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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150784 53790480 1 N3O4C19H21 A3B4C19D21 -119.15 6.56 -9.1 -0.8 0
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150785 53790481 1 BrPSCl3O3C16H21 ABCD3E3F16G21 -212.33 3.89 -9.53 -0.73 0
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150786 53790482 1 SN2O5C20H26 AB2C5D20E26 -167.62 3.75 -8.91 -0.73 0
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150787 53790483 1 SCl2N2O2H12C13 AB2C2D2E12F13 -38.66 5.27 -8.53 -1.2 0
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150788 53790484 1 O11C20H30 A11B20C30 -502.36 2.38 -10.35 0.46 0
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150789 53790485 2 NO3C15H16 AB3C15D16 -113.9 1.45 -8.94 -0.63 0
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150790 53790486 1 N2O3C17H24 A2B3C17D24 -133.5 6.06 -9.4 0.24 0
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150791 53790487 1 SN2O3C7H8 AB2C3D7E8 -95.84 6.46 -9.85 -0.98 0
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150792 53790488 1 FSiC16H23 ABC16D23 -10.39 1.99 -7.32 -1.23 0
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150793 53790489 1 SO3N4C11H14 AB3C4D11E14 -90.61 5.31 -9.62 -0.95 0
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150794 53790490 1 O5C20H22 A5B20C22 -182.59 5.74 -9.25 -0.74 0
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150795 53790491 1 SO2C12H18 AB2C12D18 -94.64 2.05 -9.01 0.31 1
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150796 53790492 1 Br2N2S2O8C39H39 A2B2C2D8E39F39 -197.85 7.96 0.0 0.0 0
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150797 53790493 1 SN3O5C13H21 AB3C5D13E21 -236.08 5.71 -9.15 -0.03 0
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150798 53790494 1 FNH28C31 ABC28D31 116.43 7.94 -8.9 -1.34 0
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150799 53790495 1 SiN2H14C16 AB2C14D16 76.07 6.18 -9.88 -0.9 0
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150800 53790496 1 ON2S2C15H26 AB2C2D15E26 -43.68 3.61 -8.82 -1.13 0
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150801 53790497 1 OSC7H10 ABC7D10 -1.61 4.26 -8.78 -0.88 0
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150802 53790498 2 C11H16 A11B16 -14.28 1.35 -9.09 0.51 0
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150803 53790499 1 ClSF2O3C8H13 ABC2D3E8F13 -234.6 5.71 -10.3 -1.11 0
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150804 53790500 1 SCl2N13O14C115H121 AB2C13D14E115F121 76.36 3.35 -8.12 -1.36 0
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150805 53790501 1 ClN2O2H15C18 AB2C2D15E18 31.48 3.34 -8.12 -0.92 0
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150806 53790502 1 N2O2H18C19 A2B2C18D19 31.53 2.05 -7.97 -0.82 0
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150807 53790503 1 SN3O4H17C18 AB3C4D17E18 44.82 3.99 -8.05 -0.91 0
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150808 53790504 1 N3O3H21C25 A3B3C21D25 23.43 6.24 -8.48 -1.28 0
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150809 53790505 1 O2F3C15H19 A2B3C15D19 -258.8 2.06 -10.2 -0.65 0
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150810 53790506 1 N4O5C12H12 A4B5C12D12 -9.9 5.7 -9.5 -1.57 0
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150811 53790507 1 SBr2N2O2H12C19 AB2C2D2E12F19 17.03 3.43 -8.7 -1.13 0
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150812 53790508 1 N4O4C11H22 A4B4C11D22 -184.09 4.31 -9.91 -0.14 0
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150813 53790509 1 O5C39H74 A5B39C74 -373.47 4.57 -10.34 -0.08 0
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150814 53790510 1 SO2C18H18 AB2C18D18 -43.74 2.14 -8.86 -0.6 0
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150815 53790511 1 O3C25H34 A3B25C34 -136.39 7.11 -8.64 -0.56 0
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150816 53790512 1 FN2O3C17H17 AB2C3D17E17 -134.19 7.2 -8.28 -0.21 0
