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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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62951 26737766 1 SO4N5H17C20 AB4C5D17E20 -23.74 8.53 -9.02 -1.69 0
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62952 26737769 1 O3N5C22H25 A3B5C22D25 27.0 9.13 -8.88 -1.12 0
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62953 26737770 1 FSN3O3H14C18 ABC3D3E14F18 -20.94 8.75 -9.55 -1.33 0
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62954 26737776 1 SN3O5H13C18 AB3C5D13E18 -66.15 3.72 -9.51 -1.73 0
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62955 26737787 1 ClO3N4H17C22 AB3C4D17E22 40.35 6.15 -9.42 -1.32 0
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62956 26737788 1 SN3O5C18H19 AB3C5D18E19 -93.12 4.01 -9.4 -1.52 0
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62957 26737792 1 N3O7C18H19 A3B7C18D19 -155.23 6.97 -9.35 -1.36 0
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62958 26737795 1 N2O4H14C17 A2B4C14D17 -28.55 4.9 -9.12 -1.37 0
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62959 26737799 1 ClSN3O3H14C18 ABC3D3E14F18 14.81 5.84 -9.36 -1.54 0
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62960 26737802 1 SN4O5H14C15 AB4C5D14E15 -62.58 4.58 -9.5 -1.46 0
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62961 26737805 6 NOC4H4 ABC4D4 -88.96 7.66 -9.34 -1.27 0
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62962 26737808 1 FSN2O3H15C16 ABC2D3E15F16 -56.79 5.91 -9.08 -1.24 0
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62963 26737810 1 ClN2O4H15C19 AB2C4D15E19 -25.09 4.39 -9.0 -1.47 0
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62964 26737813 1 ON4C24H28 AB4C24D28 35.0 5.5 -8.79 -0.56 0
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62965 26737820 1 N3O3C23H31 A3B3C23D31 -123.05 4.31 -8.91 0.14 0
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62966 26737821 1 N3O3C22H29 A3B3C22D29 -115.74 4.19 -8.64 0.1 0
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62967 26737825 1 FSN3O3C23H28 ABC3D3E23F28 -131.59 2.09 -8.76 -0.67 0
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62968 26737827 1 FOCl2N2C19H19 ABC2D2E19F19 -63.86 4.31 -8.83 -1.11 0
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62969 26737833 1 ON3C22H29 AB3C22D29 0.02 5.67 -8.51 0.48 0
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62970 26737850 1 N3O3C24H29 A3B3C24D29 -83.21 3.52 -8.66 0.1 0
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62971 26737851 1 O3N4C25H28 A3B4C25D28 -33.05 4.93 -8.87 -1.04 0
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62972 26737856 1 SO2N3C28H29 AB2C3D28E29 17.46 4.99 -8.67 -1.02 0
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62973 26737859 1 OCl2N3C18H19 AB2C3D18E19 -1.57 5.56 -8.87 -1.19 0
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62974 26737862 1 ClOSN3C23H24 ABCD3E23F24 15.14 3.79 -8.74 -1.37 0
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62975 26737863 1 ClN2O2C24H25 AB2C2D24E25 -22.74 4.05 -8.76 -1.07 0
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62976 26737871 1 S2N3O3H19C20 A2B3C3D19E20 2.38 6.62 -8.61 -1.37 0
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62977 26737874 1 N3O5C20H21 A3B5C20D21 -89.93 4.81 -8.59 -1.14 0
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62978 26737877 1 O3N4C23H26 A3B4C23D26 -32.8 4.58 -8.73 -0.9 0
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62979 26737879 1 O3N4H22C24 A3B4C22D24 8.83 2.44 -8.76 -1.15 0
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62980 26737880 2 N2O2H11C12 A2B2C11D12 -24.52 3.91 -8.72 -1.07 0
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62981 26737881 2 N2O2H10C11 A2B2C10D11 -16.27 7.29 -8.92 -1.0 0
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62982 26737882 1 O3N4H24C25 A3B4C24D25 6.79 2.97 -8.69 -1.04 0
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62983 26737884 1 O3N4H22C24 A3B4C22D24 7.41 2.24 -8.64 -1.14 0
