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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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427110 135155543 1 SO2N3C23H33 AB2C3D23E33 -52.24 2.95 -7.86 -0.19 -1
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427111 135155546 1 ClSF2N3O5H35C36 ABC2D3E5F35G36 -232.42 9.83 0.0 0.0 0
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427112 135155547 1 ClSF2N3O5C36H36 ABC2D3E5F36G36 -248.29 8.8 -8.76 -0.81 0
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427113 135155549 1 O2N3C26H39 A2B3C26D39 -83.62 1.26 -7.93 -0.26 0
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427114 135155551 1 NO4C16H21 AB4C16D21 -152.27 4.05 -8.76 0.24 0
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427115 135155553 2 ON2C10H14 AB2C10D14 -38.26 4.17 -7.88 -0.11 0
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427116 135155554 1 NO3C8H13 AB3C8D13 -158.81 6.9 -10.54 0.32 0
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427117 135155560 1 N3O3C23H31 A3B3C23D31 -66.6 2.95 -8.03 -0.34 0
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427118 135155571 1 N3O4C25H35 A3B4C25D35 -144.89 2.78 -8.04 -0.51 0
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427119 135155578 1 F3N4O4C26H37 A3B4C4D26E37 -311.83 4.62 -8.16 -0.27 0
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427120 135155586 1 ClO2N5C28H28 AB2C5D28E28 9.17 5.13 -9.5 -0.64 0
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427121 135155589 1 O2N3C28H35 A2B3C28D35 -27.74 1.7 -7.82 -0.16 0
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427122 135155590 1 F3N3O4C30H34 A3B3C4D30E34 -256.58 2.95 -8.02 -0.75 0
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427123 135155591 1 ClO2N5H24C30 AB2C5D24E30 58.43 5.44 -9.56 -0.75 0
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427124 135155592 1 ClN2O2C20H27 AB2C2D20E27 -62.11 4.6 -8.46 -0.62 0
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427125 135155593 1 FO2N6C28H29 AB2C6D28E29 -19.83 4.16 -9.46 -0.98 0
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427126 135155594 1 O2F3N6C34H39 A2B3C6D34E39 -159.99 4.35 -9.58 -1.12 0
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427127 135155595 1 O2F3N6C34H39 A2B3C6D34E39 -159.63 8.84 -9.52 -0.98 0
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427128 135155596 1 N3O5C25H33 A3B5C25D33 -169.79 2.59 -7.98 -0.53 0
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427129 135155627 1 ClO2N5C31H34 AB2C5D31E34 -0.59 3.09 -8.99 -0.51 0
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427130 135155628 1 O2N7C27H29 A2B7C27D29 33.75 2.95 -9.52 -0.94 0
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427131 135155640 1 BrFO2N4H24C31 ABC2D4E24F31 9.03 1.99 -9.25 -0.49 0
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427132 135155653 1 BrSF2N3O4C30H34 ABC2D3E4F30G34 -211.05 6.89 -9.21 -1.02 0
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427133 135155669 1 O2N6H28C31 A2B6C28D31 77.85 3.03 -8.71 -1.21 0
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427134 135155670 1 F3O3N5H26C29 A3B3C5D26E29 -171.42 5.7 -9.36 -1.04 0
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427135 135155671 1 ClN2O4C22H29 AB2C4D22E29 -140.01 6.62 -8.89 -1.1 0
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427136 135155674 2 FO2N3H13C14 AB2C3D13E14 -146.78 6.63 -9.6 -1.09 0
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427137 135155680 1 O2F3N7H28C30 A2B3C7D28E30 -95.1 6.53 -9.57 -1.58 0
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427138 135155681 1 ON6F10H24C29 AB6C10D24E29 -457.44 12.32 -9.7 -1.65 0
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427139 135155683 1 O2N7C29H33 A2B7C29D33 22.75 3.58 -9.05 -0.5 0
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427140 135155685 1 O3N6C30H32 A3B6C30D32 -13.24 4.08 -9.24 -0.5 0
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427141 135155690 1 ClN2O3C19H23 AB2C3D19E23 -79.73 6.06 -8.73 -0.92 0
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427142 135155693 1 FO2N6H23C29 AB2C6D23E29 33.32 4.41 -9.35 -0.95 0
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427143 135155705 1 ON3F4C13H13 AB3C4D13E13 -209.08 7.73 -9.88 -0.86 0
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427144 135155710 1 SO4F7N8H31C34 AB4C7D8E31F34 -381.13 10.54 -9.4 -1.28 0
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427145 135155716 1 O2N3C27H33 A2B3C27D33 -28.53 2.77 -8.09 -0.32 0
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427146 135155722 1 F2N4O5C32H32 A2B4C5D32E32 -265.89 4.29 -8.49 -0.93 0
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427147 135155723 1 O3N5F7C28H28 A3B5C7D28E28 -439.23 5.44 -9.61 -1.45 0
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427148 135155725 1 F3O3N6H27C29 A3B3C6D27E29 -156.08 6.76 -9.76 -1.04 0
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427149 135155726 1 F2O2N5H23C30 A2B2C5D23E30 -30.63 6.04 -9.47 -0.85 0
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427150 135155729 1 N3O5C21H27 A3B5C21D27 -153.9 1.83 -8.27 -0.86 0
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427151 135155734 1 O2N7H23C28 A2B7C23D28 90.06 4.91 -9.37 -0.92 0
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427152 135155740 1 O2F3N6C33H37 A2B3C6D33E37 -155.86 8.81 -9.3 -0.95 0
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427153 135155743 1 ON4H32C33 AB4C32D33 82.52 5.41 -9.08 -0.28 0
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427154 135155744 1 ClO3N5H24C27 AB3C5D24E27 -19.74 2.59 -9.35 -0.79 0
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427155 135155745 1 PN5O11C14H20 AB5C11D14E20 -464.42 1.42 -8.69 -0.77 0
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427156 135155746 1 N3O5C27H33 A3B5C27D33 -176.72 4.63 -9.57 -0.49 0
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427157 135155766 1 O2F7N9H36C38 A2B7C9D36E38 -296.66 5.57 -8.46 -1.36 0
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427158 135155768 1 FO2N6H23C29 AB2C6D23E29 34.65 3.18 -9.46 -0.88 0
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427159 135155769 1 O2N4H26C31 A2B4C26D31 54.24 6.87 -8.61 -0.46 0