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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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133911 51612896 1 ClN2O2C20H23 AB2C2D20E23 -28.89 1.87 -9.53 -0.48 0
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133912 51613344 1 SN2O6C23H28 AB2C6D23E28 -220.77 4.99 -8.56 -1.3 -1
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133913 51613550 1 ClSN3O4H21C22 ABC3D4E21F22 -57.52 9.93 0.0 0.0 0
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133914 51613618 1 OSN3C25H27 ABC3D25E27 26.42 4.81 -8.38 -0.19 0
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133915 51613655 1 ClSN2O5C21H25 ABC2D5E21F25 -173.01 3.89 -9.15 -1.03 0
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133916 51613656 1 S2N5O5C20H21 A2B5C5D20E21 -109.01 6.2 -9.2 -2.05 1
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133917 51613943 1 BrON4C18H22 ABC4D18E22 31.76 2.74 0.0 0.0 0
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133918 51613944 1 OCl2N7H15C19 AB2C7D15E19 166.04 7.66 -8.89 -1.83 0
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133919 51613945 2 NO2C13H18 AB2C13D18 -174.81 3.2 -9.57 0.07 0
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133920 51613946 2 NO2C13H18 AB2C13D18 -174.88 3.74 -9.6 0.09 0
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133921 51614043 1 O3N4C21H24 A3B4C21D24 -46.04 5.0 -8.64 -0.89 0
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133922 51614285 1 SN3O3H27C28 AB3C3D27E28 -43.76 3.63 -8.78 -0.5 0
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133923 51614286 1 SN3O3H27C28 AB3C3D27E28 -41.34 6.64 -8.66 -0.71 2
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133924 51614746 2 NC8H13 AB8C13 6.31 3.4 -8.77 0.39 0
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133925 51614747 2 NC8H12 AB8C12 5.02 1.71 -8.67 0.56 1
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133926 51614852 1 ON3C28H32 AB3C28D32 58.67 4.42 0.0 0.0 0
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133927 51614977 1 N3O5C23H31 A3B5C23D31 -215.68 2.19 -9.3 -0.08 0
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133928 51614978 1 N3O5C23H31 A3B5C23D31 -215.54 6.69 -9.0 -0.19 0
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133929 51614979 1 O3N6C26H38 A3B6C26D38 -98.58 8.01 -8.74 -0.26 0
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133930 51615326 1 BrN2O4C16H19 AB2C4D16E19 -117.27 16.48 -8.29 -0.32 0
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133931 51615748 1 OS2N5C22H31 AB2C5D22E31 13.3 3.26 -8.88 -0.34 0
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133932 51615749 1 OS2N5C22H31 AB2C5D22E31 17.82 2.6 -9.07 -0.5 -1
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133933 51615996 1 N2O5H17C20 A2B5C17D20 -118.11 3.84 0.0 0.0 -1
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133934 51616357 1 ClFNO2H10C13 ABCD2E10F13 -84.7 2.63 0.0 0.0 1
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133935 51616424 1 SO3N4C23H33 AB3C4D23E33 -122.68 6.04 0.0 0.0 0
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133936 51616732 1 SO3N4H26C27 AB3C4D26E27 -25.95 8.93 -8.26 -0.66 0
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133937 51616844 1 NF2O3H17C18 AB2C3D17E18 -179.39 3.68 -9.29 -0.57 1
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133938 51617142 1 N3O4C23H26 A3B4C23D26 -74.9 0.79 0.0 0.0 1
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133939 51617248 1 N2O2C19H39 A2B2C19D39 -113.3 1.96 0.0 0.0 1
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133940 51617260 1 ClSN3O3C20H25 ABC3D3E20F25 -57.96 3.76 0.0 0.0 0
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133941 51617497 1 NO5C23H23 AB5C23D23 -166.02 4.26 -9.79 -1.27 0
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133942 51617620 1 SN4O5C22H26 AB4C5D22E26 -89.89 5.25 -8.81 -1.56 1
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133943 51617695 1 N2O2C16H25 A2B2C16D25 -17.61 0.99 0.0 0.0 1
