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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194745 78584860 1 NO2S2H19C20 AB2C2D19E20 21.78 1.45 -8.17 -1.0 0
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194746 78584861 1 NO2S2H17C18 AB2C2D17E18 15.22 1.91 -8.15 -1.11 0
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194747 78584862 1 NSO4C21H21 ABC4D21E21 -61.25 1.6 -8.19 -0.91 0
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194748 78584863 1 N2O3C20H20 A2B3C20D20 -35.65 3.24 -8.93 -0.9 0
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194749 78585101 1 OCl2C19H20 AB2C19D20 -41.7 3.74 -9.52 -1.12 1
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194750 78585354 1 FN3O5C19H21 AB3C5D19E21 -203.96 3.42 0.0 0.0 0
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194751 78585707 1 BrFNO3H13C17 ABCD3E13F17 -108.12 3.69 -9.26 -1.52 0
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194752 78585708 1 NSCl2O3H11C16 ABC2D3E11F16 -35.83 6.44 -9.39 -1.31 0
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194753 78585709 1 BrN2O4H11C16 AB2C4D11E16 -26.99 3.82 -9.66 -1.36 0
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194754 78586464 1 F2N2O3C20H20 A2B2C3D20E20 -199.45 2.64 -9.36 -0.84 0
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194755 78586465 1 SN2O2C22H26 AB2C2D22E26 -73.85 7.14 -8.35 -0.16 0
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194756 78586466 1 FSN2O2C21H23 ABC2D2E21F23 -59.35 1.25 -8.08 -0.5 0
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194757 78586467 1 FSO2N3C22H24 ABC2D3E22F24 -95.76 6.99 -8.9 -0.93 0
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194758 78586913 1 FOS2N3C20H20 ABC2D3E20F20 29.83 2.08 -8.28 -0.66 0
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194759 78587787 1 ON3C16H17 AB3C16D17 30.97 4.34 -8.72 -0.95 0
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194760 78587788 1 FN2O4C23H27 AB2C4D23E27 -207.39 1.5 -8.77 -0.78 1
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194761 78587789 1 ON6C22H23 AB6C22D23 91.53 9.09 0.0 0.0 0
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194762 78587870 1 N3O4C18H19 A3B4C18D19 -125.04 6.03 -8.73 -0.86 0
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194763 78587871 1 N3O4C17H17 A3B4C17D17 -125.97 5.79 -8.82 -0.82 0
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194764 78587872 1 N2O3C24H28 A2B3C24D28 -91.92 1.94 -8.78 -0.71 0
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194765 78587897 2 NO2C5H7 AB2C5D7 -151.07 3.99 -9.72 -0.72 0
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194766 78587898 1 N2O4C15H22 A2B4C15D22 -178.92 3.6 -9.22 -0.69 0
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194767 78587899 1 ClFNO3H11C12 ABCD3E11F12 -150.65 5.85 -9.16 -0.75 0
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194768 78587900 1 N2O6C15H16 A2B6C15D16 -177.14 3.29 -9.0 -0.49 0
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194769 78587901 1 ClN2O5H11C12 AB2C5D11E12 -106.42 9.76 -9.71 -1.53 0
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194770 78587902 1 SN2O5C19H20 AB2C5D19E20 -144.32 10.02 -8.63 -0.84 0
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194771 78587903 1 INO3C12H12 ABC3D12E12 -79.1 4.36 -8.98 -0.9 0
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194772 78587904 1 N2O5C13H14 A2B5C13D14 -108.9 9.26 -9.65 -1.3 0
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194773 78588305 1 SN2O4C16H22 AB2C4D16E22 -161.82 7.05 -8.46 -0.5 0
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194774 78588306 1 SN2O4C19H28 AB2C4D19E28 -180.38 3.63 -8.57 -0.43 0
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194775 78588307 1 SN2O4C18H26 AB2C4D18E26 -174.37 9.12 -8.91 -0.57 0
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194776 78588544 1 N2O5C16H16 A2B5C16D16 -158.56 6.24 -9.36 -0.48 0
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194777 78588545 2 NO2H10C11 AB2C10D11 -74.71 9.55 -9.07 -0.67 0
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194778 78588551 1 Cl2N3O4H15C18 A2B3C4D15E18 -90.3 3.5 -9.54 -1.18 0
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194779 78588608 1 SN2O6C19H24 AB2C6D19E24 -208.62 6.76 -9.62 -0.72 0
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194780 78588780 1 BrNO4H14C18 ABC4D14E18 -72.38 6.89 -9.48 -1.36 0
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194781 78588798 1 N2O7H18C21 A2B7C18D21 -192.93 6.27 -8.96 -1.08 0
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194782 78589456 1 FSO3N5H18C19 ABC3D5E18F19 -38.6 6.82 -8.95 -0.99 0
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194783 78589565 1 BrN3O5H14C16 AB3C5D14E16 -94.96 7.35 -9.07 -1.47 0
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194784 78589566 1 Cl2N4O5H12C15 A2B4C5D12E15 -98.08 5.49 -9.44 -1.35 0
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194785 78589567 1 ClN3O6H16C17 AB3C6D16E17 -141.04 11.2 -8.77 -1.14 0
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194786 78589568 1 N3O5H19C22 A3B5C19D22 -73.28 7.92 -8.99 -1.26 0
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194787 78589569 1 Cl2N3O5H13C16 A2B3C5D13E16 -115.1 6.44 -9.23 -1.4 0
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194788 78589788 1 N3O5C19H19 A3B5C19D19 -39.19 8.74 -9.46 -1.88 0
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194789 78589789 1 N2O3C15H18 A2B3C15D18 -71.85 4.64 -9.28 -1.12 0
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194790 78589790 1 N3O4C15H17 A3B4C15D17 -27.21 5.49 -9.85 -1.43 0
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194791 78590181 1 NO5C16H21 AB5C16D21 -192.42 4.18 -9.15 -0.29 0
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194792 78590776 1 ClNF3O4H13C18 ABC3D4E13F18 -265.24 5.46 -9.09 -1.45 3
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194793 78590777 1 ON3C21H38 AB3C21D38 26.55 4.53 0.0 0.0 0
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194794 78590778 1 NF4O4H13C18 AB4C4D13E18 -297.1 4.23 -9.3 -1.37 0