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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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54901 17389511 1 S2N3O4C9H9 A2B3C4D9E9 -86.14 5.77 -9.63 -1.12 0
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54902 17389512 1 OCl2N3C10H15 AB2C3D10E15 -69.68 5.7 -9.67 -0.87 0
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54903 17389514 1 BNO3C11H12 ABC3D11E12 -149.34 2.34 -8.65 -0.63 0
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54904 17389516 1 NCl2C10H13 AB2C10D13 -30.99 5.65 -9.56 -0.18 0
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54905 17389520 1 SN4O4C9H14 AB4C4D9E14 -155.58 2.58 -9.4 -1.04 0
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54906 17389521 1 BrNO4H8C11 ABC4D8E11 -113.36 6.16 -9.91 -1.56 0
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54907 17389522 1 NSO4C8H15 ABC4D8E15 -174.94 6.64 -9.56 -0.4 0
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54908 17389523 1 ClNC9H20 ABC9D20 -69.76 2.35 -8.84 1.94 0
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54909 17389524 1 NO2S2H23C24 AB2C2D23E24 -7.7 5.18 -8.54 -0.46 -1
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54910 17389525 1 NO2S2C20H24 AB2C2D20E24 13.37 3.63 0.0 0.0 0
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54911 17389527 1 NO2S2C18H19 AB2C2D18E19 -36.46 5.86 -8.37 -0.55 0
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54912 17389528 1 NSO3C14H17 ABC3D14E17 -85.19 5.9 -9.1 -0.49 0
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54913 17389529 1 NSO3C17H23 ABC3D17E23 -99.57 5.92 -9.2 -0.43 0
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54914 17389531 1 NO2S2C20H21 AB2C2D20E21 -15.59 5.77 -9.05 -0.34 0
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54915 17389532 1 NO2S2C16H21 AB2C2D16E21 -56.22 6.22 -9.02 -0.52 0
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54916 17389536 1 NSO3C17H21 ABC3D17E21 -92.94 6.7 -8.58 -0.47 0
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54917 17389537 1 NSO3C19H25 ABC3D19E25 -102.45 4.45 -8.82 -0.27 0
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54918 17389538 1 ClNC8H18 ABC8D18 -72.8 6.21 -10.01 2.01 0
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54919 17389540 1 NO4C11H21 AB4C11D21 -213.68 10.39 -9.52 0.37 0
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54920 17389543 1 BrClNC10H13 ABCD10E13 -18.98 5.65 -9.63 -0.2 0
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54921 17389544 1 ClNC12H18 ABC12D18 -34.87 3.63 -9.06 0.11 0
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54922 17389545 1 BrClFN2C6H7 ABCD2E6F7 -34.79 1.7 -8.99 -0.73 0
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54923 17389546 1 BrCl2N2C6H7 AB2C2D6E7 3.61 3.21 -9.11 -0.68 0
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54924 17389547 1 ClN2C16H17 AB2C16D17 19.18 1.67 -8.7 -0.13 0
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54925 17389548 1 ClN3H12C13 AB3C12D13 48.2 2.43 -8.72 -1.03 0
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54926 17389549 1 ClON3C10H12 ABC3D10E12 -10.65 4.03 -8.65 -0.62 0
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54927 17389551 1 ClN2C11H17 AB2C11D17 -21.16 2.81 -9.01 -0.28 0
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54928 17389552 1 ClON2C9H19 ABC2D9E19 -89.14 6.53 -8.83 1.85 0
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54929 17389556 1 ClSN4O6C12H15 ABC4D6E12F15 -206.9 3.47 -9.31 -1.24 0
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54930 17389557 1 SN4O6C12H16 AB4C6D12E16 -207.8 4.89 -9.5 -1.11 0
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54931 17389558 1 SN5O5C12H17 AB5C5D12E17 -137.67 3.55 -9.38 -0.92 0
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54932 17389561 1 N3O5C13H15 A3B5C13D15 -163.38 5.54 -9.44 -0.8 0
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54933 17389562 1 N2O4C13H24 A2B4C13D24 -187.33 3.49 -8.87 -1.24 0
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54934 17389563 1 KNO4C17H22 ABC4D17E22 -227.62 9.8 -8.67 0.2 0
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54935 17389565 1 ClNO4C12H14 ABC4D12E14 -132.2 5.26 -9.5 -0.94 0
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54936 17389566 1 ClNO3C13H20 ABC3D13E20 -145.25 3.59 -9.32 -0.79 0
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54937 17389567 1 ClNO3C14H16 ABC3D14E16 -95.07 2.85 -9.41 -0.54 0
