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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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2725 8399 1 NO2C9H9 AB2C9D9 5.9 3.01 -8.88 -0.94 0
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2726 8402 1 OSN2C12H12 ABC2D12E12 22.52 7.16 -8.02 0.17 0
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2727 8409 2 SO2H5C7 AB2C5D7 -121.94 1.59 -8.97 -1.65 0
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2728 8412 2 NH6C9 AB6C9 102.16 0.76 -9.1 -1.07 0
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2729 8417 1 O4H10C11 A4B10C11 -115.97 4.93 -8.74 -1.09 0
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2730 8418 2 H5C7 A5B7 59.49 0.0 -8.37 -0.96 0
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2731 8420 1 SO3H8C10 AB3C8D10 -83.81 5.39 -9.54 -1.24 0
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2732 8422 1 O3H10C12 A3B10C12 -81.71 5.08 -9.12 -0.85 0
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2733 8424 1 NOC8H15 ABC8D15 -60.36 1.17 -8.8 2.7 0
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2734 8425 1 ClOH11C13 ABC11D13 -12.79 2.46 -8.96 -0.23 0
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2735 8426 2 NOC7H7 ABC7D7 -32.29 4.43 -8.56 -0.35 0
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2736 8427 1 Cl2O3H8C9 A2B3C8D9 -122.21 4.1 -9.56 -0.94 0
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2737 8428 1 NOC9H13 ABC9D13 -38.6 2.21 -8.13 0.54 0
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2738 8429 1 Cl3O3C13H15 A3B3C13D15 -139.1 3.42 -9.22 -0.88 0
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2739 8430 1 NO3C16H33 AB3C16D33 -194.28 6.71 -9.56 0.98 0
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2740 8431 1 N2O2C7H14 A2B2C7D14 -93.12 2.65 -9.26 0.81 0
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2741 8432 1 O2C11H14 A2B11C14 -82.94 1.94 -9.59 0.17 0
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2742 8433 1 O2H12C15 A2B12C15 -22.71 0.64 -9.98 -0.8 0
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2743 8436 1 NOS2C9H9 ABC2D9E9 6.23 2.92 -8.63 -0.73 0
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2744 8437 1 O5C18H18 A5B18C18 -161.69 3.6 -10.07 -0.74 0
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2745 8442 1 SO3C18H28 AB3C18D28 -116.27 4.41 -8.4 -0.03 0
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2746 8443 1 NOC9H11 ABC9D11 -35.57 4.33 -8.68 0.18 0
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2747 8444 2 ClOC4H4 ABC4D4 -80.06 2.15 -9.12 -0.58 0
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2748 8445 1 NOC8H11 ABC8D11 -25.47 1.25 -8.0 0.42 0
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2749 8446 1 NSH7C8 ABC7D8 38.71 0.97 -9.06 -0.59 0
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2750 8447 2 NS2H4C7 AB2C4D7 115.68 2.63 -9.06 -1.84 0
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2751 8449 1 OCl2H4C6 AB2C4D6 -37.26 2.6 -9.2 -0.62 0
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2752 8452 1 OC5H8 AB5C8 -53.92 3.41 -10.08 0.75 0
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2753 8455 1 OC16H26 AB16C26 -74.24 1.07 -8.55 0.41 0
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2754 8456 1 O2C11H16 A2B11C16 -82.68 0.96 -8.28 0.12 0
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2755 8459 2 NC4H10 AB4C10 -27.58 1.04 -8.48 2.64 0
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2756 8460 1 PO4C24H27 AB4C24D27 -202.66 1.49 -9.16 -0.14 0
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2757 8461 1 N2O4H6C7 A2B4C6D7 5.8 5.78 -11.09 -1.97 0
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2758 8463 1 O5C21H28 A5B21C28 -193.84 3.1 -9.68 -0.41 0
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2759 8464 1 O3C21H28 A3B21C28 -98.96 5.62 -9.24 -0.3 0
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2760 8465 1 NO3C11H15 AB3C11D15 -108.05 4.57 -9.14 -0.65 0
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2761 8467 1 O3C9H10 A3B9C10 -92.91 2.08 -9.0 -0.75 0
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2762 8471 1 NC6H15 AB6C15 -21.05 1.36 -8.49 2.92 0
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2763 8474 1 NSO3C6H7 ABC3D6E7 -100.35 5.78 -9.1 -0.76 0
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2764 8475 1 ClNF3H5C7 ABC3D5E7 -149.99 3.06 -9.08 -0.81 0
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2765 8476 1 ClNSH4O4C6 ABCD4E4F6 -61.11 5.32 -11.56 -2.16 0
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2766 8481 1 ClNSO3C8H8 ABCD3E8F8 -114.47 9.99 -9.97 -1.2 0
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2767 8483 1 NSO4C8H9 ABC4D8E9 -154.05 7.94 -9.77 -0.9 0
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2768 8485 1 SO3C18H30 AB3C18D30 -163.33 5.95 -10.34 -0.72 0
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2769 8494 1 NO3H7C8 AB3C7D8 -22.57 1.93 -10.8 -1.64 0
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2770 8496 2 O2H3C4 A2B3C4 -139.09 4.7 -11.08 -1.45 0
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2771 8497 1 NO4H5C7 AB4C5D7 -61.12 3.77 -11.33 -1.95 0
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2772 8500 1 OC9H10 AB9C10 -28.59 4.07 -9.66 -0.42 0
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2773 8501 1 OCl2H4C7 AB2C4D7 -30.84 2.88 -10.33 -1.51 0
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2774 8503 1 NO2C5H13 AB2C5D13 -92.34 1.93 -9.12 1.76 0
