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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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56860 22394457 1 ClSO2N5C27H30 ABC2D5E27F30 47.76 4.17 -8.63 -1.16 0
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56861 22394463 1 ClFSN2O3H10C17 ABCD2E3F10G17 -37.58 1.81 -9.22 -1.42 0
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56862 22394481 1 ClSN2F3O4H10C18 ABC2D3E4F10G18 -194.9 1.99 -9.43 -1.53 0
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56863 22394482 1 O2N3C25H31 A2B3C25D31 -36.51 3.67 -8.47 -0.24 0
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56864 22394489 1 ClN4C9H13 AB4C9D13 25.47 5.94 -9.46 -0.57 0
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56865 22394498 1 ON4C10H16 AB4C10D16 -23.81 5.31 -9.27 0.6 0
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56866 22394556 1 NSO5C18H19 ABC5D18E19 -157.19 5.06 -9.68 -1.24 0
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56867 22394559 1 ClON2H11C14 ABC2D11E14 9.42 1.82 -8.72 -1.21 0
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56868 22394568 2 NOH4C6 ABC4D6 4.66 3.61 -9.11 -1.52 0
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56869 22394578 1 N3O3H13C15 A3B3C13D15 3.25 3.32 -8.8 -1.56 0
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56870 22394588 1 OSN2H8C12 ABC2D8E12 43.7 3.14 -9.04 -1.39 0
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56871 22394593 2 NOH4C6 ABC4D6 28.24 2.29 -9.07 -1.24 0
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56872 22394594 1 O2N3H11C17 A2B3C11D17 130.53 6.82 -9.12 -2.2 -1
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56873 22394595 1 NO2C8H10 AB2C8D10 -28.43 5.24 0.0 0.0 0
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56874 22394626 1 BrNOSH8C13 ABCDE8F13 40.99 2.95 -9.04 -1.18 0
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56875 22394633 1 ClFNH3O3C7 ABCD3E3F7 -56.78 2.81 -10.86 -1.95 0
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56876 22394661 1 BrSO2N5H16C17 ABC2D5E16F17 31.48 4.74 -8.35 -0.47 0
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56877 22394665 1 SO2N5H21C23 AB2C5D21E23 58.35 5.16 -8.31 -0.9 0
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56878 22394666 1 BrSO2N5H22C25 ABC2D5E22F25 51.24 6.56 -8.24 -0.99 0
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56879 22394670 1 ClSO2N5H18C19 ABC2D5E18F19 11.79 6.03 -8.22 -1.03 0
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56880 22394681 1 FSO2N5C24H24 ABC2D5E24F24 -16.29 8.27 -8.49 -1.36 0
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56881 22394682 1 FSO2N5C15H20 ABC2D5E15F20 -67.1 5.62 -8.71 -0.31 0
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56882 22394689 1 ClSO2N5C18H26 ABC2D5E18F26 -43.84 5.61 -8.49 -0.46 0
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56883 22394690 1 ClSO2N5C15H20 ABC2D5E15F20 -28.6 4.27 -8.46 -0.5 0
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56884 22394692 1 FSO2N5C17H22 ABC2D5E17F22 -44.43 6.3 -8.56 -0.42 0
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56885 22394702 1 ClSO3N5H24C26 ABC3D5E24F26 21.72 5.89 -8.46 -0.73 0
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56886 22394709 1 FSO2N5C12H14 ABC2D5E12F14 -53.93 4.56 -8.45 -0.42 0
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56887 22394734 1 NF3O4C22H26 AB3C4D22E26 -328.9 3.39 -9.59 -0.28 0
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56888 22394735 1 NF3O4C22H28 AB3C4D22E28 -354.3 1.62 -9.45 -0.76 0
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56889 22394743 1 ClNO4C21H26 ABC4D21E26 -179.43 2.2 -9.49 -0.08 0
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56890 22394748 2 CH2O2 AB2C2 -38.25 2.7 -10.24 -0.66 0
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56891 22394750 1 O4C7H14 A4B7C14 -69.43 3.03 -10.0 -0.09 0
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56892 22394753 1 NO3C10H15 AB3C10D15 -112.11 4.75 -8.55 0.06 0
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56893 22394755 1 NO4C12H23 AB4C12D23 -216.71 2.23 -9.85 -0.21 0
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56894 22394763 1 NO2C19H25 AB2C19D25 -69.46 1.07 -9.33 0.22 0
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56895 22394774 1 S2N4O6C19H24 A2B4C6D19E24 -188.94 7.93 -9.07 -1.19 0
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56896 22394784 1 N3S3O6C18H25 A3B3C6D18E25 -216.2 8.62 -8.8 -0.78 0
