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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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395723 135026351 2 N2O2C11H14 A2B2C11D14 -110.75 2.37 -8.57 -0.47 0
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395724 135026353 1 N4O5C26H30 A4B5C26D30 -139.12 1.81 -8.54 -0.4 0
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395725 135026355 1 SiN4O5C29H46 AB4C5D29E46 -254.38 2.5 -8.74 -0.51 0
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395726 135026358 1 SO3N4C26H26 AB3C4D26E26 40.66 8.7 -8.1 -1.53 0
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395727 135026360 1 SO2N3C29H39 AB2C3D29E39 -74.58 7.9 -8.31 -0.14 0
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395728 135026369 2 N2O2C11H12 A2B2C11D12 -49.12 2.59 -9.05 -0.67 0
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395729 135026371 1 NC20H21 AB20C21 45.42 1.41 -8.12 -0.21 0
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395730 135026375 1 NO2C24H27 AB2C24D27 -40.72 3.88 -8.12 0.03 0
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395731 135026376 1 O5C22H32 A5B22C32 -228.61 4.63 -8.48 0.0 0
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395732 135026381 1 OC14H16 AB14C16 -3.06 2.21 -9.2 0.36 0
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395733 135026388 1 O2N3C23H23 A2B3C23D23 8.82 3.63 -9.29 -0.05 -1
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395735 135026398 1 NSSiO3C24H39 ABCD3E24F39 -167.28 4.54 -8.83 -0.42 0
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395736 135026403 1 NOH19C25 ABC19D25 194.45 4.2 -8.94 -0.29 0
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395737 135026404 1 BrH15C22 AB15C22 139.29 1.46 -8.85 -0.58 0
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395738 135026416 1 O2H14C19 A2B14C19 38.52 5.68 -9.74 -0.24 0
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395739 135026418 1 NC17H23 AB17C23 37.18 1.66 -8.53 0.02 0
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395740 135026424 2 FNOH5C7 ABCD5E7 -112.55 4.74 -8.5 -1.23 0
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395741 135026429 1 O3N4C31H32 A3B4C31D32 29.75 5.5 -8.21 -0.87 0
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395742 135026431 1 O2N4C29H30 A2B4C29D30 82.58 5.36 -8.16 -0.87 0
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395743 135026444 1 ClSN2F3O4C22H28 ABC2D3E4F22G28 -337.05 5.43 -8.78 -0.92 0
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395744 135026445 1 NO6C27H27 AB6C27D27 -205.93 5.58 -9.46 -1.12 0
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395745 135026446 14 CH AB 38.27 1.24 -8.43 -0.36 0
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395746 135026448 2 OH7C11 AB7C11 25.76 1.33 -9.5 -0.88 0
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395747 135026449 1 NSO2H11C17 ABC2D11E17 30.31 2.2 -8.85 -1.21 0
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395748 135026450 1 NPPdC16H16 ABCD16E16 152.21 2.94 -7.57 -0.29 0
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395749 135026452 1 NOH19C25 ABC19D25 113.78 4.02 -8.89 -0.55 -3
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395751 135026454 1 BrO2H17C19 AB2C17D19 -18.02 1.38 -9.53 -0.61 0
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395752 135026455 1 N3O4C19H29 A3B4C19D29 -139.36 7.12 -9.09 -1.36 0
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395753 135026456 1 PSN2O5C27H29 ABC2D5E27F29 -190.6 7.07 -8.11 -0.62 0
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395754 135026457 1 PO3C22H41 AB3C22D41 -227.19 4.18 -9.24 0.15 0
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395755 135026458 1 O9C43H72 A9B43C72 -438.55 6.27 -9.04 0.3 0
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395756 135026461 1 O5C17H28 A5B17C28 -239.05 3.16 -9.24 0.25 4
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395757 135026467 1 FeO2P4C43H48 AB2C4D43E48 69.36 7.67 -6.06 -0.62 0