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54938 17389568 1 IN2H11C14 AB2C11D14 87.1 4.64 -8.83 -0.78 0
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54939 17389569 2 NOC9H10 ABC9D10 -38.26 3.98 -8.4 0.06 0
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54940 17389570 1 ClNO2C11H16 ABC2D11E16 -78.52 5.27 -8.63 -0.42 0
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54941 17389571 1 BrNO2C15H22 ABC2D15E22 -75.26 3.92 -8.63 -0.7 0
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54942 17389572 1 ClN2O4C9H13 AB2C4D9E13 -135.94 6.92 -10.02 -1.3 0
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54943 17389573 1 BrN2O3C10H15 AB2C3D10E15 -87.99 7.09 -9.31 -0.91 0
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54944 17389574 1 BrClN2O2C10H10 ABC2D2E10F10 -70.14 4.29 -8.4 -1.25 0
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54945 17389575 1 NCl2O6C14H15 AB2C6D14E15 -243.83 4.38 -9.63 -1.16 0
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54946 17389576 1 NCl2O2C12H13 AB2C2D12E13 -86.69 2.44 -9.54 -0.46 0
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54947 17389577 1 NCl2O6C14H15 AB2C6D14E15 -243.22 3.13 -9.52 -0.87 0
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54948 17389578 1 NCl2O2C12H13 AB2C2D12E13 -81.09 1.56 -9.33 -0.42 0
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54949 17389580 1 ClNC17H20 ABC17D20 -6.67 2.47 -8.35 -0.06 0
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54950 17389582 1 N3O4C14H17 A3B4C14D17 -109.5 3.12 -8.59 -1.5 0
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54951 17389583 1 ClN2O2C13H17 AB2C2D13E17 -91.7 8.31 -8.35 -0.72 0
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54952 17389585 1 NOC10H15 ABC10D15 -29.42 2.02 -8.78 0.69 0
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54953 17389586 1 S2O4N6C13H20 A2B4C6D13E20 -84.24 7.14 -9.3 -1.55 0
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54954 17389587 1 NO3C14H17 AB3C14D17 -101.46 2.67 -8.49 -0.48 0
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54955 17389588 1 SN4O4C8H12 AB4C4D8E12 -137.31 4.77 -9.83 -1.45 0
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54956 17389589 1 SN4C6H10 AB4C6D10 45.92 4.68 -9.03 -0.3 0
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54957 17389590 1 ClO2N3C14H18 AB2C3D14E18 -82.54 3.62 -9.47 -0.65 0
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54958 17389591 1 SO2N3C12H17 AB2C3D12E17 -68.11 2.78 -9.51 -0.77 0
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54959 17389593 1 SN3O3C12H15 AB3C3D12E15 -110.11 2.55 -9.47 -0.69 0
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54960 17389594 3 NOC3H5 ABC3D5 -152.51 3.28 -10.14 0.03 0
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54961 17389595 1 N3O3C15H19 A3B3C15D19 -122.83 2.28 -9.74 -0.16 0
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54962 17389596 1 Cl2N2O2C11H18 A2B2C2D11E18 -142.73 5.14 -9.94 -0.53 0
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54963 17389597 1 N2O2C11H16 A2B2C11D16 -69.39 5.09 -9.74 -0.08 0
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54964 17389598 1 Cl2N2O2C13H22 A2B2C2D13E22 -148.3 4.98 -9.54 -0.39 0
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54965 17389599 1 N2O2C13H20 A2B2C13D20 -77.88 7.28 -9.36 -0.2 0
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54966 17389600 1 NOF3C13H18 ABC3D13E18 -206.21 2.12 -9.38 -0.72 0
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54967 17389601 2 NC7H11 AB7C11 17.72 2.58 -8.58 0.54 0
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54968 17389602 1 ClNSC12H18 ABCD12E18 -19.32 3.26 -8.72 -0.26 0
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54969 17389603 2 NO2C7H13 AB2C7D13 -188.51 2.83 -8.4 -1.54 0
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54970 17389604 2 NC6H12 AB6C12 -30.8 2.63 -8.49 2.81 0
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54971 17389605 1 N3O4C14H27 A3B4C14D27 -178.18 2.28 -8.52 -1.16 0
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54972 17389606 1 N3C12H25 A3B12C25 -12.46 1.65 -8.0 2.82 0
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54973 17389607 1 NO6C16H21 AB6C16D21 -239.71 2.77 -9.34 -1.16 0
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54974 17389609 1 ClNF3O3H9C12 ABC3D3E9F12 -273.96 7.01 -9.34 -1.05 0
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54975 17389610 1 NBr2O3H9C11 AB2C3D9E11 -98.26 3.56 -9.85 -0.85 0