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2775 8504 1 NOC11H19 ABC11D19 1.51 3.66 -7.41 0.12 0
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2778 8507 1 NaN2S2O6C27H31 AB2C2D6E27F31 -128.41 36.89 -8.45 -2.48 0
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2779 8545 2 O4C5H6 A4B5C6 -308.43 3.95 -10.5 -1.24 0
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2780 8546 1 O6H16C23 A6B16C23 -181.69 9.43 -9.15 -1.76 0
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2781 8549 2 NOC10H12 ABC10D12 -25.2 4.18 -8.78 -0.76 0
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2782 8550 2 NO4C16H19 AB4C16D19 -267.12 3.01 -8.2 -0.73 0
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2783 8551 1 NaSO5H8C14 ABC5D8E14 -203.58 7.16 0.0 0.0 1
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2784 8553 1 ClO2H7C14 AB2C7D14 -19.82 1.77 -10.09 -1.9 0
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2785 8555 1 P2Na4H8O8C11 A2B4C8D8E11 -684.11 11.57 -7.05 0.17 0
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2786 8556 1 P2O8C11H12 A2B8C11D12 -439.39 4.72 -8.92 -0.9 0
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2787 8559 2 O2C7H9 A2B7C9 -165.45 2.4 -10.34 -0.82 0
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2788 8560 2 O2C7H7 A2B7C7 -106.66 3.46 -10.37 -0.98 0
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2789 8561 2 O2C9H13 A2B9C13 -184.24 2.96 -10.32 -0.91 0
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2790 8563 1 NS2O6H9C10 AB2C6D9E10 -206.16 2.88 -9.17 -1.78 0
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2791 8564 1 NO8C23H27 AB8C23D27 -257.69 5.81 -8.19 -0.73 0
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2792 8565 1 NO9C11H19 AB9C11D19 -416.29 7.43 -10.25 -0.11 0
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2793 8568 1 NaOCl5C6 ABC5D6 -100.24 8.93 -8.25 -0.72 0
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2794 8569 2 O2H6C7 A2B6C7 -113.22 4.89 -9.15 -0.26 0
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2795 8570 1 O5H14C15 A5B14C15 -165.63 3.96 -9.05 -0.51 0
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2796 8571 1 O5H10C13 A5B10C13 -178.61 1.85 -9.44 -1.09 0
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2797 8573 2 O2C7H7 A2B7C7 -102.86 6.53 -10.53 -1.19 0
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2798 8574 1 SN2O6H14C16 AB2C6D14E16 -204.73 5.14 -9.93 -1.43 0
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2799 8577 1 N4C6H6O7 A4B6C6D7 -54.39 12.18 -10.12 -1.77 0
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2800 8579 1 NO2C17H19 AB2C17D19 -61.39 4.41 -8.84 -0.63 0
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2801 8582 1 PN4O8C10H13 AB4C8D10E13 -337.68 12.64 -9.26 -0.56 0
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2802 8586 2 NO2C10H12 AB2C10D12 -123.7 5.38 -9.53 -0.63 0
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2803 8590 1 ON3C17H25 AB3C17D25 17.21 2.79 -8.9 -0.13 0
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2804 8594 1 NO3H13C18 AB3C13D18 -58.37 5.08 -8.59 -1.08 0
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2805 8595 1 NNaO3H12C18 ABC3D12E18 -115.35 6.82 -8.46 -0.64 0
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2806 8600 1 O7C12H14 A7B12C14 -263.43 8.29 -10.48 -1.85 0
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2807 8602 1 ClNO2C10H10 ABC2D10E10 -73.26 3.04 -9.5 -0.68 0
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2808 8607 1 NSO2Cl3H4C9 ABC2D3E4F9 -37.52 5.55 -9.6 -1.69 0
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2809 8620 1 HSCl5C6 ABC5D6 0.34 1.14 -9.23 -1.36 0
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2810 8626 1 N2Na4S5O14H28C30 A2B4C5D14E28F30 -742.14 20.75 -8.18 -0.15 0
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2811 8627 1 N2S5O14C30H32 A2B5C14D30E32 -486.86 6.01 -9.35 -0.84 0
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2812 8629 1 N2P2C15O17H24 A2B2C15D17E24 -866.54 9.44 -9.9 -0.46 0
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2813 8630 1 NCl2O2H5C7 AB2C2D5E7 -78.42 6.02 -9.34 -1.19 0
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2814 8631 1 I2O3H4C7 A2B3C4D7 -71.71 6.12 -9.79 -1.94 0
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2815 8632 1 O7H10C18 A7B10C18 -169.03 9.44 -10.5 -1.94 0
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2816 8635 1 NO2C8H9 AB2C8D9 -67.93 1.14 -8.68 -0.35 0
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2817 8642 1 FPN2O8C9H12 ABC2D8E9F12 -451.55 8.02 -9.99 -0.82 0
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2819 8648 1 ClNOC10H16 ABCD10E16 -71.33 3.26 -9.26 -0.11 0
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2820 8649 1 SN2O6C20H32 AB2C6D20E32 -253.92 11.12 -9.32 -0.1 0
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2821 8650 1 NOC10H15 ABC10D15 -30.19 2.87 -8.96 -0.04 0
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2822 8658 2 OC4H4 AB4C4 -45.52 5.3 -9.35 -0.59 0
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2823 8659 1 NCl2O3H7C12 AB2C3D7E12 0.27 4.69 -9.58 -1.69 0
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2824 8660 1 SO4H8C9 AB4C8D9 -145.69 9.67 -9.63 -1.47 0
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2825 8661 1 S2N4O9C23H26 A2B4C9D23E26 -269.62 33.99 -9.07 -2.95 0
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2826 8662 1 ON4H20C21 AB4C20D21 114.41 2.19 -4.25 -2.83 2
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2827 8663 1 OH8C10 AB8C10 -5.54 0.96 -8.75 -0.53 0