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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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288650 104322965 2 NOC6H10 ABC6D10 -89.19 2.54 -9.29 0.81 0
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288651 104322992 1 BrNO3C16H20 ABC3D16E20 -110.6 3.83 -7.96 -0.1 0
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288652 104322997 1 NO4C15H21 AB4C15D21 -163.5 1.24 -9.11 -0.27 0
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288653 104323000 1 N2O2C15H26 A2B2C15D26 -121.35 2.54 -9.15 0.99 0
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288654 104323021 1 N2O4C13H18 A2B4C13D18 -131.81 2.94 -9.26 -0.53 0
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288655 104323051 1 NOCl2C10H15 ABC2D10E15 -61.73 2.88 -9.12 0.01 0
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288656 104323064 1 N2O2C13H24 A2B2C13D24 -100.6 3.17 -8.71 2.1 0
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288657 104323072 1 NO2C13H19 AB2C13D19 2.04 16.57 -7.14 -2.28 0
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288658 104323096 1 N2O2C17H20 A2B2C17D20 -11.17 3.8 -9.23 -0.31 0
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288659 104323100 1 ClN2O2C16H21 AB2C2D16E21 -91.66 6.07 -9.08 -0.25 0
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288660 104323102 1 BrFN2O2C15H18 ABC2D2E15F18 -120.25 5.88 -9.01 -0.51 0
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288661 104323141 1 ON4C13H22 AB4C13D22 -25.95 2.74 -9.36 0.47 0
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288662 104323163 1 ClNOSC12H16 ABCDE12F16 -32.39 2.84 -9.06 -0.38 0
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288663 104323168 1 N2O2C11H16 A2B2C11D16 -35.38 2.77 -9.26 0.04 0
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288664 104323174 1 NO2C12H17 AB2C12D17 -66.64 2.83 -9.01 0.56 0
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288665 104323192 1 SO2N3C15H19 AB2C3D15E19 -39.89 8.02 -9.16 -0.94 0
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288666 104323201 1 ON3C16H21 AB3C16D21 -12.93 3.52 -8.78 -0.37 0
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288667 104323214 1 NO2C12H21 AB2C12D21 -106.62 4.32 -8.97 2.32 0
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288668 104323216 1 NOC13H25 ABC13D25 -87.11 2.1 -8.73 2.67 0
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288669 104323249 1 N2O2C11H20 A2B2C11D20 -103.88 5.31 -9.14 1.08 0
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288670 104323252 1 FNOC14H18 ABCD14E18 -81.59 2.05 -8.91 0.07 0
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288671 104323255 1 N3O3C13H23 A3B3C13D23 -164.92 2.17 -9.5 0.19 0
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288672 104323282 1 ON6C13H22 AB6C13D22 -10.38 4.3 -8.88 0.03 0
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288673 104323330 1 NOC14H25 ABC14D25 -85.06 2.09 -8.67 2.68 0
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288674 104323333 1 ClNOC14H18 ABCD14E18 -44.25 1.98 -8.9 -0.04 0
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288675 104323350 1 FNO2C15H20 ABC2D15E20 -120.43 2.3 -8.79 -0.02 0
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288676 104323353 1 ClNO2C15H20 ABC2D15E20 -81.11 3.0 -8.9 -0.09 0
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288677 104323371 1 Cl2N2O2C15H18 A2B2C2D15E18 -96.02 5.68 -9.04 -0.48 0
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288678 104323374 1 SO2N4C14H18 AB2C4D14E18 -41.49 8.15 -8.8 -0.48 0
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288679 104323383 1 ClNO2C16H20 ABC2D16E20 -85.26 2.24 -8.82 -0.18 0
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288680 104323386 1 NOC13H25 ABC13D25 -85.63 2.13 -8.7 2.68 0
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288681 104323422 1 N2O2C17H24 A2B2C17D24 -75.53 5.47 -8.79 0.24 0
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288682 104323429 1 NOSC12H17 ABCD12E17 -28.01 2.86 -8.86 -0.06 0
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288683 104323483 1 SO2N3C14H17 AB2C3D14E17 2.57 4.45 -9.16 -0.85 0
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288684 104323500 1 SN3O3C12H17 AB3C3D12E17 -100.7 3.05 -9.22 -0.72 0
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288685 104323570 2 NOC8H11 ABC8D11 -84.99 4.36 -8.43 0.08 0
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288686 104323578 1 F2N2O2C15H18 A2B2C2D15E18 -164.55 4.03 -8.79 -0.6 0
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288687 104323780 1 ON2C18H34 AB2C18D34 -87.02 2.7 -8.55 2.62 0
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288688 104323843 1 ON2C15H28 AB2C15D28 -78.09 1.38 -8.8 2.58 0
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288689 104323860 1 ClNO2C16H22 ABC2D16E22 -95.56 3.72 -8.86 -0.28 0
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288690 104323898 1 NO2C14H27 AB2C14D27 -129.72 1.23 -8.74 2.57 0
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288691 104323930 2 ON2C7H10 AB2C7D10 -48.27 4.63 -9.21 -0.72 -1
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288692 104323957 1 BNOF3C8H14 ABCD3E8F14 -320.26 8.98 0.0 0.0 0
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288693 104323990 1 ON2C16H22 AB2C16D22 -33.24 3.32 -8.34 0.47 0
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288694 104324002 1 NOSC9H17 ABCD9E17 -60.87 3.36 -8.99 0.45 0
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288695 104324013 1 ON4C11H16 AB4C11D16 -16.61 1.34 -8.71 -0.21 0
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288696 104324017 1 BrON4C14H21 ABC4D14E21 -29.75 4.84 -8.71 -0.12 0
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288697 104324020 1 ON4C15H24 AB4C15D24 -47.73 4.7 -8.72 0.36 0
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288698 104324023 1 ON4C15H22 AB4C15D22 -11.46 5.38 -8.57 0.19 0
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288699 104324028 1 FON4C11H15 ABC4D11E15 -61.36 1.83 -9.01 -0.37 0