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62984 26737896 1 N4O5H24C25 A4B5C24D25 -57.75 2.62 -8.07 -1.17 0
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62985 26737897 1 FO3N5H26C27 AB3C5D26E27 -18.17 5.58 -8.46 -0.79 0
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62986 26737898 1 FS2N3O3H18C23 AB2C3D3E18F23 -29.63 7.75 -8.74 -1.46 0
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62987 26737899 1 S2N3O3H21C24 A2B3C3D21E24 13.82 2.69 -8.56 -1.33 0
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62988 26737903 1 O3N4H20C25 A3B4C20D25 43.43 5.79 -8.45 -0.81 0
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62989 26737906 1 O3N4C26H26 A3B4C26D26 -9.13 0.8 -8.72 -1.02 0
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62990 26737913 1 O3N4H22C26 A3B4C22D26 28.2 3.32 -8.66 -0.84 0
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62991 26737917 1 F2O3N4H18C23 A2B3C4D18E23 -75.29 2.79 -8.86 -1.31 0
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62992 26737920 1 N4O5C26H26 A4B5C26D26 -91.18 7.91 -8.79 -1.09 0
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62993 26737922 1 O4N5H17C18 A4B5C17D18 -46.52 6.97 -8.82 -1.28 0
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62994 26737924 1 SO2N4H22C26 AB2C4D22E26 83.97 3.21 -8.55 -1.16 0
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62995 26737925 1 S2O3N4H24C25 A2B3C4D24E25 21.95 2.0 -8.2 -1.23 0
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62996 26737926 1 ClN3O3H18C23 AB3C3D18E23 16.97 6.81 -8.86 -1.23 0
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62997 26737927 1 O3N4C26H26 A3B4C26D26 19.82 2.78 -8.61 -0.67 0
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62998 26737928 1 O3N5C27H27 A3B5C27D27 25.5 4.11 -8.43 -0.9 0
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62999 26737929 1 O3N4C26H28 A3B4C26D28 -8.96 6.78 -8.61 -0.65 0
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63000 26737930 1 O3N4C18H18 A3B4C18D18 -10.85 3.68 -8.68 -0.98 0
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63001 26737941 1 O4N5H23C25 A4B5C23D25 -33.76 4.88 -8.29 -1.1 0
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63002 26737943 1 SO3N4H24C25 AB3C4D24E25 -2.71 2.6 -8.64 -1.21 0
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63003 26737945 1 SO2N4H18C20 AB2C4D18E20 59.53 2.99 -8.68 -1.21 0
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63004 26737947 1 FSO3N4H19C23 ABC3D4E19F23 -33.36 5.76 -8.53 -1.4 0
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63005 26737953 1 FN3O3H18C23 AB3C3D18E23 -16.1 3.14 -8.5 -0.95 0
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63006 26737964 1 O3N4H24C25 A3B4C24D25 -1.44 1.52 -8.65 -1.1 0
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63007 26737965 2 N2O2C10H11 A2B2C10D11 -54.28 1.76 -8.72 -1.04 0
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63008 26737966 1 O3N4H20C23 A3B4C20D23 16.72 5.77 -8.79 -1.17 0
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63009 26737975 1 NO2C15H23 AB2C15D23 -106.27 3.59 -9.06 0.33 0
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63010 26737978 1 NO2C15H23 AB2C15D23 -106.14 3.43 -9.06 0.32 0
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63011 26737980 1 ON5C16H23 AB5C16D23 2.27 4.54 -9.54 -1.1 0
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63012 26737981 1 ON5C16H23 AB5C16D23 1.48 4.54 -9.61 -1.11 0
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63013 26737984 1 SN3O3C17H23 AB3C3D17E23 -98.74 4.82 -9.73 -1.36 0
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63014 26737988 1 O2N4C17H22 A2B4C17D22 -43.78 5.96 -9.7 -1.41 0
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63015 26738005 1 O2S2N3C21H29 A2B2C3D21E29 -88.09 3.53 -8.58 -1.01 0
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63016 26738008 1 SO2N4C21H26 AB2C4D21E26 -71.31 1.97 -8.77 -1.38 0
