3H13C16 A3B3C13D16 57.68 4.34 -9.57 -0.88 0
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398739 135035160 1 N3O3H15C17 A3B3C15D17 47.15 3.47 -9.4 -0.84 0
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398740 135035161 1 N3O3H13C19 A3B3C13D19 85.15 2.82 -9.24 -1.18 0
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398741 135035162 1 BrCl2N2H5C11 AB2C2D5E11 47.22 0.34 -9.04 -1.32 0
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398742 135035164 2 ON3H16C17 AB3C16D17 71.06 8.66 -9.12 -1.65 0
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398743 135035166 1 H4S10O15C42 A4B10C15D42 -256.8 6.64 -9.64 -3.24 0
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398744 135035178 1 ClO2N4H27C28 AB2C4D27E28 -4.62 10.11 -8.54 -0.66 0
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398745 135035182 1 ClN3O3H22C25 AB3C3D22E25 -42.39 7.97 -8.8 -1.44 0
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398746 135035185 1 O3N4H24C28 A3B4C24D28 57.08 1.36 -8.73 -0.75 0
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398747 135035186 1 FO2N4H21C27 AB2C4D21E27 50.19 3.23 -8.85 -0.89 0
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398749 135035201 1 O3C18H22 A3B18C22 -109.99 2.78 -9.48 -0.09 0
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398750 135035209 1 OC13H20 AB13C20 -39.44 2.5 -9.08 0.32 0
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398751 135035219 1 SN2O3C12H16 AB2C3D12E16 -114.07 4.94 -9.59 -0.41 0
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398752 135035220 1 N2S2F3O6C19H19 A2B2C3D6E19F19 -340.97 8.09 -9.29 -1.06 0
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398753 135035225 1 ClO2N4H21C27 AB2C4D21E27 88.31 3.45 -8.86 -0.91 0
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398754 135035229 1 O2N5H21C28 A2B5C21D28 129.95 5.65 -8.95 -1.02 0
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398755 135035238 1 ISN3O5C24H24 ABC3D5E24F24 -31.86 5.77 -9.53 -1.89 0