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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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252600 103112567 1 N3O4C14H19 A3B4C14D19 -160.26 8.22 -9.3 -0.77 0
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252601 103112579 1 N3O4C11H19 A3B4C11D19 -171.94 7.27 -9.88 0.13 0
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252602 103112601 1 O2N5C14H21 A2B5C14D21 -23.01 1.63 -9.79 -0.34 0
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252603 103112605 1 N3O4C13H23 A3B4C13D23 -195.79 3.21 -9.59 0.43 0
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252604 103112612 1 N3O4C13H23 A3B4C13D23 -194.56 4.66 -9.58 0.37 0
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252605 103112616 1 N4O4C13H18 A4B4C13D18 -153.7 6.9 -9.45 -1.12 0
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252606 103112617 1 N3O5C12H21 A3B5C12D21 -225.17 7.75 -9.85 0.36 0
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252607 103112624 1 N3O5C12H21 A3B5C12D21 -239.57 8.46 -9.89 0.0 0
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252608 103112636 1 N3O4C12H21 A3B4C12D21 -188.52 6.99 -9.32 -0.08 0
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252609 103112641 1 N3O4C14H25 A3B4C14D25 -208.93 6.04 -9.67 0.59 0
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252610 103112643 1 N3O4C13H25 A3B4C13D25 -210.76 7.05 -9.81 0.14 0
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252611 103112645 1 SN3O5C12H19 AB3C5D12E19 -188.26 3.06 -10.54 -0.54 0
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252612 103112649 1 O2N3C12H21 A2B3C12D21 -76.57 4.22 -10.12 -0.13 0
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252613 103112651 1 SN3O4C13H23 AB3C4D13E23 -190.81 4.92 -9.37 -0.32 0
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252614 103112655 1 N3O4C12H21 A3B4C12D21 -163.92 5.93 -9.85 0.3 0
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252615 103112674 1 N3O4C12H21 A3B4C12D21 -180.49 6.95 -9.34 0.03 0
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252616 103112676 1 SN3O4C13H23 AB3C4D13E23 -155.3 7.56 -10.06 -0.03 0
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252617 103112677 1 N3O4C13H23 A3B4C13D23 -181.85 4.39 -9.13 0.14 0
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252618 103112687 1 O2N5C14H21 A2B5C14D21 -23.38 6.59 -9.86 -0.09 0
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252619 103112716 1 N3O4C13H23 A3B4C13D23 -199.66 6.81 -9.74 0.2 0
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252620 103112719 1 N3O4C10H19 A3B4C10D19 -195.94 4.95 -9.6 0.33 0
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252621 103112732 1 O3N5C11H15 A3B5C11D15 -22.49 3.52 -10.45 -1.2 0
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252622 103112745 2 N2O2C6H9 A2B2C6D9 -140.03 2.69 -10.5 -0.53 0
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252623 103112747 1 O3N5C13H19 A3B5C13D19 -37.92 4.09 -10.38 -1.0 0
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252624 103112770 1 N3O5C13H15 A3B5C13D15 -101.15 6.0 -10.39 -1.63 0
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252625 103112785 1 O3N4C13H18 A3B4C13D18 -45.03 3.44 -10.21 -0.48 0
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252626 103112786 1 O3N5C12H17 A3B5C12D17 -35.05 4.2 -10.23 -0.9 0
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252627 103112789 1 O3N4C13H22 A3B4C13D22 -107.13 3.05 -9.85 -0.18 0
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252628 103112790 1 N3O5C13H17 A3B5C13D17 -126.64 5.26 -10.29 -1.46 0
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252629 103112792 1 N3O3C13H21 A3B3C13D21 -110.36 3.54 -9.96 -0.24 0
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252630 103112804 1 N3O3C15H25 A3B3C15D25 -127.13 4.71 -10.08 -0.17 0
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252631 103112805 1 N3O3C14H25 A3B3C14D25 -125.54 5.33 -10.04 -0.02 0
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252632 103112806 3 NO2C4H5 AB2C4D5 -167.05 3.13 -10.32 -1.45 0
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252633 103112819 1 SN3O4C12H21 AB3C4D12E21 -138.69 9.15 -10.11 -0.14 0
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252634 103112830 1 O2N3C15H27 A2B3C15D27 -85.14 4.86 -10.25 -0.28 0
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252635 103112842 1 O2N3C12H19 A2B3C12D19 -39.16 4.64 -10.25 -0.26 0
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252636 103112856 1 O4N5C12H19 A4B5C12D19 -118.26 3.1 -10.17 -0.63 0
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252637 103112875 1 OSN3C10H17 ABC3D10E17 -38.61 2.48 -8.19 0.22 0
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252638 103112878 1 OSN3C12H21 ABC3D12E21 -42.61 8.01 -8.18 0.17 0
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252639 103112882 1 N3O3C13H17 A3B3C13D17 -57.74 3.98 -9.9 -0.45 0
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252640 103112885 1 N3O3C11H19 A3B3C11D19 -96.55 3.2 -10.21 -0.41 0
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252641 103112895 1 SN3O3C13H21 AB3C3D13E21 -120.75 3.0 -9.11 -0.73 0
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252642 103112902 1 N3O3C15H19 A3B3C15D19 -72.86 3.49 -9.54 -0.52 0
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252643 103112905 1 O3N4C12H22 A3B4C12D22 -131.21 4.73 -9.26 -0.06 0
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252644 103112913 1 ClN2O2C14H21 AB2C2D14E21 -94.44 9.15 -8.69 0.2 0
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252645 103112915 1 SO2N4C14H20 AB2C4D14E20 -28.66 5.04 -9.79 -0.9 0
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252646 103112918 1 ClN3O3C10H18 AB3C3D10E18 -165.0 2.54 -9.61 -0.35 0
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252647 103112930 1 OCl2N5C9H13 AB2C5D9E13 -9.84 4.15 -9.71 -1.16 0
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252648 103112948 1 FON3C11H16 ABC3D11E16 -71.97 3.92 -9.39 -0.35 0
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252649 103112957 1 O3N4C14H24 A3B4C14D24 -117.32 3.45 -10.29 -0.33 0