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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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405 2717 1 ClNSO3C11H12 ABCD3E11F12 -103.31 3.2 -9.65 -0.56 0
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406 2718 1 ClNO2H8C11 ABC2D8E11 -41.65 2.25 -9.12 -1.06 0
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407 2719 1 ClN3C18H26 AB3C18D26 8.29 6.18 -8.61 -0.62 0
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408 2720 1 ClS2N3O4H6C7 AB2C3D4E6F7 -109.62 9.27 -10.37 -1.51 0
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409 2721 1 ClO3H21C23 AB3C21D23 -46.44 4.18 -8.67 0.08 0
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410 2725 1 ClN2C16H19 AB2C16D19 37.63 2.88 -8.8 -0.11 0
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411 2726 1 ClSN2C17H19 ABC2D17E19 38.71 3.83 -7.8 -0.37 0
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412 2729 1 ClNSC18H18 ABCD18E18 47.49 2.78 -8.41 -0.56 0
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413 2732 1 ClSN2O4H11C14 ABC2D4E11F14 -109.65 1.17 -10.11 -1.13 0
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414 2733 1 ClNO2H4C7 ABC2D4E7 -54.2 2.73 -9.47 -0.9 0
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415 2734 1 ClNO3H4C7 ABC3D4E7 -95.92 1.93 -9.08 -0.98 0
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416 2736 1 O5C24H44 A5B24C44 -208.18 4.99 -9.94 -0.16 0
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417 2737 1 N3O26C83H133 A3B26C83D133 -1136.62 16.89 -7.13 -0.75 0
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418 2738 1 N3O22C79H129 A3B22C79D129 -1069.9 12.64 -9.09 -1.0 0
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419 2739 1 N3O23C81H131 A3B23C81D131 -959.93 14.39 -6.69 -2.32 0
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420 2742 1 O25C57H82 A25B57C82 -1156.86 4.55 -8.63 -0.91 0
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421 2743 2 OC5H8 AB5C8 -91.44 5.61 -9.79 0.68 0
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422 2744 1 O4H10C15 A4B10C15 -87.37 12.42 -9.02 -1.68 0
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423 2745 1 N7O7C31H41 A7B7C31D41 -265.03 4.74 -9.43 -0.41 0
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424 2747 2 NC9H9 AB9C9 85.4 2.87 -9.08 -0.02 0
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425 2749 1 NO2C12H17 AB2C12D17 -64.79 4.68 -8.9 -0.22 0
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426 2752 1 N2O7C27H28 A2B7C27D28 -157.61 5.63 -9.25 -1.15 0
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427 2753 1 N2O3C20H26 A2B3C20D26 -120.45 8.41 -8.49 -0.89 0
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428 2754 1 O2N5C20H27 A2B5C20D27 -27.72 5.91 -8.47 -0.2 0
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429 2755 1 ON3C12H17 AB3C12D17 -12.03 2.5 -8.82 -0.43 0
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430 2756 1 SN6C10H16 AB6C10D16 76.77 5.6 -8.85 0.17 0
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431 2759 1 N3O5C22H31 A3B5C22D31 -160.83 2.79 -8.6 -0.53 0
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432 2760 2 NC13H14 AB13C14 89.83 1.17 -8.32 0.16 0
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433 2762 1 N2O5H10C12 A2B5C10D12 -132.17 10.57 -9.39 -1.48 0
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434 2763 1 Cl2O3C13H14 A2B3C13D14 -113.12 3.78 -9.44 -0.4 0
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435 2764 1 FN3O3C17H18 AB3C3D17E18 -107.53 12.99 -9.0 -1.02 0
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436 2765 1 ON2C13H16 AB2C13D16 23.81 1.87 -8.97 0.1 0
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437 2766 1 NO2C4H7 AB2C4D7 -70.1 6.5 -10.23 -0.32 0
