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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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395826 135026652 1 N3O5H11C14 A3B5C11D14 -78.51 9.84 -9.87 -1.0 0
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395827 135026661 1 N2C23H26 A2B23C26 55.28 2.25 -8.43 0.33 0
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395828 135026664 1 FO5H27C29 AB5C27D29 -181.6 4.32 -9.71 -0.96 0
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395830 135026667 1 NO2H23C27 AB2C23D27 31.05 3.87 -8.35 -0.4 0
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395831 135026669 1 OH18C24 AB18C24 54.92 1.49 -8.17 -0.75 0
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395832 135026670 1 ON3H29C35 AB3C29D35 110.14 2.48 -8.26 -0.86 0
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395833 135026671 1 NC28H29 AB28C29 100.09 1.41 -8.89 -0.2 0
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395834 135026672 1 NO4C19H21 AB4C19D21 -97.27 5.18 -9.69 -0.26 0
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395835 135026673 1 N2O6C27H28 A2B6C27D28 -161.52 0.86 -8.67 0.03 0
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395836 135026674 1 SN2O5C27H28 AB2C5D27E28 -122.44 2.18 -8.58 -0.22 0
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395837 135026675 1 ClN2O4H27C28 AB2C4D27E28 -97.23 2.22 -8.9 -0.39 0
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395838 135026676 1 N2O4C29H30 A2B4C29D30 -91.36 1.56 -8.66 0.02 0
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395839 135026677 1 N3O5C26H29 A3B5C26D29 -76.45 8.34 -9.09 -0.92 0
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395840 135026678 1 N3O4C26H29 A3B4C26D29 -48.13 9.38 -9.2 -1.01 0
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395841 135026679 1 N3O4C23H23 A3B4C23D23 -30.4 11.05 -9.01 -0.82 0
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395842 135026680 1 N2O3C24H26 A2B3C24D26 -60.06 3.47 -8.05 0.04 0
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395843 135026681 1 NC24H25 AB24C25 81.7 1.07 -8.84 0.06 0
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395844 135026683 1 NH19C20 AB19C20 43.73 2.1 -8.84 -0.4 0
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395845 135026684 2 NO2C7H11 AB2C7D11 -201.66 2.64 -9.49 -0.49 0
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395846 135026687 1 NO5C31H31 AB5C31D31 -141.92 7.07 -8.69 -0.13 0
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395847 135026689 1 NO5C21H27 AB5C21D27 -208.16 5.43 -8.64 -0.13 0
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395848 135026698 2 O2N3C12H14 A2B3C12D14 -11.63 1.81 -8.3 -1.11 0
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395849 135026699 1 ClO2N6C22H23 AB2C6D22E23 51.31 2.52 -8.75 -1.3 0
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395850 135026707 1 N2O8C17H32 A2B8C17D32 -374.21 6.84 -9.74 1.1 0
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395851 135026710 1 O2N3C24H27 A2B3C24D27 -23.56 3.94 -9.44 -0.86 0