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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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174738 75807204 1 NSO2F3C18H18 ABC2D3E18F18 -197.91 2.43 -9.2 -0.32 0
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174739 75807205 1 SN2O4C17H20 AB2C4D17E20 -126.99 4.24 -8.67 -0.24 1
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174740 75807207 1 N3O3C22H28 A3B3C22D28 -25.0 3.26 0.0 0.0 0
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174741 75807663 1 N2O3C21H24 A2B3C21D24 -64.11 3.95 -9.25 0.18 0
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174742 75807853 1 N3O5C22H33 A3B5C22D33 -191.51 5.32 -8.7 -0.27 0
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174743 75808279 1 ClFOSN3H11C21 ABCDE3F11G21 47.23 3.29 -9.52 -2.02 1
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174744 75808483 1 SF2N2O2C15H23 AB2C2D2E15F23 -138.27 5.62 0.0 0.0 0
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174745 75808816 1 N2S2O4C17H20 A2B2C4D17E20 -102.75 13.98 -9.69 -1.56 0
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174746 75809108 1 N4O4H16C19 A4B4C16D19 -89.53 4.29 -9.41 -1.42 1
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174747 75809630 1 SO2N3C18H30 AB2C3D18E30 -68.76 4.29 0.0 0.0 1
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174748 75809773 1 N2O2S2C17H23 A2B2C2D17E23 -7.03 5.42 0.0 0.0 0
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174749 75809774 1 O2N5C22H27 A2B5C22D27 -5.2 2.71 -8.25 0.03 1
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174750 75809775 1 FN3O3C17H21 AB3C3D17E21 -25.47 8.05 0.0 0.0 2
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174751 75809776 2 ON2C11H13 AB2C11D13 12.61 11.35 -7.35 -0.31 0
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174752 75809787 1 SN2O3C19H24 AB2C3D19E24 -83.58 6.13 -8.74 0.08 0
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174753 75809788 1 O3N4C21H28 A3B4C21D28 -72.57 4.38 -8.73 -0.14 0
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174754 75809800 1 BrFNO3H9C12 ABCD3E9F12 -118.3 1.77 -9.94 -1.79 0
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174755 75810812 1 ClN3O3H16C19 AB3C3D16E19 -39.17 3.04 -9.46 -1.09 0
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174756 75811140 1 ClSN2O4C17H23 ABC2D4E17F23 -152.47 4.53 -9.48 -1.15 0
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174757 75811678 2 ON3C11H14 AB3C11D14 -17.83 2.57 -8.66 -0.86 0
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174758 75811868 1 O3N4C23H38 A3B4C23D38 -118.25 3.36 -8.18 0.26 0
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174759 75811898 1 ClSN2O4C23H23 ABC2D4E23F23 -84.29 4.27 -9.54 -1.14 0
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174760 75811899 1 ClFNOC12H15 ABCDE12F15 -81.28 1.66 -8.85 -0.49 0
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174761 75811900 1 ClFN2O2C15H20 ABC2D2E15F20 -119.58 3.85 -8.84 -0.56 1
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174762 75812105 1 ON5C26H36 AB5C26D36 10.29 4.36 0.0 0.0 1
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174763 75812106 1 FO2N3C23H29 AB2C3D23E29 -86.65 2.21 0.0 0.0 1
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174764 75812157 1 ON2C18H29 AB2C18D29 -26.5 4.79 0.0 0.0 1
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174765 75812199 1 SN3O3C21H34 AB3C3D21E34 -113.5 5.08 0.0 0.0 0
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174766 75812200 1 SN3O3C21H33 AB3C3D21E33 -138.52 5.41 -8.89 -0.58 0
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174767 75812396 1 ClN2O3C16H21 AB2C3D16E21 -116.99 2.99 -8.81 -0.36 0
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174768 75812552 1 N3O4C23H29 A3B4C23D29 -146.35 2.29 -9.06 -0.21 0
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174769 75812553 1 N2O3C23H26 A2B3C23D26 -74.72 7.22 -8.82 -0.51 0
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174770 75812563 1 F3N3O4C19H22 A3B3C4D19E22 -300.91 9.61 -9.01 -0.94 1
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174771 75812736 1 ON2C14H29 AB2C14D29 -67.97 3.58 0.0 0.0 0
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174772 75812737 1 ON2C14H28 AB2C14D28 -92.44 3.31 -8.52 1.19 0
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174773 75812804 1 ON2F3C18H25 AB2C3D18E25 -209.27 2.18 -8.51 -0.62 1
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174774 75813120 1 N2O3C21H35 A2B3C21D35 -111.91 5.19 0.0 0.0 0
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174775 75813121 1 N2O3C21H34 A2B3C21D34 -135.02 3.64 -8.41 -0.04 0
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174776 75813172 1 SO2N3C18H21 AB2C3D18E21 -38.08 6.27 -8.98 -0.2 0
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174777 75813173 1 ClN2O2C17H25 AB2C2D17E25 -120.91 3.23 -9.65 -0.28 0
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174778 75813174 1 ClNOC15H22 ABCD15E22 -72.77 2.9 -9.43 0.01 0
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174779 75813443 1 OSN4C23H26 ABC4D23E26 35.31 6.35 -8.88 -0.1 0
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174780 75813444 1 O2N4C21H24 A2B4C21D24 1.21 3.4 -9.15 -0.14 0
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174781 75813564 1 ON3C21H31 AB3C21D31 -41.45 5.47 -8.6 -0.15 1
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174782 75813565 1 OSN3C15H28 ABC3D15E28 -27.4 6.82 0.0 0.0 0
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174783 75813679 1 N3O5C18H21 A3B5C18D21 -126.93 3.25 -9.14 -0.87 0
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174784 75813959 1 N4O4H20C21 A4B4C20D21 11.29 6.35 -8.99 -1.23 0
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174785 75813960 1 N3O3C23H27 A3B3C23D27 -114.25 7.18 -9.23 -0.37 0
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174786 75814042 1 OSN3C19H23 ABC3D19E23 1.37 2.68 -8.91 -0.27 -1
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174787 75814240 1 O6H19C20 A6B19C20 -111.7 21.12 0.0 0.0 0