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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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380 2682 1 OC16H34 AB16C34 -124.76 2.14 -10.38 2.79 0
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381 2683 1 NC21H38 AB21C38 -40.47 2.35 0.0 0.0 1
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382 2685 1 F3N4O5C23H25 A3B4C5D23E25 -290.39 9.68 -8.87 -0.73 0
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383 2686 1 N5O5C31H51 A5B5C31D51 -251.44 6.28 -8.72 -0.19 0
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384 2687 1 N3O3C14H21 A3B3C14D21 -118.88 6.06 -8.68 -0.12 0
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385 2688 1 NOSCl2H11C15 ABCD2E11F15 -6.77 3.41 -8.98 -0.66 0
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386 2689 1 F3N4C17H17 A3B4C17D17 -88.07 4.71 -8.55 -1.1 0
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387 2692 1 O4N5C16H23 A4B5C16D23 -134.67 4.55 -8.98 -0.62 0
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388 2693 1 S4N6O6H30C31 A4B6C6D30E31 -66.6 8.63 -8.64 -2.3 0
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389 2694 1 N5O6C27H39 A5B6C27D39 -235.73 4.47 -9.36 -0.09 0
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390 2695 1 N5O7C29H43 A5B7C29D43 -278.32 6.57 -8.65 -0.03 0
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391 2696 1 N5O5C27H39 A5B5C27D39 -232.13 6.6 -9.24 0.18 0
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392 2698 1 N5O6C28H41 A5B6C28D41 -237.63 8.62 -9.24 -0.05 0
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393 2699 1 N5O6C26H37 A5B6C26D37 -216.61 5.32 -9.43 -0.32 0
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394 2705 1 O4C25H42 A4B25C42 -264.2 5.9 -10.1 0.58 0
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395 2706 2 N2O3C14H19 A2B3C14D19 -211.15 6.24 -9.44 -0.55 0
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396 2707 1 C2O2Cl3H3 A2B2C3D3 -120.3 1.74 -11.24 -0.58 0
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397 2708 1 NCl2O2C14H19 AB2C2D14E19 -101.25 3.86 -8.83 -0.13 0
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398 2709 1 Cl2N2O8C15H16 A2B2C8D15E16 -267.87 10.71 -10.42 -1.39 0
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399 2710 1 ClN2C18H21 AB2C18D21 40.7 2.28 -8.43 -0.14 0
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400 2711 2 Cl4H4C5 A4B4C5 -59.8 4.36 -10.22 -0.47 0
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401 2712 1 ClON3H14C16 ABC3D14E16 88.36 5.42 -8.77 -1.36 0
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402 2713 2 ClN5C11H15 AB5C11D15 83.61 2.86 -8.76 -0.52 0
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403 2714 1 ClO4C23H29 AB4C23D29 -190.27 6.95 -9.67 -0.81 0
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404 2716 1 ClHgN2O2C5H11 ABC2D2E5F11 -53.64 5.03 -9.96 -0.92 0
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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