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439 2769 1 ClFN3O4C23H29 ABC3D4E23F29 -180.83 6.61 -8.72 -0.36 0
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440 2770 1 PtCl2 AB2 102.81 1.44 -10.03 -3.32 0
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441 2771 1 FON2C20H21 ABC2D20E21 -14.95 3.74 -8.88 -0.89 0
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442 2772 1 P2N4O11C14H27 A2B4C11D14E27 -509.66 13.54 0.0 0.0 1
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443 2773 1 NSO2C6H9 ABC2D6E9 -88.89 4.68 -9.22 -0.18 0
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444 2774 1 O5C13H14 A5B13C14 -199.71 6.7 -9.31 -1.26 0
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445 2775 1 O4H10C11 A4B10C11 -128.22 6.22 -9.25 -0.75 0
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446 2776 1 BrON4H13C18 ABC4D13E18 96.54 7.42 -8.64 -1.04 0
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447 2777 1 N2O3C17H22 A2B3C17D22 -79.81 4.32 -8.97 -0.83 0
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448 2778 1 NO13C35H63 AB13C35D63 -629.17 2.74 -8.65 0.28 0
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449 2779 1 NO4C10H15 AB4C10D15 -172.01 3.78 -10.27 -0.02 0
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450 2780 1 ClO2N3C20H24 AB2C3D20E24 -58.31 6.14 -8.78 -0.26 0
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451 2781 1 ClNOC21H26 ABCD21E26 -20.44 5.06 -8.83 0.03 0
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452 2782 1 ClN3C19H20 AB3C19D20 58.45 3.49 -8.82 -0.29 0
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453 2783 1 OCl2N2C12H18 AB2C2D12E18 -67.01 2.68 -8.62 -0.28 0
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454 2784 1 NO3C22H26 AB3C22D26 -54.9 2.78 0.0 0.0 1
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455 2786 1 ClSN2O5C18H33 ABC2D5E18F33 -271.16 7.7 -9.14 0.04 0
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456 2787 2 O3C14H18 A3B14C18 -252.5 7.78 -9.38 -0.33 0
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457 2788 1 ClINOH5C9 ABCDE5F9 14.65 3.13 -8.98 -1.25 0
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458 2789 1 ClN2O2H13C16 AB2C2D13E16 -35.27 4.54 -9.03 -0.89 0
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459 2791 1 ClFO5C25H32 ABC5D25E32 -271.56 9.19 -9.72 -0.41 0
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460 2792 1 ClFO5C26H32 ABC5D26E32 -266.53 9.14 -9.97 -0.58 0
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461 2793 1 ClON4C28H37 ABC4D28E37 -24.18 5.0 -8.3 0.1 0
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462 2794 1 Cl2N4H22C27 A2B4C22D27 113.82 4.88 -8.04 -1.31 0
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463 2796 1 ClO3C12H15 AB3C12D15 -128.6 4.5 -8.96 -0.12 0
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464 2797 1 ClO3C10H11 AB3C10D11 -122.6 3.92 -9.66 -0.65 0
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465 2798 1 ClNC21H37 ABC21D37 -15.81 2.85 0.0 0.0 1
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466 2800 1 ClNOC26H28 ABCD26E28 25.05 2.38 -8.75 -0.03 0
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467 2801 1 ClN2C19H23 AB2C19D23 32.36 4.85 -8.55 -0.04 0
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468 2802 1 ClN3O3H10C15 AB3C3D10E15 16.07 1.23 -9.92 -1.67 0
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469 2804 1 ClSN3O3C14H20 ABC3D3E14F20 -100.29 1.28 -8.68 -1.11 0
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470 2805 1 ClNOC20H24 ABCD20E24 -15.3 3.64 -8.76 -0.03 0
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471 2806 1 ClNSO2C16H16 ABCD2E16F16 -36.31 1.87 -8.85 -0.32 0
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472 2809 1 ClN2O3H11C16 AB2C3D11E16 -58.1 7.84 -9.71 -1.38 0
