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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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170099 75197104 1 NSF3O3C15H16 ABC3D3E15F16 -242.81 5.57 -9.8 -1.0 0
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170100 75197188 1 SO2N3C10H13 AB2C3D10E13 0.43 3.13 -9.07 -2.07 0
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170101 75197189 1 ON6C13H16 AB6C13D16 73.6 3.25 -8.52 -0.04 0
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170102 75197568 1 SF3O4N6C18H29 AB3C4D6E18F29 -348.59 10.3 -9.39 -0.53 1
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170103 75197569 1 N3O4C18H18 A3B4C18D18 -78.99 3.21 0.0 0.0 0
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170104 75197570 1 S2N3O5H11C16 A2B3C5D11E16 -55.05 4.78 -9.5 -1.74 0
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170105 75197571 1 N3O3C14H15 A3B3C14D15 -69.15 6.89 -9.76 -0.94 0
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170106 75197572 1 N3O5C13H15 A3B5C13D15 -106.11 5.06 -10.09 -1.42 0
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170107 75197573 1 N3S3O5H17C18 A3B3C5D17E18 -140.3 8.33 -9.08 -1.89 0
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170108 75197574 1 FSO2N6C23H27 ABC2D6E23F27 0.9 5.11 -8.94 -0.75 0
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170109 75197575 1 FSO3N4C23H25 ABC3D4E23F25 -43.4 6.0 -8.93 -0.91 0
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170110 75197576 1 FN3O5H16C20 AB3C5D16E20 -54.42 5.66 -9.56 -1.69 0
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170111 75197577 1 N2O3F4H12C19 A2B3C4D12E19 -197.08 4.91 -10.06 -1.49 0
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170112 75197578 1 N2F3O4H15C20 A2B3C4D15E20 -190.48 8.39 -9.3 -1.23 0
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170113 75197750 1 SN4O4C21H22 AB4C4D21E22 -70.42 6.06 -9.11 -1.95 0
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170114 75198104 1 BrO3N4H21C22 AB3C4D21E22 14.74 8.02 -8.97 -1.07 1
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170115 75198279 1 N3O4C14H14 A3B4C14D14 -79.64 1.57 0.0 0.0 0
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170116 75198280 1 SN3O5C14H23 AB3C5D14E23 -179.85 4.4 -9.44 -0.69 0
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170117 75198281 1 SN2O3C20H24 AB2C3D20E24 -71.26 5.08 -8.96 -0.55 0
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170118 75198499 1 FNO3H18C19 ABC3D18E19 -98.55 4.45 -8.86 -0.64 0
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170119 75198864 1 SO2N3C25H29 AB2C3D25E29 -16.59 2.79 -8.96 -1.79 0
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170120 75198865 1 O2N3C15H19 A2B3C15D19 -34.08 1.43 -9.29 -0.06 0
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170121 75198866 1 S2F3N3O3H16C19 A2B3C3D3E16F19 -198.32 6.34 -9.11 -1.59 0
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170122 75199165 1 SN4O4C26H40 AB4C4D26E40 -165.35 8.62 -8.61 -0.28 0
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170123 75199454 1 O4N5C26H39 A4B5C26D39 -152.71 6.37 -9.44 -0.24 0