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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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8746 80880 1 PO3C15H33 AB3C15D33 -255.42 1.28 -10.36 1.09 0
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8747 80918 1 ClNaSN3O6H13C18 ABCD3E6F13G18 -198.65 5.71 -8.32 -1.68 0
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8748 80929 1 N2O4H20C41 A2B4C20D41 42.79 6.87 -8.79 -2.17 0
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8749 80949 1 SN3O5H11C12 AB3C5D11E12 -55.97 8.61 -9.39 -2.11 0
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8750 80958 1 ClN4O4H17C24 AB4C4D17E24 33.34 7.06 -8.58 -2.33 0
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8751 81018 1 HON2Cl3C5 ABC2D3E5 5.88 2.11 -10.58 -2.32 0
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8752 81039 2 OC5H9 AB5C9 -129.08 1.97 -10.41 1.04 0
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8753 81045 1 O2C15H30 A2B15C30 -158.51 1.52 -10.73 0.86 0
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8754 81051 1 NCl2H3C7 AB2C3D7 40.88 2.25 -9.99 -1.32 0
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8755 81053 1 ClN2O2H3C7 AB2C2D3E7 50.63 6.76 -10.62 -2.09 0
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8756 81140 3 NC8H9 AB8C9 74.02 1.56 -8.08 0.29 0
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8757 81197 1 NO2C9H13 AB2C9D13 -57.24 2.17 -11.3 -1.15 0
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8758 81291 1 NO5C6H15 AB5C6D15 -257.3 3.52 -10.5 0.84 0
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8759 81295 2 NOC3H5 ABC3D5 -95.68 4.0 -10.05 0.0 0
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8760 81296 1 NO2S2C13H19 AB2C2D13E19 -67.07 3.16 -8.57 -0.27 0
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8762 81307 1 O3C18H34 A3B18C34 -198.9 1.14 -9.84 0.5 0
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8763 81309 1 PO3C10H23 AB3C10D23 -235.57 1.35 -10.68 1.28 0
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8764 81310 1 NO4H21C24 AB4C21D24 -51.16 4.55 -7.92 -0.92 0
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8765 81314 1 NOSC6H13 ABCD6E13 -44.38 2.09 -9.29 -0.34 0
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8766 81316 1 O4C11H12 A4B11C12 -140.43 1.71 -8.83 -0.23 0
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8767 81317 2 O2C6H7 A2B6C7 -145.35 1.78 -8.84 -0.22 0
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8768 81320 1 Cl2O4C7H10 A2B4C7D10 -200.59 3.08 -11.6 -1.0 0
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8769 81321 2 ClNS2H8O8C14 ABC2D8E8F14 -508.43 3.18 -8.01 -2.26 0
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8770 81325 1 O3C9H10 A3B9C10 -109.12 0.82 -10.09 -0.77 0
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8771 81343 1 O2N3H11C13 A2B3C11D13 9.39 9.3 -8.83 -1.17 0
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8772 81371 2 SC2N2H5 AB2C2D5 33.88 3.22 -9.38 -0.34 0
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8773 81372 1 N2O2C3Cl3H3 A2B2C3D3E3 -105.71 0.92 -11.19 -1.26 0
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8774 81374 1 NO5H7C8 AB5C7D8 -108.64 9.34 -10.24 -1.67 0
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8775 81375 1 ClNO4C8H8 ABC4D8E8 -178.94 7.65 -9.55 -1.36 0
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8776 81376 1 O3C13H24 A3B13C24 -190.38 3.64 -10.46 0.64 0
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8777 81379 1 BrO3C9H9 AB3C9D9 -75.01 2.66 -8.94 -0.91 0
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8778 81380 1 OSC10H10 ABC10D10 -24.09 1.76 -8.65 -0.73 0
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8779 81382 1 O3H20C27 A3B20C27 -20.83 1.97 -8.48 -0.52 0
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8780 81383 1 Na2S2N6O7H24C31 A2B2C6D7E24F31 -179.08 7.58 -8.42 -0.87 0
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8781 81414 1 O4C9H16 A4B9C16 -208.81 3.61 -10.99 0.78 0
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8782 81416 1 SO2C11H22 AB2C11D22 -129.52 3.72 -8.89 0.37 0
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8783 81418 2 ClOSN3C5H10 ABCD3E5F10 -121.35 1.89 -9.42 -0.29 0
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8784 81421 1 NSO4C12H19 ABC4D12E19 -163.31 7.71 -9.54 -0.61 0
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8785 81422 1 AsN3O3C12H12 AB3C3D12E12 -8.52 4.77 -8.56 -1.12 0
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8786 81436 1 N2C7H10 A2B7C10 32.22 3.75 -9.33 -0.07 0
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8787 81468 1 N5O5H19C26 A5B5C19D26 -69.69 10.11 -8.32 -1.88 0
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8788 81501 1 N2C13H18 A2B13C18 25.04 2.34 -8.81 0.26 0
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8789 81503 1 BrC4H7 AB4C7 7.71 1.87 -10.51 -0.14 0
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8790 81505 2 OC6H9 AB6C9 -95.06 1.96 -9.43 0.86 0
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8791 81509 1 SiN4O4C8H24 AB4C4D8E24 -269.61 4.19 -9.38 0.02 0
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8792 81526 2 OC5H9 AB5C9 -125.02 4.73 -10.55 0.75 0
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8793 81528 1 N4C13H14 A4B13C14 107.69 4.48 -8.32 -0.62 0
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8794 81606 2 OC7H9 AB7C9 -17.1 3.74 -9.98 0.1 0
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8795 81607 1 NO2C8H11 AB2C8D11 -83.72 2.29 -9.38 0.32 0
