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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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167706 74860384 3 NOC4H6 ABC4D6 -118.68 2.15 0.0 0.0 0
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167707 74860471 1 NO4C16H21 AB4C16D21 -153.05 2.74 -9.52 -1.06 0
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167708 74860846 1 ClSN3O5H14C17 ABC3D5E14F17 -57.03 8.47 -9.36 -1.81 0
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167709 74860847 1 SCl2N2O3C19H20 AB2C2D3E19F20 -111.01 2.99 -8.55 -1.26 1
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167710 74860970 1 SN4O7C22H31 AB4C7D22E31 -266.97 5.97 0.0 0.0 0
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167711 74860995 1 OS3N5C23H25 AB3C5D23E25 58.49 6.11 -8.67 -0.95 0
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167712 74861341 1 N2O5C21H28 A2B5C21D28 -214.29 4.95 -9.07 -0.98 0
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167713 74861501 1 SO2N5C23H33 AB2C5D23E33 -64.88 3.58 -8.86 -0.58 0
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167714 74861738 1 SN2O5H20C23 AB2C5D20E23 -63.7 1.15 -9.08 -1.1 0
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167715 74861742 1 SN2O5C24H24 AB2C5D24E24 -126.24 7.51 -8.6 -0.75 0
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167716 74861784 1 O2S2N5H17C18 A2B2C5D17E18 12.43 5.44 -8.56 -0.93 0
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167717 74862651 1 N3O6H21C22 A3B6C21D22 -106.77 3.7 -8.55 -0.96 0
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167718 74862914 1 SO2N3C13H17 AB2C3D13E17 -30.94 3.52 -8.65 -0.71 0
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167719 74863062 1 N3O3C19H19 A3B3C19D19 -43.67 4.15 -9.1 -0.37 0
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167720 74863063 1 O3N4H16C19 A3B4C16D19 -3.81 8.63 -9.32 -1.07 0
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167721 74863104 1 OS2N6H20C24 AB2C6D20E24 146.07 10.93 -8.81 -1.1 0
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167722 74863290 3 NOC7H9 ABC7D9 -65.34 7.98 -8.43 -0.08 0
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167723 74863291 1 SN4O4C20H20 AB4C4D20E20 -49.28 11.18 -9.08 -0.79 0
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167724 74863537 1 O3N7H11C15 A3B7C11D15 130.55 0.84 -9.81 -1.91 0
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167725 74863992 1 N2O3C11H14 A2B3C11D14 -73.59 3.38 -8.99 -0.11 0
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167726 74865918 1 ClN2O2H13C15 AB2C2D13E15 -8.65 2.17 -8.79 -0.95 0
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167727 74866051 1 N2O4H14C15 A2B4C14D15 -2.16 6.31 -9.25 -1.42 0
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167728 74866052 2 NOH7C8 ABC7D8 37.19 5.27 -8.96 -0.79 0
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167729 74866053 1 NO3C16H17 AB3C16D17 -37.5 2.05 -8.83 -0.31 0
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167730 74866199 1 ON5C8H13 AB5C8D13 42.36 4.28 -8.7 -0.23 0
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167731 74866200 1 OF3N4C10H13 AB3C4D10E13 -138.14 3.95 -9.03 -0.56 0
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167732 74866264 1 ON3C17H25 AB3C17D25 -34.82 5.42 -9.42 0.22 0
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167733 74866379 1 OSN6C10H12 ABC6D10E12 103.54 6.25 -9.22 -0.97 0
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167734 74866380 1 OSC6N6H12 ABC6D6E12 68.74 6.58 -9.26 -0.59 0
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167735 74866878 1 SN2O2C14H14 AB2C2D14E14 13.18 2.98 -8.36 -0.22 0
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167736 74866879 1 OSN3H11C12 ABC3D11E12 63.88 4.05 -8.9 -0.66 0
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167737 74867333 1 ON3C14H21 AB3C14D21 8.05 4.68 -8.14 0.11 0
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167738 74867334 1 ON4C13H24 AB4C13D24 21.1 4.42 -8.72 -0.91 0