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133944 51617781 1 N2C12H21 A2B12C21 69.93 1.12 0.0 0.0 0
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133945 51617782 2 NC6H10 AB6C10 45.23 1.09 -8.75 1.83 0
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133946 51617783 1 O2N5C28H29 A2B5C28D29 3.78 4.92 -8.72 -0.48 1
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133947 51618174 1 ClSO2N3C16H19 ABC2D3E16F19 -30.47 12.6 0.0 0.0 1
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133948 51618202 1 N2O4C24H29 A2B4C24D29 -87.8 4.22 0.0 0.0 0
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133949 51618293 1 SN3O5C18H19 AB3C5D18E19 -69.78 5.08 -9.23 -1.74 0
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133950 51618815 1 OCl2N3C24H31 AB2C3D24E31 -38.76 4.63 -8.54 -0.45 1
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133951 51618869 1 OSN5C20H24 ABC5D20E24 69.79 5.78 0.0 0.0 1
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133952 51619811 1 S2N3O4C24H34 A2B3C4D24E34 -100.45 7.74 0.0 0.0 1
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133953 51619812 1 FN3O3C21H27 AB3C3D21E27 -97.01 4.25 0.0 0.0 1
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133954 51619813 1 OSN5C24H34 ABC5D24E34 30.1 8.0 0.0 0.0 1
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133955 51620456 1 N3O5C18H30 A3B5C18D30 -180.86 5.16 0.0 0.0 1
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133956 51620457 1 ON4C23H33 AB4C23D33 9.51 3.88 0.0 0.0 1
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133957 51620458 1 ON4C23H33 AB4C23D33 5.31 4.39 0.0 0.0 1
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133958 51620459 1 N3O4C16H26 A3B4C16D26 -152.39 6.07 0.0 0.0 1
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133959 51620684 1 O2N4C23H29 A2B4C23D29 28.86 14.68 0.0 0.0 1
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133960 51620825 1 ClSO2N5C21H23 ABC2D5E21F23 54.53 14.62 0.0 0.0 0
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133961 51620829 1 ClSO2N5H24C26 ABC2D5E24F26 86.55 3.48 -8.88 -1.2 1
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133962 51620830 1 BrSO2N5C21H23 ABC2D5E21F23 66.31 13.29 0.0 0.0 1
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133963 51620831 1 BrSO2N5C21H23 ABC2D5E21F23 82.58 13.11 0.0 0.0 1
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133964 51620958 1 BrO2N4C18H24 AB2C4D18E24 10.84 2.98 0.0 0.0 1
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133965 51621121 1 FO2N4C25H34 AB2C4D25E34 -82.24 2.25 0.0 0.0 0
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133966 51621122 1 FO2N4C25H33 AB2C4D25E33 -99.27 6.61 -9.01 -0.3 1
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133967 51621123 1 BrClO2N3C21H26 ABC2D3E21F26 -17.14 4.97 0.0 0.0 0
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133968 51621124 1 FNO5H14C18 ABC5D14E18 -112.28 8.85 -9.71 -1.62 1
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133969 51621125 1 BrClO2N3C21H26 ABC2D3E21F26 -18.43 4.81 0.0 0.0 1
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133970 51621126 1 O2N4C21H31 A2B4C21D31 -29.5 4.36 0.0 0.0 0
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133971 51621127 1 FINO3H7C12 ABCD3E7F12 -12.94 5.3 -9.72 -1.68 1
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133972 51621128 1 SO3N4C14H23 AB3C4D14E23 -50.31 7.7 0.0 0.0 1
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133973 51621129 1 O3N4C27H35 A3B4C27D35 -82.09 4.15 0.0 0.0 0
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133974 51621130 1 BrNF2O3H6C12 ABC2D3E6F12 -68.79 3.84 -9.7 -1.67 1
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133975 51621131 1 OSN3C20H28 ABC3D20E28 42.35 8.38 0.0 0.0 1
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133976 51621132 1 O2N5C23H34 A2B5C23D34 -22.77 7.78 0.0 0.0 2