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56897 22394789 1 SN4O6C18H22 AB4C6D18E22 -179.36 6.65 -9.67 -0.76 0
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56898 22394797 1 NSO2C13H21 ABC2D13E21 -85.72 3.07 -8.78 0.22 0
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56899 22394798 1 S2N3O6C19H27 A2B3C6D19E27 -210.4 6.19 -9.35 -1.07 0
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56900 22394801 1 BrSN2O4C27H37 ABC2D4E27F37 -153.49 5.27 -8.26 -0.89 0
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56901 22394802 1 S2N4O5C19H24 A2B4C5D19E24 -111.15 7.04 -9.56 -1.05 0
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56902 22394803 1 SN4O6C20H26 AB4C6D20E26 -187.49 5.31 -9.51 -0.88 0
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56903 22394809 1 S2N3O6C18H25 A2B3C6D18E25 -214.99 4.08 -9.36 -1.15 0
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56904 22394812 1 S2N3O5C20H29 A2B3C5D20E29 -191.08 4.5 -9.23 -1.03 0
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56905 22394824 1 S2N5O5C17H21 A2B5C5D17E21 -128.16 8.13 -9.91 -1.33 0
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56906 22394825 1 S2N3O6C17H23 A2B3C6D17E23 -210.97 5.35 -9.5 -1.06 0
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56907 22394841 1 NO2C14H23 AB2C14D23 -92.9 2.98 -9.58 0.16 0
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56908 22394855 1 S2N3O7C18H25 A2B3C7D18E25 -256.06 4.74 -8.77 -0.51 0
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56909 22394856 1 SN3O7C20H29 AB3C7D20E29 -274.94 4.34 -8.94 -0.72 0
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56910 22394857 1 SN3O7C21H31 AB3C7D21E31 -275.07 5.02 -8.86 -0.78 0
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56911 22394858 1 SN2O5C29H42 AB2C5D29E42 -224.47 6.0 -8.45 -0.54 0
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56912 22394859 1 N2O5C28H40 A2B5C28D40 -219.96 3.35 -9.3 -0.3 0
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56913 22394860 1 SN4O7C19H24 AB4C7D19E24 -232.25 6.03 -9.13 -0.72 0
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56914 22394861 1 SN4O6C20H26 AB4C6D20E26 -152.96 3.0 -9.58 -0.68 0
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56915 22394871 1 S2N4O6C17H20 A2B4C6D17E20 -186.21 10.55 -8.96 -0.87 0
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56916 22394875 1 NF2O4C15H21 AB2C4D15E21 -281.85 2.89 -10.08 -0.62 0
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56917 22394877 1 SN2O4C29H42 AB2C4D29E42 -180.67 3.4 -8.78 -0.64 0
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56918 22394879 1 S2N3O7C17H23 A2B3C7D17E23 -255.38 7.7 -8.84 -0.86 0
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56919 22394886 1 SN3O6C21H31 AB3C6D21E31 -232.1 5.49 -9.62 -0.71 0
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56920 22394889 1 SN4O6C19H24 AB4C6D19E24 -186.0 9.58 -9.51 -0.97 0
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56921 22394890 1 SN3O6C21H27 AB3C6D21E27 -165.59 4.16 -9.33 -0.72 0
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56922 22394893 1 S2N4O5C18H22 A2B4C5D18E22 -144.94 5.3 -9.63 -1.13 0
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56923 22394894 1 N3O4C28H37 A3B4C28D37 -145.31 5.36 -9.44 -0.53 0
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56924 22394896 1 N3O5C28H37 A3B5C28D37 -193.52 4.68 -9.4 -0.69 0
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56925 22394897 1 NF2O3H9C10 AB2C3D9E10 -187.76 2.38 -10.09 -0.66 0
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56926 22394898 1 SN5O6C16H19 AB5C6D16E19 -164.4 6.22 -10.01 -0.99 0
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56927 22394899 1 S2N3O6C19H27 A2B3C6D19E27 -231.87 9.5 -8.81 -0.82 0
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56928 22394902 1 N3O5C27H35 A3B5C27D35 -193.82 8.08 -9.23 -0.99 0
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56929 22394903 1 S2N4O6C19H24 A2B4C6D19E24 -191.16 8.0 -9.12 -1.07 0
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56930 22394904 1 N3S3O5C19H27 A3B3C5D19E27 -180.38 7.8 -8.51 -0.78 0
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56931 22394906 1 S2N3O7C19H27 A2B3C7D19E27 -257.85 4.89 -8.62 -0.56 0
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56932 22394907 1 SN2O5C28H40 AB2C5D28E40 -220.72 3.41 -8.35 -0.61 0
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56933 22394908 1 SN3O6C20H29 AB3C6D20E29 -229.96 4.02 -9.5 -0.74 0
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56934 22394909 1 SN4O7C19H24 AB4C7D19E24 -229.3 8.25 -9.16 -0.88 0