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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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163097 57639446 1 O2F3N6C22H25 A2B3C6D22E25 -158.64 2.82 -8.48 -0.9 0
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163098 57639702 1 ClON3C18H20 ABC3D18E20 46.87 4.71 -8.86 -0.63 0
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163099 57640984 1 SiO7C25H46 AB7C25D46 -377.48 2.74 -9.0 0.1 0
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163100 57641243 1 SCl2O3N4C21H24 AB2C3D4E21F24 -98.68 5.57 -9.56 -0.84 0
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163101 57641279 1 Cl2O3N5H15C18 A2B3C5D15E18 -17.06 2.97 -9.69 -1.19 0
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163102 57641310 1 Cl2N3O5C29H29 A2B3C5D29E29 -179.31 2.77 -9.54 -1.12 0
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163103 57641322 1 Cl2N2O3H16C22 A2B2C3D16E22 -60.72 3.02 -8.89 -1.32 0
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163104 57641343 1 N3O3C22H25 A3B3C22D25 -42.86 4.41 -8.78 -0.41 0
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163105 57641417 1 NO2H23C35 AB2C23D35 73.65 4.39 -8.01 -1.33 0
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163106 57641423 1 N2O4H64C83 A2B4C64D83 116.05 10.79 -8.07 -1.27 0
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163107 57641437 1 OC8H14 AB8C14 -55.11 1.54 -8.87 1.37 0
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163108 57641454 1 NS2O8C12H17 AB2C8D12E17 -245.14 0.5 -9.25 -1.48 0
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163109 57641459 1 NSO9C13H19 ABC9D13E19 -277.11 5.44 -9.37 -1.36 -1
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163111 57641560 1 O20C61H74 A20B61C74 -721.17 10.55 -8.09 -0.85 0
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163112 57641687 1 SiN3O4C24H41 AB3C4D24E41 -184.28 1.05 -8.75 -1.06 0
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163114 57642287 1 N5O5C33H41 A5B5C33D41 -163.26 6.5 -8.65 -0.66 0
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163115 57643836 2 O2C10H15 A2B10C15 -200.51 2.61 -9.96 -0.49 0
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163116 57643941 2 ClN2O2H9C16 AB2C2D9E16 24.49 5.69 -8.87 -2.45 0
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163117 57643966 1 SN2O4C18H24 AB2C4D18E24 -136.4 5.41 -9.24 -0.78 0
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163118 57643968 1 SN3O3C20H23 AB3C3D20E23 -39.15 2.7 -8.81 -0.26 0
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163119 57643971 1 SO4N5H21C22 AB4C5D21E22 -1.12 3.45 -9.34 -0.78 0
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163121 57646365 1 N3O5C26H31 A3B5C26D31 -72.66 8.74 -6.88 -1.52 0
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163123 57646407 1 NSO6C10H19 ABC6D10E19 -289.47 2.98 -10.44 -0.03 0
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163125 57646420 1 O5N8C30H46 A5B8C30D46 -217.61 11.51 -8.93 -0.46 0
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163134 57646478 1 SO2C14H20 AB2C14D20 -91.81 2.95 -8.78 -0.66 0
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163135 57646527 1 ClFN2O4H12C15 ABC2D4E12F15 -180.36 8.94 -9.69 -1.59 0
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163136 57646544 1 SN2O5H6C8 AB2C5D6E8 -148.01 7.78 -9.4 -1.99 0
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163137 57646545 1 FO6H11C17 AB6C11D17 -250.41 5.66 -10.18 -1.83 0
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163139 57646549 1 ClN2S2O6H17C26 AB2C2D6E17F26 -112.17 10.71 -9.37 -1.84 0
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163140 57646551 1 FSN3O5H12C15 ABC3D5E12F15 -173.74 7.34 -9.24 -1.67 0
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163141 57646559 1 O2N7H11C15 A2B7C11D15 124.76 2.08 -9.5 -2.05 0
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163142 57646561 1 NO4H13C15 AB4C13D15 -129.33 9.74 -9.93 -1.27 0
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163145 57646598 1 ClN2S2O6H15C26 AB2C2D6E15F26 -91.28 10.35 -9.58 -2.03 0
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163146 57646603 1 FNO4H10C16 ABC4D10E16 -135.02 5.43 -9.84 -1.87 0
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163147 57646605 1 SN2O5H14C16 AB2C5D14E16 -131.94 7.16 -9.88 -1.88 0
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163148 57646607 1 NO5C21H21 AB5C21D21 -173.35 11.73 -9.04 -1.43 0
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163149 57646611 1 FNO4H12C17 ABC4D12E17 -158.99 8.2 -9.24 -1.27 -2
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163150 57646612 1 NYO4H11C13 ABC4D11E13 -55.63 4.53 0.0 0.0 0
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163151 57646615 1 ClS2N4O5H25C30 AB2C4D5E25F30 -73.21 12.04 -8.81 -1.23 0
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163152 57646617 1 FSN2O5H15C17 ABC2D5E15F17 -195.72 7.65 -9.09 -1.55 0
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163153 57646618 1 NF3O4H12C16 AB3C4D12E16 -291.46 6.48 -10.1 -1.44 0
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163154 57646620 1 ClN2S2O5H23C33 AB2C2D5E23F33 -48.54 13.66 -9.21 -1.46 0
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163155 57646622 1 ClFO3N6H14C19 ABC3D6E14F19 3.7 5.61 -9.34 -1.62 0
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163158 57646638 1 FNO4H20C21 ABC4D20E21 -184.58 10.65 -9.49 -1.55 0
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163159 57646640 1 ClS2N3O7H18C26 AB2C3D7E18F26 -156.63 11.39 -9.18 -1.34 0
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163160 57646645 1 N2O5H14C15 A2B5C14D15 -163.21 6.99 -8.85 -1.61 0
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163161 57646648 1 ClNO4H12C15 ABC4D12E15 -139.18 8.15 -9.89 -1.38 0
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163162 57646657 1 FO4H11C17 AB4C11D17 -149.58 8.48 -9.8 -1.54 0
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163163 57646663 1 O3N4H16C24 A3B4C16D24 70.43 5.52 -9.02 -1.75 0
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163164 57646678 1 ClO3N4H15C24 AB3C4D15E24 61.83 6.53 -9.07 -1.82 0