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395758 135026469 1 N2O3C25H28 A2B3C25D28 -73.68 1.29 -8.35 -0.09 0
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395759 135026472 1 ON2C23H30 AB2C23D30 -15.19 2.73 -8.61 -0.45 0
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395760 135026473 1 ON2C23H30 AB2C23D30 1.6 5.81 -8.22 -0.81 0
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395761 135026474 1 ON3C11H13 AB3C11D13 39.65 3.44 -9.45 -0.45 1
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395762 135026475 1 ON3C11H14 AB3C11D14 42.45 6.98 0.0 0.0 0
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395763 135026476 1 N4O4C31H44 A4B4C31D44 -86.53 5.72 -9.23 0.17 0
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395764 135026478 1 NSiO4C39H45 ABC4D39E45 -66.38 4.26 -9.36 0.14 0
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395765 135026479 1 NO3C29H35 AB3C29D35 -67.1 1.86 -9.11 0.1 0
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395766 135026480 1 NO3C29H35 AB3C29D35 -66.74 1.12 -9.08 0.21 0
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395767 135026481 1 N3O3C22H23 A3B3C22D23 -46.0 6.51 -8.72 0.06 0
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395768 135026482 2 NH7C8 AB7C8 85.33 2.31 -7.73 -0.57 0
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395769 135026484 1 BrN3H14C21 AB3C14D21 153.68 6.08 -9.32 -0.94 0
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395770 135026485 1 O3N4C24H32 A3B4C24D32 -96.79 4.61 -8.45 -0.86 0
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395771 135026486 1 O3N4C19H26 A3B4C19D26 -108.44 5.16 -8.35 -0.6 0
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395772 135026487 1 FON3H12C16 ABC3D12E16 71.05 8.33 -7.57 -1.87 0
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395773 135026489 1 N2O2H16C21 A2B2C16D21 38.47 2.23 -8.29 -1.37 0
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395774 135026490 1 NO6C27H29 AB6C27D29 -154.24 5.77 -8.48 -0.29 0
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395775 135026491 1 ClN2O5H23C24 AB2C5D23E24 -44.37 3.78 -8.85 -0.97 1
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395776 135026493 1 N2C42H49 A2B42C49 73.5 2.49 0.0 0.0 0
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395777 135026495 1 OC6H12 AB6C12 -52.02 1.58 -10.03 2.64 0
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395778 135026504 1 N3O6H15C19 A3B6C15D19 -82.14 10.2 -9.63 -1.02 0
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395779 135026506 1 N3O5C15H15 A3B5C15D15 -54.3 10.91 -9.75 -0.86 0
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395780 135026515 1 F3N4O5H13C20 A3B4C5D13E20 -185.53 4.51 -10.18 -1.62 0
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395781 135026517 1 N3O5H15C19 A3B5C15D19 -45.24 5.08 -9.6 -0.95 0
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395782 135026521 1 O7C19H28 A7B19C28 -290.73 5.87 -9.86 -0.14 0
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395783 135026523 1 NSiO4C23H35 ABC4D23E35 -134.62 5.98 -9.1 0.56 0
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395784 135026529 2 NO2C9H9 AB2C9D9 -89.76 3.03 -9.21 -1.2 0
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395785 135026530 1 NSiO5C24H39 ABC5D24E39 -208.15 2.76 -8.99 0.23 0
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395786 135026532 1 SiO5C24H38 AB5C24D38 -253.43 2.8 -9.03 -0.13 0
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395787 135026534 1 N2O11C26H32 A2B11C26D32 -428.96 2.92 -9.46 -0.88 0
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395788 135026540 1 N2O3C14H16 A2B3C14D16 -90.75 3.79 -9.16 -0.42 0
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395789 135026542 1 BrN2O4H13C22 AB2C4D13E22 21.67 7.37 -9.03 -2.29 0
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395790 135026544 1 NOSiC13H17 ABCD13E17 -40.4 3.96 -9.35 -0.83 0