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167739 74867335 1 ON4C13H20 AB4C13D20 16.08 3.31 -8.4 -0.15 0
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167740 74867375 1 ClSN4C5H7 ABC4D5E7 60.93 4.9 -8.77 -0.28 0
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167741 74867376 1 O2S2N5C12H19 A2B2C5D12E19 -63.31 2.59 -8.95 -0.7 0
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167742 74868064 1 ClO2N3H10C15 AB2C3D10E15 34.75 9.66 -9.93 -2.42 0
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167743 74868212 1 NSO3C15H19 ABC3D15E19 -109.16 4.73 -9.07 -0.77 0
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167744 74868590 1 NO3C17H21 AB3C17D21 -113.64 8.0 -9.44 -0.92 0
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167745 74868591 1 NO3C17H23 AB3C17D23 -124.74 7.37 -9.36 -0.52 0
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167746 74868592 1 NO4C15H19 AB4C15D19 -155.9 2.86 -9.45 -0.69 0
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167747 74868635 1 SO2N5C10H17 AB2C5D10E17 -33.46 4.32 -9.48 -0.79 0
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167748 74868636 1 SO2N5C11H19 AB2C5D11E19 -39.3 4.12 -9.45 -0.8 0
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167749 74868637 1 SO2N4C12H20 AB2C4D12E20 -79.28 4.56 -8.88 -0.3 0
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167750 74868663 1 BrON4H9C12 ABC4D9E12 75.9 2.87 -9.27 -1.63 0
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167751 74868907 1 FON3C11H16 ABC3D11E16 -27.43 2.14 -8.86 -0.41 0
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167752 74868908 1 ON3C7H17 AB3C7D17 -16.75 2.56 -8.73 1.06 0
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167753 74869046 1 O2N3C15H21 A2B3C15D21 -38.24 2.69 -9.16 -0.43 0
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167754 74870187 1 O2N5C12H17 A2B5C12D17 -13.84 2.65 -8.79 -0.12 0
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167755 74870188 1 O2N3C14H21 A2B3C14D21 -37.94 4.97 -9.09 -0.36 0
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167756 74870245 1 O2N3C15H21 A2B3C15D21 -39.31 2.5 -9.14 -0.45 0
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167757 74870257 1 O2N3C16H17 A2B3C16D17 -3.92 2.06 -8.81 -0.68 0
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167758 74870445 1 FCl2N3H14C15 AB2C3D14E15 4.47 1.15 -9.22 -0.71 0
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167759 74870446 1 ClN3C17H20 AB3C17D20 42.61 2.12 -8.79 -0.19 0
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167760 74870447 1 ClON3C16H18 ABC3D16E18 19.94 1.83 -9.07 -0.27 0
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167761 74870619 1 ClN3C17H20 AB3C17D20 43.57 3.12 -8.99 -0.15 0
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167762 74870783 1 ON3C16H27 AB3C16D27 -27.44 2.83 -8.49 0.13 0
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167763 74870784 1 N3O3C13H19 A3B3C13D19 -66.45 4.26 -8.76 -0.35 0
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167764 74871195 1 ON2C9H16 AB2C9D16 -44.63 4.8 -9.05 0.21 0
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167765 74871575 1 SN3O3C10H11 AB3C3D10E11 -48.37 12.57 -8.81 -1.28 0
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167766 74871795 1 SN3O4H9C10 AB3C4D9E10 -98.47 2.92 -9.59 -1.9 0
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167767 74871940 1 NO3C17H21 AB3C17D21 -119.11 7.77 -9.31 -0.59 0
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167768 74872216 1 BrNSO3H10C14 ABCD3E10F14 -59.89 2.79 -9.11 -1.45 0
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167769 74872217 1 FNSO3H10C14 ABCD3E10F14 -108.41 3.53 -9.05 -1.26 0
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167770 74872218 1 NSO3H13C15 ABC3D13E15 -73.22 3.71 -8.94 -1.3 0
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167771 74872219 1 NSO4H11C13 ABC4D11E13 -104.87 2.69 -8.96 -1.38 0