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63017 26738013 1 ClFSN3O4C23H27 ABCD3E4F23G27 -203.75 4.62 -9.35 -1.56 0
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63018 26738018 1 N3O3C14H21 A3B3C14D21 -151.63 2.31 -9.99 -0.81 0
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63019 26738025 1 O2S2N3C20H23 A2B2C3D20E23 -41.66 2.44 -8.93 -1.38 0
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63020 26738043 1 SN2O2C19H24 AB2C2D19E24 -47.9 4.48 -9.23 -0.76 0
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63021 26738046 1 SN2O3C21H32 AB2C3D21E32 -147.83 7.44 -9.59 -0.43 0
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63022 26738047 1 SN2O3C21H32 AB2C3D21E32 -147.24 5.92 -9.53 -0.48 0
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63023 26738056 1 OSN5C18H27 ABC5D18E27 -8.7 3.89 -8.73 -1.03 0
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63024 26738068 1 SN3O5C22H31 AB3C5D22E31 -210.67 8.61 -9.46 -0.85 0
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63025 26738103 1 N3O4H17C23 A3B4C17D23 -31.96 4.29 -8.71 -0.69 0
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63026 26738105 1 ClSO2N6C24H25 ABC2D6E24F25 21.77 3.47 -8.46 -0.97 0
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63027 26738106 1 SN4O4H16C21 AB4C4D16E21 -43.98 3.17 -8.96 -1.26 0
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63028 26738114 1 FSN4O4H19C20 ABC4D4E19F20 -123.27 5.92 -9.07 -0.82 0
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63029 26738116 1 FSO2N3H14C19 ABC2D3E14F19 -32.63 1.62 -8.74 -1.17 0
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63030 26738117 1 O4N5H15C21 A4B5C15D21 -20.76 4.76 -9.02 -1.35 0
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63031 26738119 1 O2S2N4H12C17 A2B2C4D12E17 53.59 1.03 -8.77 -1.4 0
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63032 26738120 2 ON3C12H13 AB3C12D13 33.21 1.85 -8.7 -0.39 0
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63033 26738122 1 N3O4H19C25 A3B4C19D25 -49.65 6.89 -9.13 -1.27 0
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63034 26738124 1 N3O3H17C21 A3B3C17D21 -17.78 2.47 -8.73 -0.6 0
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63035 26738125 1 O2S2N3H17C21 A2B2C3D17E21 35.09 2.92 -8.86 -0.7 0
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63036 26738162 2 ON3C11H12 AB3C11D12 21.61 1.78 -9.03 -0.73 0
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63037 26738178 2 NO2H9C12 AB2C9D12 -73.76 4.03 -8.91 -1.35 0
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63038 26738181 1 NO5H17C23 AB5C17D23 -115.05 5.13 -9.02 -1.82 0
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63039 26738183 1 BrN2O4H9C16 AB2C4D9E16 -17.23 7.5 -10.19 -1.78 0
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63040 26738187 2 NO2H7C9 AB2C7D9 -34.13 6.38 -10.1 -1.59 -1
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63041 26738191 1 NO5H12C18 AB5C12D18 -116.25 5.25 0.0 0.0 0
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63042 26738199 1 N2O5C22H22 A2B5C22D22 -137.79 2.6 -8.69 -1.38 0
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63043 26738206 1 SN3O3H19C23 AB3C3D19E23 -37.15 6.87 -9.07 -1.52 0
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63044 26738209 1 N2O6H24C27 A2B6C24D27 -152.32 5.31 -8.31 -1.51 0
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63045 26738216 1 N3O5C13H15 A3B5C13D15 -107.43 3.72 -9.09 -0.27 0
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63046 26738219 1 FNSO3H10C16 ABCD3E10F16 -19.96 5.1 -9.05 -1.55 0
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63047 26738224 1 FNOSH10C17 ABCDE10F17 16.84 4.07 -9.04 -1.29 0
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63048 26738225 1 FSO4H15C18 ABC4D15E18 -135.92 2.81 -8.66 -1.17 0
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63049 26738229 1 FSO3H13C18 ABC3D13E18 -100.49 1.91 -8.97 -1.3 0
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63050 26738248 1 ClSN2O3H13C18 ABC2D3E13F18 -72.61 3.36 -9.06 -1.48 0