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150817 53790513 1 SN3O5C33H33 AB3C5D33E33 -103.48 5.71 -8.65 -0.61 0
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150818 53790514 2 OC4H8 AB4C8 -103.0 1.36 -8.66 0.79 0
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150819 53790515 1 N5O6C24H29 A5B6C24D29 -173.94 6.02 -9.38 -0.86 0
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150820 53790516 1 IOC27H45 ABC27D45 -105.89 4.34 -9.14 -0.63 0
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150821 53790517 1 NO5C18H23 AB5C18D23 -194.13 2.89 -9.49 -1.13 0
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150822 53790518 1 PO4C36H39 AB4C36D39 -167.06 4.02 -8.97 -0.09 0
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150823 53790519 1 OC20H40 AB20C40 -118.47 3.08 -9.62 0.61 0
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150824 53790520 1 Cl2N2H12C17 A2B2C12D17 51.51 1.76 -8.92 -0.51 0
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150825 53790521 2 C9H14 A9B14 -34.71 0.53 -8.99 1.64 0
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150826 53790522 1 SN2O2H10C11 AB2C2D10E11 -16.68 4.24 -8.88 -0.83 0
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150827 53790523 1 NCl2O4C18H21 AB2C4D18E21 -134.37 2.45 -8.44 -0.8 1
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150828 53790524 1 N7O7C20H28 A7B7C20D28 -198.7 6.24 0.0 0.0 0
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150829 53790525 1 ClO3N5C31H40 AB3C5D31E40 -100.7 6.15 -8.93 -0.38 0
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150830 53790526 1 O3N4H18C20 A3B4C18D20 42.37 8.59 -7.38 -1.22 0
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150831 53790527 1 O5C32H44 A5B32C44 -225.43 4.3 -8.46 -0.49 0
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150832 53790528 1 O5C24H40 A5B24C40 -272.07 2.21 -9.55 -0.55 0
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150833 53790529 1 NOSC16H17 ABCD16E17 19.84 1.42 -9.35 -0.84 0
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150834 53790530 1 S2N4O5C15H28 A2B4C5D15E28 -253.43 6.58 -9.05 -0.23 0
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150835 53790531 1 N2O4H14C15 A2B4C14D15 -130.1 10.7 -8.01 -0.65 0
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150836 53790532 1 F2O2C27H44 A2B2C27D44 -219.35 2.35 -8.37 0.97 0
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150837 53790533 1 ON2C5H12 AB2C5D12 -48.32 4.44 -9.23 1.17 0
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150838 53790534 1 N7C27H29 A7B27C29 195.8 3.98 -9.4 -0.56 0
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150839 53790535 1 BCl3O3H6C7 AB3C3D6E7 -217.04 2.3 -9.73 -0.72 0
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150840 53790536 1 FN4C28H37 AB4C28D37 -14.34 2.56 -8.46 -0.1 0
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150841 53790537 1 N3O8C23H29 A3B8C23D29 -245.56 9.19 -9.59 -1.06 0
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150842 53790538 1 ClSN2O2H13C16 ABC2D2E13F16 31.35 3.07 -8.88 -1.16 0
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150843 53790539 1 NO3C17H17 AB3C17D17 -50.85 1.93 -8.83 -0.38 0
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150844 53790540 1 O3N6C19H26 A3B6C19D26 -39.09 3.9 -8.61 -0.48 0
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150845 53790541 1 NSO3H21C32 ABC3D21E32 28.27 4.99 -8.71 -1.49 0
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150846 53790542 1 N6O7C33H36 A6B7C33D36 -197.65 10.52 -9.11 -1.24 0
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150847 53790544 1 O2C19H26 A2B19C26 -76.07 2.88 -8.76 0.42 0
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150848 53790545 1 C25H52 A25B52 -103.12 0.11 -9.75 3.91 0
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150849 53790546 1 NOSH13C15 ABCD13E15 26.9 2.13 -8.86 -0.55 0
