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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165592 74573698 1 N4C16H25 A4B16C25 76.84 4.42 0.0 0.0 1
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165593 74573746 1 N4C14H21 A4B14C21 68.43 7.13 0.0 0.0 1
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165594 74573777 1 N4C10H17 A4B10C17 81.54 3.2 0.0 0.0 0
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165595 74573778 2 N2C5H8 A2B5C8 52.83 3.49 -8.51 -0.27 1
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165596 74573818 1 ClON2C13H18 ABC2D13E18 2.12 2.76 0.0 0.0 1
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165597 74573934 1 N5C15H24 A5B15C24 92.25 5.57 0.0 0.0 0
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165598 74574221 2 NOC6H8 ABC6D8 -36.72 4.46 -9.98 -1.16 1
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165599 74574222 1 ClFN3O4H26C28 ABC3D4E26F28 -93.31 19.65 0.0 0.0 1
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165600 74574223 1 N2O3C18H29 A2B3C18D29 -97.46 5.02 0.0 0.0 1
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165601 74574246 1 SO2N3C19H26 AB2C3D19E26 -39.74 1.48 0.0 0.0 0
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165602 74574372 1 SN2O3C17H20 AB2C3D17E20 -103.55 5.19 -8.78 -0.45 0
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165603 74574373 1 OSN2H18C19 ABC2D18E19 19.91 2.77 -8.46 -0.32 0
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165604 74574374 1 OSN2C20H20 ABC2D20E20 9.65 2.22 -8.38 -0.21 1
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165605 74575168 1 N3O5C24H30 A3B5C24D30 -114.1 7.73 0.0 0.0 1
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165606 74575169 1 BrSN3O3C20H23 ABC3D3E20F23 -45.63 10.79 0.0 0.0 1
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165607 74575233 1 ClN2O3C23H30 AB2C3D23E30 -83.8 4.79 0.0 0.0 1
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165608 74575234 1 N3O3C20H26 A3B3C20D26 -67.38 5.0 0.0 0.0 0
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165609 74575315 1 NO2C14H19 AB2C14D19 -92.86 7.57 -9.29 0.06 1
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165610 74575357 1 N3O4C22H26 A3B4C22D26 -99.89 5.21 0.0 0.0 0
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165611 74575467 1 SO2N4C13H20 AB2C4D13E20 -64.97 1.62 -9.05 -0.36 0
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165612 74575493 1 O3N4C14H18 A3B4C14D18 -122.27 7.89 -8.61 -0.02 -1
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165613 74575576 1 BrN3O4H5C8 AB3C4D5E8 16.33 5.64 0.0 0.0 0
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165614 74575650 1 SO2N5C17H29 AB2C5D17E29 -50.58 13.71 -7.97 -0.91 -1
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165615 74575700 1 O8C18H19 A8B18C19 -263.54 8.88 0.0 0.0 1
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165616 74575850 1 O3N4C28H41 A3B4C28D41 -62.19 6.74 0.0 0.0 0
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165617 74576189 1 SN2O6C26H30 AB2C6D26E30 -204.18 3.37 -9.03 -0.42 1
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165618 74576190 1 ClO2N4C21H30 AB2C4D21E30 -50.24 8.17 0.0 0.0 0
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165619 74576599 1 ON6C28H32 AB6C28D32 97.12 3.84 -8.62 -0.11 2
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165620 74576600 1 O2N4C29H34 A2B4C29D34 45.65 4.09 -8.8 -0.64 0
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165621 74576671 1 N3O4C23H39 A3B4C23D39 -228.92 6.43 -9.36 0.61 0
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165622 74577260 1 N3O5C22H29 A3B5C22D29 -148.49 1.66 -8.21 -0.05 1
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165623 74577566 1 SF3O4N5H19C21 AB3C4D5E19F21 -152.81 4.85 0.0 0.0 0
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165624 74577567 1 SF3O4N5H18C21 AB3C4D5E18F21 -171.42 6.87 -9.46 -1.5 1