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395791 135026545 1 F3N4C34H41 A3B4C34D41 -106.82 7.81 -8.64 -0.08 0
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395792 135026549 1 ClN2O7C23H27 AB2C7D23E27 -288.45 6.11 -9.5 -0.84 0
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395793 135026560 1 NO3C19H21 AB3C19D21 -83.1 7.61 -8.91 -0.73 0
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395794 135026567 1 NSO3H17C21 ABC3D17E21 -23.16 4.47 -8.78 -0.6 0
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395796 135026573 1 NO2S2C17H17 AB2C2D17E17 -22.9 5.48 -8.61 -0.65 0
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395797 135026575 1 Cl2F3N3O4H32C34 A2B3C3D4E32F34 -295.9 6.03 -9.42 -0.81 0
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395798 135026577 1 NOF3H12C16 ABC3D12E16 -142.6 2.07 -8.33 -0.74 0
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395799 135026587 2 OH6C10 AB6C10 21.27 1.46 -9.01 -1.86 0
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395800 135026588 1 NSC5O5H11 ABC5D5E11 -221.55 5.9 -10.29 -0.16 0
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395801 135026594 1 NH29C30 AB29C30 79.33 3.86 -7.73 -0.51 0
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395802 135026595 1 NO4C26H27 AB4C26D27 -79.76 3.44 -8.39 -0.27 0
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395803 135026606 1 IF2O4C12H17 AB2C4D12E17 -292.6 4.75 -10.21 -1.82 0
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395804 135026609 1 F2I2O5C20H24 A2B2C5D20E24 -296.99 2.91 -8.85 -1.66 0
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395805 135026613 1 O3N6C23H26 A3B6C23D26 20.72 2.05 -8.59 -1.17 0
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395806 135026614 1 SN2F3O4H19C20 AB2C3D4E19F20 -266.08 4.88 -9.18 -1.24 1
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395807 135026621 2 H2C3 A2B3 152.66 0.0 -8.36 -1.46 0
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395808 135026622 1 N2C15H24 A2B15C24 -12.54 2.06 -8.18 0.58 0
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395809 135026624 1 NOH19C22 ABC19D22 30.05 2.78 -8.76 -0.12 0
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395810 135026629 1 SiO6C32H52 AB6C32D52 -306.51 4.84 -8.85 0.15 0
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395811 135026632 1 NSiS2O6C39H63 ABC2D6E39F63 -292.09 8.76 -8.28 -0.58 0
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395812 135026634 1 OC19H20 AB19C20 -13.07 2.45 -8.74 -0.1 0
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395813 135026635 1 OC19H20 AB19C20 -11.73 1.52 -8.78 -0.12 0
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395814 135026637 1 NH17C19 AB17C19 54.81 3.22 -8.82 -0.39 0
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395815 135026638 1 NH17C19 AB17C19 51.63 2.46 -8.85 -0.42 0
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395816 135026640 1 NF3H14C19 AB3C14D19 -101.64 4.94 -9.51 -1.03 0
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395817 135026642 1 PO2C23H23 AB2C23D23 -53.75 4.38 -9.45 -0.21 0
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395818 135026643 1 PO3C22H29 AB3C22D29 -153.74 3.48 -9.46 -0.37 0
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395819 135026644 1 ClNOI2H6C7 ABCD2E6F7 9.55 3.61 -8.6 -1.25 0
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395820 135026645 1 NO2C25H29 AB2C25D29 -38.78 6.65 -8.38 -0.11 0
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395821 135026646 1 NO4C24H25 AB4C24D25 -112.14 2.87 -8.54 -0.01 0
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395822 135026647 1 OSiC20H26 ABC20D26 -8.77 2.94 -9.62 -0.38 1
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395823 135026648 1 ON2C34H45 AB2C34D45 27.42 2.08 0.0 0.0 0
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395824 135026649 2 O6C15H16 A6B15C16 -463.99 4.38 -9.17 -0.66 0
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395825 135026651 1 N3O5H13C14 A3B5C13D14 -94.19 5.24 -9.71 -1.0 0