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133977 51621133 1 OSN4C22H32 ABC4D22E32 78.06 24.03 -5.23 -1.21 0
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133978 51621134 1 SN2O2H12C13 AB2C2D12E13 35.43 7.53 -9.18 -1.59 1
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133979 51621135 1 ON5C15H24 AB5C15D24 42.34 16.68 0.0 0.0 0
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133980 51621136 1 ON5C15H23 AB5C15D23 10.82 5.25 -8.28 -0.71 1
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133981 51621137 1 FON4C20H22 ABC4D20E22 7.19 4.01 0.0 0.0 0
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133982 51621493 1 O2S2N5C23H31 A2B2C5D23E31 -42.58 4.91 -8.51 -0.56 0
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133983 51622017 1 SO3N5H27C28 AB3C5D27E28 1.3 7.29 -8.54 -1.29 0
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133984 51622018 1 SO3N5H27C28 AB3C5D27E28 1.38 6.77 -8.56 -1.24 1
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133985 51622188 1 OF2N4C21H31 AB2C4D21E31 -80.24 3.44 0.0 0.0 0
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133986 51622322 1 N2O3C24H34 A2B3C24D34 -97.87 4.64 -8.49 0.16 0
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133987 51622765 1 ClF2N2O2H15C17 AB2C2D2E15F17 -152.03 8.8 -9.15 -0.9 0
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133988 51622844 1 ClFO2N5H17C21 ABC2D5E17F21 -38.39 3.48 -9.29 -1.23 0
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133989 51622923 1 ClO2N4C19H27 AB2C4D19E27 -78.9 9.01 -8.79 -0.18 1
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133990 51623268 1 ClFON3C21H26 ABCD3E21F26 -32.87 4.73 0.0 0.0 1
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133991 51623370 1 N4C20H25 A4B20C25 101.08 5.35 0.0 0.0 1
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133992 51623659 1 FON3C21H27 ABC3D21E27 -22.78 2.83 0.0 0.0 1
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133993 51623824 1 N2O2C19H29 A2B2C19D29 -4.18 4.99 0.0 0.0 0
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133994 51624355 1 ON3C19H29 AB3C19D29 -32.12 1.79 -8.3 0.12 0
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133995 51624481 1 ClO2S2N3C23H26 AB2C2D3E23F26 3.82 6.31 -8.73 -0.55 0
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133996 51624568 1 N3C10H23 A3B10C23 -14.05 1.95 -8.17 2.66 0
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133997 51624590 1 N2C9H22 A2B9C22 -24.32 2.36 -8.56 2.73 1
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133998 51624716 1 N4O5C22H35 A4B5C22D35 -167.25 7.2 0.0 0.0 2
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133999 51624871 1 O2F3N4C22H29 A2B3C4D22E29 -157.67 13.04 -8.06 -0.16 2
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134000 51624872 1 ClO2N4C21H29 AB2C4D21E29 -21.95 3.66 -8.94 -0.1 1
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134001 51624873 1 O2N4C22H31 A2B4C22D31 15.73 8.24 0.0 0.0 1
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134002 51624874 1 O2N4C15H25 A2B4C15D25 -14.85 9.56 0.0 0.0 1
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134003 51624875 1 O2N5C16H30 A2B5C16D30 -54.78 7.2 0.0 0.0 1
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134004 51624931 1 N4O4C14H21 A4B4C14D21 -145.35 2.57 0.0 0.0 1
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134005 51624976 1 OSF2N6C22H31 ABC2D6E22F31 -78.6 12.81 0.0 0.0 1
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134006 51625011 1 N2O4C26H35 A2B4C26D35 -99.36 1.01 0.0 0.0 1
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134007 51625012 1 SN4O4C26H35 AB4C4D26E35 -91.15 8.86 0.0 0.0 1
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134008 51625013 1 OSN7C25H36 ABC7D25E36 49.27 10.2 0.0 0.0 0
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134009 51625014 1 OSN7C25H35 ABC7D25E35 28.58 2.24 -8.51 -1.15 1
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134010 51625015 1 O2N3C24H34 A2B3C24D34 -44.76 4.57 0.0 0.0 1