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165625 74577568 1 SO3N5C17H22 AB3C5D17E22 6.82 1.87 0.0 0.0 0
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165626 74577569 1 SO3N5C17H21 AB3C5D17E21 -9.12 3.1 -9.56 -1.57 1
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165627 74577587 1 N4O4H23C25 A4B4C23D25 6.84 2.73 0.0 0.0 1
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165628 74577704 1 N4O4C28H51 A4B4C28D51 -214.89 7.98 0.0 0.0 0
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165629 74577813 1 SN3O5C23H31 AB3C5D23E31 -165.97 4.23 -8.31 -0.6 1
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165630 74578402 1 N4O4C21H29 A4B4C21D29 -101.5 3.73 0.0 0.0 0
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165631 74578629 1 FNO3C22H28 ABC3D22E28 -187.67 6.72 -9.86 -0.59 0
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165632 74578630 1 FN2O3C28H41 AB2C3D28E41 -228.75 4.9 -9.71 -0.51 0
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165633 74578631 1 N3O5C24H43 A3B5C24D43 -272.01 3.33 -9.01 1.03 0
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165634 74578632 1 N2O4C25H38 A2B4C25D38 -205.14 4.11 -9.66 -0.01 0
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165635 74578633 2 NO2C13H20 AB2C13D20 -204.6 5.65 -9.29 0.36 0
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165636 74578634 2 NO3C12H22 AB3C12D22 -315.81 6.87 -9.34 1.02 0
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165637 74578635 2 NO2C11H20 AB2C11D20 -253.87 4.14 -9.69 1.03 0
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165638 74578636 1 ClN2O4C25H37 AB2C4D25E37 -215.76 2.88 -9.64 -0.26 0
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165639 74579279 1 OSN3C21H27 ABC3D21E27 -3.87 5.04 -8.38 -0.69 0
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165640 74579588 1 ON5C25H33 AB5C25D33 12.09 4.68 -8.25 -0.35 -1
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165641 74579863 1 N2O3C21H27 A2B3C21D27 -54.25 7.26 0.0 0.0 1
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165642 74579864 1 ON3C23H28 AB3C23D28 17.93 2.61 0.0 0.0 1
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165643 74579865 1 N3O3C25H30 A3B3C25D30 -39.29 0.69 0.0 0.0 1
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165644 74579866 1 N3O3C24H28 A3B3C24D28 -16.05 2.55 0.0 0.0 1
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165645 74579867 1 ClON4H24C27 ABC4D24E27 116.25 23.78 0.0 0.0 -1
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165646 74579868 1 ClSN2O4H20C26 ABC2D4E20F26 1.66 18.03 0.0 0.0 -1
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165647 74579869 1 SN3O4H18C24 AB3C4D18E24 -16.57 9.75 0.0 0.0 -1
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165648 74579870 1 NS2O3H10C17 AB2C3D10E17 20.86 5.61 0.0 0.0 -1
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165649 74579871 1 PO4C13H18 AB4C13D18 -191.51 6.13 0.0 0.0 -1
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165650 74579872 1 NO3H20C21 AB3C20D21 -54.84 3.5 0.0 0.0 1
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165651 74579873 1 ClO2N4C21H22 AB2C4D21E22 7.93 4.11 0.0 0.0 1
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165652 74579874 1 ClON4C25H30 ABC4D25E30 67.99 2.49 0.0 0.0 1
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165653 74579875 1 ClON5H23C24 ABC5D23E24 102.12 2.77 0.0 0.0 1
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165654 74579876 1 ClN3O3H19C23 AB3C3D19E23 27.2 4.39 0.0 0.0 -1
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165655 74579877 1 SN3O3H16C19 AB3C3D16E19 68.24 5.92 0.0 0.0 1
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165656 74579878 1 SN4C21H25 AB4C21D25 87.76 4.09 0.0 0.0 1
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165657 74579980 1 N2O3C21H35 A2B3C21D35 -104.79 2.53 0.0 0.0 0
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165658 74579998 1 O2N5C18H25 A2B5C18D25 -18.58 8.14 -9.45 -0.24 0