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8796 81613 1 C41H84 A41B84 -197.83 0.1 -10.49 4.05 0
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8797 81614 3 INOC7H14 ABCD7E14 -109.28 16.73 -7.77 -1.92 0
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8798 81620 2 OC3H5 AB3C5 -90.91 1.93 -10.0 0.76 0
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8799 81623 1 ClSC7H7 ABC7D7 23.93 3.19 -8.98 -0.49 0
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8800 81626 1 ClNO3C8H8 ABC3D8E8 -116.13 9.58 -9.12 -0.61 0
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8801 81710 1 N2Cl3C20H27 A2B3C20D27 -39.3 4.96 -9.28 -0.25 0
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8802 81712 1 SC15H32 AB15C32 -70.52 1.95 -8.5 0.88 0
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8803 81727 1 N7H10C12 A7B10C12 208.29 5.26 0.0 0.0 1
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8804 81732 1 N3O5C11H13 A3B5C11D13 -123.89 8.08 -9.83 -1.37 0
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8805 81740 1 ClO2C9H11 AB2C9D11 -66.47 3.93 -8.49 -0.09 0
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8806 81771 2 C3N3H4 A3B3C4 72.76 6.75 -8.57 -0.43 0
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8807 81778 1 ClPS2O3C9H12 ABC2D3E9F12 -171.49 3.5 -9.08 -0.76 0
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8808 81781 1 NO3C27H45 AB3C27D45 -193.37 6.13 -9.41 -0.2 0
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8809 81789 1 O3C15H22 A3B15C22 -130.81 3.88 -8.84 -0.79 0
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8810 81796 1 ClN2O2S3H9C13 AB2C2D3E9F13 -2.48 5.27 -8.9 -1.5 0
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8811 81803 2 O3C12H23 A3B12C23 -345.56 5.2 -9.66 0.48 0
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8812 81812 1 NOC7H17 ABC7D17 -62.23 1.11 -8.81 2.24 0
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8813 81850 1 ClO3H7C9 AB3C7D9 -103.64 3.43 -10.73 -1.8 0
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8814 81857 2 NO2C10H12 AB2C10D12 -157.61 6.18 -9.79 -0.5 0
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8815 81863 2 NO2C3H5 AB2C3D5 -173.03 1.81 -10.26 0.08 0
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8816 81867 1 ClNO2H8C14 ABC2D8E14 -24.77 5.88 -9.04 -1.7 0
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8817 81873 1 N2O3C12H12 A2B3C12D12 -99.6 1.12 -9.98 -0.58 0
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8818 81886 2 C5H6 A5B6 19.11 0.88 -9.19 0.39 0
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8819 81894 1 O2C13H18 A2B13C18 -93.08 1.85 -9.37 0.39 0
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8820 81895 1 OBr3H5C8 AB3C5D8 9.61 3.34 -10.16 -1.58 0
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8821 81906 1 SnO3C19H34 AB3C19D34 -139.71 5.46 -9.54 -0.75 0
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8822 81917 1 O3C7H14 A3B7C14 -151.09 4.05 -10.13 0.49 0
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8823 81920 1 PO2S3C7H17 AB2C3D7E17 -182.02 5.08 -8.59 -0.32 0
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8824 81973 1 N4C5H8 A4B5C8 64.11 7.62 -10.76 -0.06 0
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8825 81975 2 N2C7H8 A2B7C8 71.05 4.13 -8.01 -0.32 0
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8826 81977 1 N2O2H18C19 A2B2C18D19 15.04 3.98 -9.42 -0.6 0
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8827 81987 2 OC5H5 AB5C5 -48.6 1.19 -10.31 -1.84 0
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8828 81988 1 ON2C10H14 AB2C10D14 -30.01 1.92 -8.09 0.35 0
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8829 81989 1 O5H8C14 A5B8C14 -143.47 1.72 -9.09 -1.91 0
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8830 81990 1 ClO2H11C14 AB2C11D14 -43.4 4.24 -9.84 -0.74 0
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8831 82087 1 NOC21H45 ABC21D45 -134.28 2.03 -9.26 2.19 0
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8832 82101 1 PC21H21 AB21C21 41.21 1.27 -8.86 0.36 0
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8833 82121 1 N3O8H9C10 A3B8C9D10 -163.6 5.25 -10.44 -2.06 0
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8834 82125 1 NSi2C9H23 AB2C9D23 -83.99 0.28 -8.8 1.3 0
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8835 82141 1 O3C10H12 A3B10C12 -88.35 6.68 -8.51 -0.53 0
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8836 82152 2 OC12H16 AB12C16 -64.62 2.42 -9.3 0.57 0
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8837 82230 1 BeBr2 AB2 -58.04 0.02 -10.89 0.25 0
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8838 82362 1 Na2S2N6O9H22C27 A2B2C6D9E22F27 -154.78 25.03 -8.38 -1.92 0
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8839 82363 1 S2N6O9H24C27 A2B6C9D24E27 -171.37 9.32 -8.66 -1.6 0
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8840 82381 1 NC8H10 AB8C10 48.76 1.92 0.0 0.0 1
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8841 82386 1 NC13H13 AB13C13 39.6 1.44 -9.32 0.08 0
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8842 82387 1 Cl2H3N3C4 A2B3C3D4 28.92 5.04 -9.95 -0.92 0
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8843 82388 1 NaO3N4S4H17C28 AB3C4D4E17F28 -19.25 11.71 -8.62 -1.41 0
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8844 82389 1 O3N4S4H18C28 A3B4C4D18E28 34.44 5.26 -8.6 -1.61 0
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8845 82394 1 ON2C14H30 AB2C14D30 -103.19 3.21 -9.55 1.13 0
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8846 82396 1 OC15H24 AB15C24 -73.33 1.51 -8.45 0.44 0