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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162597 57395171 1 SN26O30C85H148 AB26C30D85E148 -1489.75 2.76 -8.8 -0.3 0
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162601 57410659 1 OF2N4H26C27 AB2C4D26E27 -59.09 5.16 -9.25 -0.95 0
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162602 57410663 1 FN3O4C32H32 AB3C4D32E32 -126.62 6.25 -8.79 -1.17 0
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162603 57410682 1 NO5C17H25 AB5C17D25 -245.68 2.09 -9.16 0.01 -1
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162604 57410685 1 ClRhO4C16H24 ABC4D16E24 122.83 9.79 -9.45 -5.32 0
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162605 57410691 1 SO3N4C25H28 AB3C4D25E28 -28.44 4.73 -8.72 -1.58 0
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162606 57410694 1 FSO2N6C28H31 ABC2D6E28F31 -1.77 4.35 -8.73 -0.44 0
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162608 57410719 1 O2N3C35H35 A2B3C35D35 -8.48 4.23 -8.57 -1.41 0
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162611 57410728 1 FON3H18C19 ABC3D18E19 -21.42 5.89 -8.8 -0.84 0
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162612 57410733 1 ClO2N4C21H25 AB2C4D21E25 -49.68 8.59 -8.51 -0.57 0
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162618 57410756 1 ON6C30H30 AB6C30D30 132.28 5.36 -8.44 -0.91 0
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162619 57410765 1 N2O4C21H24 A2B4C21D24 -76.62 4.97 -8.18 -0.21 0
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162620 57410773 1 N2O3H14C18 A2B3C14D18 -11.95 2.81 -9.4 -1.53 0
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162621 57410785 1 O2N7H29C30 A2B7C29D30 68.05 6.69 -8.54 -0.78 0
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162622 57410789 2 ON3C14H14 AB3C14D14 36.62 6.8 -8.73 -0.92 0
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162624 57410796 1 O6N8C43H50 A6B8C43D50 -177.29 2.69 -8.58 -0.51 0
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162625 57410820 1 SF2O2N6C20H28 AB2C2D6E20F28 -126.19 3.89 -8.7 -0.45 0
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162627 57410827 1 N3O4C20H21 A3B4C20D21 -113.39 5.41 -9.03 -0.49 0
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162628 57410830 2 N2O2C10H11 A2B2C10D11 -106.53 6.78 -8.85 -0.71 0
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162631 57410848 1 FO2N3H18C20 AB2C3D18E20 -53.72 4.68 -8.99 -1.2 0
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162632 57410849 1 ON4H16C20 AB4C16D20 79.76 2.86 -8.66 -0.88 0
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162633 57410855 1 F3N3O3C23H24 A3B3C3D23E24 -231.26 8.31 -9.06 -1.09 0
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162634 57410856 1 F3N3O3H20C21 A3B3C3D20E21 -219.72 7.74 -9.06 -1.06 0
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162638 57410881 1 ClFN3C22H23 ABC3D22E23 5.8 5.33 -8.18 -0.74 0
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162640 57410889 2 NO2C11H13 AB2C11D13 -125.97 2.75 -7.99 0.2 0
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162641 57410890 1 SN2O2H16C19 AB2C2D16E19 32.41 7.15 -9.6 -1.97 0
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162642 57410892 1 O5C14H16 A5B14C16 -191.29 3.48 -9.52 -0.45 0
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162643 57410895 1 ClO5H13C17 AB5C13D17 -145.23 2.36 -9.33 -0.77 0
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162644 57410899 1 SO4C24H34 AB4C24D34 -150.84 4.7 -8.71 -1.56 0
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162646 57410903 1 NO4C15H17 AB4C15D17 -110.01 4.04 -8.59 -1.29 0
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162647 57410905 1 NO4C19H25 AB4C19D25 -129.82 4.03 -8.58 -1.28 0
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162648 57410906 1 SO2C16H18 AB2C16D18 -48.42 3.02 -8.92 -1.87 0
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162651 57410922 1 F2N2O2H18C21 A2B2C2D18E21 -102.65 3.19 -9.25 -1.15 0
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162655 57410963 1 NF2O7C10H17 AB2C7D10E17 -419.29 1.62 -10.28 -0.08 0
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162656 57410964 1 ClNF2O7C10H18 ABC2D7E10F18 -459.64 4.55 -10.61 0.33 0
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162660 57417361 2 N4C9 A4B9 344.91 0.01 -11.39 -3.92 0
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162661 57417362 2 N5C12 A5B12 454.02 0.01 -10.96 -4.36 0
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162662 57417368 1 ClOC7H12 ABC7D12 -38.75 2.91 0.0 0.0 -1
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162664 57551346 1 FON3H26C28 ABC3D26E28 -9.91 4.41 -8.2 -0.67 0
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162666 57551353 1 FO2N3H24C27 AB2C3D24E27 -56.19 0.76 -8.3 -0.7 0
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162667 57551364 1 FON2H25C27 ABC2D25E27 -13.26 4.01 -8.23 -0.73 0
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162668 57551368 1 FOSN2H19C21 ABCD2E19F21 -30.11 3.8 -8.29 -0.73 0
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162670 57551385 1 FO3N4C25H27 AB3C4D25E27 -108.27 7.34 -8.25 -0.53 0
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162671 57551386 1 FN2O4H27C28 AB2C4D27E28 -150.07 2.0 -8.2 -0.72 0
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162672 57551389 1 FN2O2H25C26 AB2C2D25E26 -63.73 5.32 -8.21 -0.48 0
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162674 57551393 1 ClFO2N3H23C26 ABC2D3E23F26 -78.13 3.76 -8.2 -1.02 0
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162676 57551397 1 FN2O2H25C26 AB2C2D25E26 -68.01 4.58 -8.12 -0.41 0
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162678 57551410 1 FSO2N3H24C25 ABC2D3E24F25 -65.75 5.93 -8.22 -1.06 0
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162679 57551411 1 FON4H19C21 ABC4D19E21 -5.83 5.65 -8.19 -1.41 0
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162681 57551414 1 FN3O4C24H24 AB3C4D24E24 -152.44 7.12 -8.22 -0.66 0