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165659 74580339 2 NO2C7H7 AB2C7D7 -66.37 6.17 -9.54 -1.02 0
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165660 74580743 1 FNO2C15H20 ABC2D15E20 -113.15 9.26 -8.31 -0.83 2
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165661 74580955 2 ON3C12H15 AB3C12D15 27.8 14.51 -6.38 -0.43 0
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165662 74581263 1 F2O2N4C21H24 A2B2C4D21E24 -98.42 13.62 -8.09 -1.08 2
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165663 74581452 1 ON5C25H41 AB5C25D41 58.31 16.96 -6.06 -0.11 1
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165664 74581542 1 SN5C16H22 AB5C16D22 107.89 8.82 0.0 0.0 1
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165665 74582368 1 O3N5C21H28 A3B5C21D28 -30.53 4.26 0.0 0.0 0
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165666 74582493 1 O4H16C17 A4B16C17 -99.55 4.3 -8.84 -0.55 0
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165667 74582659 1 NO3C10H13 AB3C10D13 -117.57 7.03 -9.27 -0.29 -1
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165668 74582673 1 ClNS2O5C25H27 ABC2D5E25F27 -92.69 4.7 0.0 0.0 -1
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165669 74582674 1 NS2O4C24H26 AB2C4D24E26 -47.67 3.88 0.0 0.0 -1
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165670 74582675 1 ClNS2O4C24H25 ABC2D4E24F25 -55.5 6.95 0.0 0.0 -1
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165671 74582676 1 NS2O5C25H28 AB2C5D25E28 -80.58 3.23 0.0 0.0 -1
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165672 74582677 1 NS2O5C26H30 AB2C5D26E30 -86.76 4.11 0.0 0.0 -1
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165673 74582678 1 NS2O4C24H26 AB2C4D24E26 -47.33 4.34 0.0 0.0 -3
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165674 74582679 1 P2C6O7H13 A2B6C7D13 -306.37 5.72 0.0 0.0 -1
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165675 74582680 1 SN3C10H10 AB3C10D10 99.88 6.81 0.0 0.0 0
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165676 74582700 1 O2N4C25H34 A2B4C25D34 -61.8 5.88 -9.19 -0.43 0
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165677 74583078 1 ClOSN2C15H15 ABCD2E15F15 -19.87 0.71 -8.36 -0.28 0
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165678 74583079 1 OSN2Cl3H11C13 ABC2D3E11F13 -25.89 4.57 -8.86 -0.88 0
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165679 74583119 1 O2S2N7C22H29 A2B2C7D22E29 -1.59 9.42 -8.59 -1.0 0
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165680 74583120 1 NO2C13H15 AB2C13D15 -13.24 21.24 -8.19 -1.47 0
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165681 74583121 1 NSC11H15 ABC11D15 40.71 9.86 -7.24 -0.57 1
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165682 74583383 1 F2N2O2C21H27 A2B2C2D21E27 -122.74 2.89 0.0 0.0 2
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165683 74583384 1 ClON4C21H35 ABC4D21E35 39.91 40.16 -4.2 -1.93 0
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165684 74583385 1 ClON4C21H33 ABC4D21E33 -51.81 2.89 -8.6 -0.17 0
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165685 74583430 1 FN4O4C26H33 AB4C4D26E33 -167.58 6.54 -8.91 -0.5 0
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165686 74583451 1 FN5C25H34 AB5C25D34 31.47 4.27 -8.59 -0.08 2
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165687 74583455 1 F2N4C19H26 A2B4C19D26 13.51 12.77 -5.01 -1.27 1
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165688 74583504 1 N4C26H33 A4B26C33 89.98 8.37 0.0 0.0 0
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165689 74584387 1 ClOF3N3H15C21 ABC3D3E15F21 -63.62 5.8 -8.93 -2.05 0
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165690 74584388 1 N2O2F3H17C19 A2B2C3D17E19 -135.57 7.95 -8.91 -1.25 0
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165691 74584389 1 SN3O3C19H23 AB3C3D19E23 -80.45 7.36 -8.79 -0.63 -1