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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