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167772 74872648 1 BrN2O3C14H15 AB2C3D14E15 -87.29 5.43 -8.91 -1.16 1
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167773 74872691 3 NOC4H4 ABC4D4 -28.21 2.54 0.0 0.0 0
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167774 74872963 2 NOC7H11 ABC7D11 -53.01 1.61 -8.49 0.57 0
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167775 74873420 1 NSO3C14H17 ABC3D14E17 -96.97 4.47 -9.29 -0.85 0
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167776 74873581 2 NO2C7H7 AB2C7D7 -94.36 3.64 -9.52 -1.26 0
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167777 74873909 1 NO3C16H19 AB3C16D19 -113.73 8.6 -9.04 -0.99 0
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167778 74873971 1 ClFN2O2C15H18 ABC2D2E15F18 -105.47 5.11 -8.91 -0.93 0
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167779 74874061 1 FNO2C14H16 ABC2D14E16 -107.42 4.53 -9.56 -0.72 0
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167780 74874478 1 FON2S2H7C12 ABC2D2E7F12 12.95 3.56 -9.12 -1.8 0
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167781 74874479 1 OS2N3C11H15 AB2C3D11E15 22.71 4.41 -8.66 -1.74 0
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167782 74874480 1 ON2S2C13H16 AB2C2D13E16 9.04 2.71 -9.01 -1.61 0
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167783 74874535 1 ClO2N3C14H20 AB2C3D14E20 -60.33 5.47 -9.18 -0.38 0
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167784 74874536 1 NO3C17H21 AB3C17D21 -102.38 7.94 -8.82 -0.28 0
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167785 74875888 1 NO3C14H17 AB3C14D17 -108.5 5.52 -9.08 -0.61 0
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167786 74876207 1 BrOSN2C8H15 ABCD2E8F15 -60.7 3.29 -9.04 -0.22 0
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167787 74876208 1 BrOSN2C7H13 ABCD2E7F13 -56.77 3.91 -9.23 -0.5 0
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167788 74876209 1 SN2O2F3C11H13 AB2C2D3E11F13 -180.92 2.69 -9.3 -1.2 0
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167789 74876241 1 SN2O3C14H18 AB2C3D14E18 -98.13 7.0 -9.16 -1.38 0
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167790 74876531 1 N2O3C14H18 A2B3C14D18 -55.66 4.0 -9.12 -0.36 0
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167791 74876552 1 NO2C13H19 AB2C13D19 -50.15 2.84 -8.56 0.04 0
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167792 74876676 1 SN2O2C13H16 AB2C2D13E16 -36.87 5.62 -9.45 -1.14 0
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167793 74876990 1 SN4O4C5H12 AB4C4D5E12 -130.25 3.58 -9.38 0.24 0
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167794 74877492 1 OSN2C15H16 ABC2D15E16 5.59 4.6 -9.13 -0.49 0
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167795 74877531 2 FNOC7H9 ABCD7E9 -180.92 3.92 -9.42 -0.44 0
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167796 74877626 1 BrClN2O2C14H18 ABC2D2E14F18 -60.99 10.66 -7.96 -1.15 0
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167797 74878040 1 O2N3C9H19 A2B3C9D19 -73.07 3.63 -9.07 0.62 0
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167798 74878041 1 N3O3C15H23 A3B3C15D23 -74.64 2.27 -8.93 -0.26 0
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167799 74878447 1 N2S2O3H8C9 A2B2C3D8E9 -56.51 2.26 -9.29 -2.04 0
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167800 74878614 1 OSN3C13H15 ABC3D13E15 54.91 2.58 -8.89 -0.26 0
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167801 74878615 1 OSN3C13H15 ABC3D13E15 54.75 3.61 -8.34 -0.35 0
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167802 74879168 1 O2N3C8H17 A2B3C8D17 -55.87 0.97 -8.91 0.91 0
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167803 74879404 1 N3C18H29 A3B18C29 14.26 3.36 -8.53 0.18 0
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167804 74879758 1 FNSO2C13H14 ABCD2E13F14 -90.81 5.08 -8.74 -1.11 0
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167805 74880012 1 FN2O3C13H15 AB2C3D13E15 -133.68 3.01 -9.32 -1.32 0