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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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173160 75604995 2 ClNO2H15C16 ABC2D15E16 -110.34 10.73 -8.55 -0.76 0
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173161 75604996 1 BrON6C14H19 ABC6D14E19 0.18 2.14 -8.54 -0.09 0
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173162 75604997 1 OBr2N6C14H20 AB2C6D14E20 -46.23 2.68 -8.57 -0.19 0
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173164 75604999 1 ClF2N6C29H31 AB2C6D29E31 31.87 6.58 -8.93 -0.77 0
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173165 75605038 4 OC6H8 AB6C8 -85.61 4.8 -9.1 -0.26 1
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173166 75605088 1 ClON5C27H41 ABC5D27E41 43.03 9.56 0.0 0.0 0
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173167 75605089 1 O2N5C27H41 A2B5C27D41 7.22 17.17 -8.4 -0.68 0
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173168 75605385 1 SO3N4C17H20 AB3C4D17E20 -61.68 2.41 -9.44 -0.76 0
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173169 75605447 1 F2O2N3H17C20 A2B2C3D17E20 -90.34 3.41 -8.48 -1.58 0
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173170 75605448 1 SO3N4C22H24 AB3C4D22E24 -26.1 4.96 -8.52 -0.7 0
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173171 75605449 1 SO2N5C23H25 AB2C5D23E25 -0.13 7.6 -9.38 -0.64 0
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173172 75605778 1 ClON3H20C21 ABC3D20E21 27.9 1.91 -8.86 -0.48 0
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173173 75605800 2 ON2H10C11 AB2C10D11 13.98 2.31 -8.7 -0.71 0
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173174 75605801 1 FON3H20C21 ABC3D20E21 -5.42 1.86 -8.89 -0.52 0
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173175 75606449 1 O4N5C20H21 A4B5C20D21 -38.39 6.05 -8.82 -1.95 0
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173176 75606450 1 SO2N3C18H23 AB2C3D18E23 -39.17 8.47 -9.03 -0.44 0
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173177 75606653 1 ClON6C20H29 ABC6D20E29 -16.25 2.92 -8.28 -0.33 0
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173178 75606654 1 ClON6C22H25 ABC6D22E25 34.71 4.44 -8.3 -0.36 0
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173179 75607406 1 N2O7C13H14 A2B7C13D14 -250.94 2.06 -10.38 -1.43 0
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173180 75607780 1 O2N3C17H23 A2B3C17D23 -87.43 6.15 -9.86 -0.13 0
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173181 75607781 1 SN2O3H16C17 AB2C3D16E17 -40.04 6.09 -9.56 -1.32 0
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173182 75607884 1 F3N4O5C18H19 A3B4C5D18E19 -347.56 3.0 -9.74 -0.84 0
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173183 75608000 4 NOC6H8 ABC6D8 -146.6 4.38 -8.66 -0.64 0
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173184 75608077 1 N7O21C39H51 A7B21C39D51 -582.95 5.79 -9.55 -1.82 0
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173185 75608078 1 N4O18C33H48 A4B18C33D48 -655.16 12.91 -9.22 -1.25 0