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150850 53790547 8 C2H3 A2B3 -6.22 0.64 -9.28 0.45 0
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150851 53790548 1 ON4C12H14 AB4C12D14 45.87 4.7 -9.52 -1.15 0
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150852 53790549 1 SO4N6C45H58 AB4C6D45E58 -107.96 7.75 -8.62 -0.72 0
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150853 53790550 1 O7N8C43H62 A7B8C43D62 -312.61 3.12 -9.02 -0.52 0
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150854 53790551 1 NO6C13H23 AB6C13D23 -306.84 2.05 -10.14 0.19 0
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150855 53790552 1 NO6C12H15 AB6C12D15 -162.78 7.08 -9.64 -1.4 0
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150856 53790553 1 BrSO2H7C11 ABC2D7E11 -39.91 4.24 -9.23 -1.67 0
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150857 53790554 1 O2C19H24 A2B19C24 -75.53 0.44 -9.27 0.35 0
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150858 53790555 1 ON3H13C16 AB3C13D16 50.2 1.63 -9.01 -1.01 0
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150859 53790556 1 S4O5N7C17H17 A4B5C7D17E17 -19.87 6.64 -8.84 -1.11 0
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150860 53790557 1 NF3O4C13H14 AB3C4D13E14 -325.9 5.59 -10.02 -0.56 0
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150861 53790558 2 O2N3H16C17 A2B3C16D17 17.64 7.76 -8.55 -1.17 0
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150862 53790559 2 OC12H21 AB12C21 -147.67 1.89 -8.87 0.21 0
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150863 53790560 1 O9C22H22 A9B22C22 -319.0 6.25 -8.9 -1.14 0
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150864 53790561 1 NO7C29H29 AB7C29D29 -223.95 4.69 -9.62 -0.44 0
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150865 53790562 1 BrN2O4C14H19 AB2C4D14E19 -181.22 8.13 -9.07 -0.63 0
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150866 53790563 1 OF2C27H40 AB2C27D40 -191.31 2.95 -9.7 -0.76 0
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150867 53790564 1 ClO3N4C25H25 AB3C4D25E25 -23.89 2.33 -8.38 -0.69 0
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150868 53790565 1 ClO2N4C17H17 AB2C4D17E17 -4.09 3.77 -8.85 -0.53 0
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150869 53790566 1 BrC11H19 AB11C19 104.62 2.22 -9.52 0.01 0
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150870 53790567 1 NO2C30H63 AB2C30D63 -181.04 5.0 -9.32 0.82 0
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150871 53790568 1 NO3C16H19 AB3C16D19 -79.89 3.77 -8.95 -0.35 0
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150872 53790569 2 OC9H12 AB9C12 -56.99 7.49 -9.03 -1.11 0
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150873 53790570 1 N2O7H12C14 A2B7C12D14 -229.65 6.51 -10.82 -1.81 0
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150874 53790571 1 BrNPS2O5C15H19 ABCD2E5F15G19 -31.53 4.12 -8.6 -1.8 0
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150875 53790572 1 O5C18H26 A5B18C26 -235.11 2.34 -8.76 0.17 0
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150876 53790573 1 ClO3C11H11 AB3C11D11 -90.63 1.49 -8.66 -0.28 0
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150877 53790574 1 NF4C26H29 AB4C26D29 -154.79 6.94 -9.7 -0.81 0
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150878 53790575 1 NO4H23C27 AB4C23D27 -5.74 9.39 -9.04 -1.21 0
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150879 53790576 1 Br2O3C8H8 A2B3C8D8 -123.87 4.25 -10.8 -1.4 0
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150880 53790577 1 NO2C10H13 AB2C10D13 -50.41 1.86 -8.62 0.22 0
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150881 53790578 2 NOCl2C32H38 ABC2D32E38 -85.9 5.86 -8.05 -1.3 0
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150882 53790579 1 ClO2N3C21H24 AB2C3D21E24 -29.34 3.89 -8.68 -1.05 0
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150883 53790580 1 O3N4C24H26 A3B4C24D26 -67.0 2.74 -8.37 -0.16 0