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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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449763 135301244 2 NOC5H9 ABC5D9 -70.24 4.8 -8.75 -0.03 0
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449764 135301254 1 NO5C22H29 AB5C22D29 -193.65 3.32 -8.99 -0.07 0
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449765 135301275 1 N6O7C42H60 A6B7C42D60 -307.29 5.43 -8.98 0.26 0
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449766 135301279 1 O2F3N6H19C31 A2B3C6D19E31 47.25 8.13 -9.11 -1.5 0
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449767 135301280 2 O3N5C23H34 A3B5C23D34 -229.74 8.55 -8.97 -1.48 0
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449768 135301284 1 NSO7C20H31 ABC7D20E31 -318.46 6.41 -9.08 -0.55 0
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449769 135301286 1 N3O6C32H57 A3B6C32D57 -330.55 3.05 -8.78 0.71 0
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449770 135301295 2 NO4C12H18 AB4C12D18 -345.78 5.32 -8.8 -0.95 0
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449771 135301299 1 N8C23H26 A8B23C26 119.41 3.42 -8.66 -0.91 0
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449772 135301310 1 NO3C13H23 AB3C13D23 -137.67 3.97 -9.61 0.31 0
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449773 135301325 2 FO3N4C25H34 AB3C4D25E34 -342.85 1.41 -8.86 -0.63 0
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449774 135301326 1 O2F4N5H15C24 A2B4C5D15E24 -73.51 9.92 -10.22 -1.56 0
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449775 135301329 1 OF2H10C11 AB2C10D11 -87.15 2.94 -9.6 -0.73 0
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449776 135301331 4 NC6H9 AB6C9 53.84 2.06 -8.19 0.12 0
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449777 135301342 1 N3O8C21H35 A3B8C21D35 -377.58 2.84 -9.78 -0.79 1
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449778 135301379 1 N4O4C15H27 A4B4C15D27 -152.41 1.88 0.0 0.0 0
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449779 135301383 1 N3O4C11H19 A3B4C11D19 -160.37 7.34 -9.73 -0.33 0
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449780 135301396 1 OC11H18 AB11C18 -49.26 2.43 -9.25 0.59 0
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449781 135301401 1 PN2O4C23H27 AB2C4D23E27 -77.95 7.39 -7.75 -1.1 0
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449782 135301402 1 N2C17H24 A2B17C24 40.85 2.14 -7.99 0.53 0
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449783 135301433 1 N2O2H16C17 A2B2C16D17 -7.93 2.87 -8.55 -0.44 0
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449784 135301440 1 ClO2N7C26H32 AB2C7D26E32 1.84 4.47 -8.9 -0.33 0
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449786 135301460 1 NO2C24H25 AB2C24D25 -53.11 4.4 -9.05 -0.74 0
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449787 135301467 1 NH21C28 AB21C28 186.43 4.27 -7.54 -1.13 0
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449788 135301487 1 N2H8C15 A2B8C15 270.04 2.68 -8.4 -1.71 0