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473 2810 1 ClNOC11H16 ABCD11E16 -48.18 2.6 -8.81 -0.31 0
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474 2811 1 ClOSN2H15C16 ABCD2E15F16 10.67 5.13 -8.82 -0.7 0
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475 2812 1 ClN2H17C22 AB2C17D22 111.95 5.81 -9.16 -0.48 0
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476 2813 1 ClSN3O5H17C19 ABC3D5E17F19 -56.66 6.42 0.0 0.0 -1
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477 2814 1 ClSN3O5H18C19 ABC3D5E18F19 -125.91 4.57 -9.63 -0.95 0
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478 2820 1 ClN4C17H17 AB4C17D17 87.75 4.2 -7.97 -1.03 0
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479 2821 1 H2Na2N4O4C9 A2B2C4D4E9 -91.32 5.02 -8.08 -1.32 0
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480 2822 1 SP3N9O17C33H48 AB3C9D17E33F48 -862.22 6.3 -8.44 -0.82 0
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481 2823 1 CoPN13O14C62H88 ABC13D14E62F88 -619.02 35.56 0.0 0.0 0
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482 2824 1 PN13O14C62H88 AB13C14D62E88 -628.97 9.87 -8.65 -0.84 0
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483 2825 1 NO4C18H23 AB4C18D23 -159.87 3.75 -8.94 -0.64 0
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484 2827 2 NO2H15C16 AB2C15D16 -52.05 0.96 -8.09 -1.95 0
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485 2828 1 NO3C18H21 AB3C18D21 -73.32 4.79 -8.32 0.07 0
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486 2832 1 NO5C21H25 AB5C21D25 -120.09 4.61 -8.32 -0.64 0
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487 2833 1 NO6C22H25 AB6C22D25 -174.78 6.53 -8.46 -0.59 0
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488 2835 1 S5N16O28C57H103 A5B16C28D57E103 -1026.54 20.68 0.0 0.0 -5
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489 2836 1 S5N16O28C57H108 A5B16C28D57E108 -1257.66 8.56 -7.6 -2.07 0
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490 2837 1 N5O7C35H49 A5B7C35D49 -296.44 10.78 -8.5 -0.06 0
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491 2841 1 N5O7C32H45 A5B7C32D45 -250.25 6.26 -8.99 -0.63 0
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492 2856 1 ClON6C16H19 ABC6D16E19 20.17 5.1 -8.6 -0.65 0
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493 2863 1 O6C23H30 A6B23C30 -273.02 7.91 -9.65 -0.08 0
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494 2864 2 O4C17H24 A4B17C24 -325.35 6.39 -9.58 -0.75 0
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495 2867 1 BrO2N3H14C20 AB2C3D14E20 27.27 5.66 -8.23 -0.96 0
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496 2869 1 BrN3O3H14C20 AB3C3D14E20 -16.04 6.44 -8.32 -1.1 0
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497 2870 1 N5O17C57H65 A5B17C57D65 -636.83 9.83 -8.65 -0.91 0
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498 2873 1 ClN3O4H20C22 AB3C4D20E22 -100.5 2.78 -9.15 -1.07 0
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499 2875 1 NF2O3C11H19 AB2C3D11E19 -253.23 3.45 -9.82 -0.31 0
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500 2879 1 OC7H8 AB7C8 -30.16 1.64 -8.77 0.17 0
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501 2880 1 ClON2H15C18 ABC2D15E18 54.45 5.03 -9.13 -0.42 0
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502 2884 1 S2N11O11C50H67 A2B11C11D50E67 -464.88 2.76 -8.77 -0.77 0
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503 2886 1 O7C30H44 A7B30C44 -311.22 2.35 -9.89 -0.34 0
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504 2888 1 O7C30H42 A7B30C42 -301.44 8.91 -8.89 -0.5 0
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505 2891 1 CoPN14O14C63H89 ABC14D14E63F89 -564.48 45.28 0.0 0.0 0