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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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308036 125312376 1 ClNOF3H11C15 ABCD3E11F15 -117.16 3.68 -9.23 -0.86 0
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308037 125312377 1 ClNOF3H11C15 ABCD3E11F15 -105.15 3.56 -9.23 -0.86 0
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308038 125312378 1 ClO9C26H45 AB9C26D45 -482.48 9.53 -10.37 -0.26 0
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308039 125312383 1 ON3H5C7 AB3C5D7 70.66 9.0 -10.08 -2.64 0
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308040 125312397 1 BrClO2N5H17C18 ABC2D5E17F18 28.74 2.59 -9.08 -1.74 0
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308041 125312536 1 N2O3C19H20 A2B3C19D20 -44.85 3.97 -8.98 -0.62 0
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308042 125312556 1 FN2O5H19C24 AB2C5D19E24 -113.2 4.04 -8.88 -1.36 0
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308043 125312609 1 O2N3H17C21 A2B3C17D21 19.24 4.71 -8.78 -1.03 0
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308044 125312623 1 N2O3F4H18C24 A2B3C4D18E24 -193.73 6.79 -9.11 -1.31 0
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308045 125312629 1 N3O5C23H23 A3B5C23D23 -69.88 9.18 -9.25 -1.47 0
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308046 125312634 1 NOC23H31 ABC23D31 -24.46 2.65 -8.62 0.44 0
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308047 125312840 1 NO3C20H27 AB3C20D27 -142.09 1.75 -9.46 0.16 0
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308048 125312842 1 NO3C20H27 AB3C20D27 -140.81 1.63 -9.55 0.09 0
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308051 125316755 1 SO2N4C13H16 AB2C4D13E16 -6.61 4.74 -8.5 -1.02 0
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308052 125316757 1 BrON4H9C11 ABC4D9E11 75.66 3.82 -9.52 -1.43 0
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308053 125316760 1 N3O5H29C30 A3B5C29D30 -71.61 3.55 -8.18 -1.07 0
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308054 125316761 1 N3O5H29C30 A3B5C29D30 -74.25 3.2 -8.32 -1.22 0
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308056 125316765 1 ClN3O3H14C20 AB3C3D14E20 -19.97 4.04 -9.24 -1.0 0
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308057 125316766 1 ClN2O2S2H9C13 AB2C2D2E9F13 26.99 3.95 -9.44 -2.26 0
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308058 125316769 1 OS3N4C13H14 AB3C4D13E14 87.37 3.46 -8.82 -2.77 0
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308059 125316779 1 N3O3C26H29 A3B3C26D29 -54.16 2.92 -9.03 -1.12 0
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308062 125316803 1 Cl2N2O2C23H32 A2B2C2D23E32 -91.93 2.21 -8.63 -0.04 0
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308063 125316804 1 Cl2N2O2C23H32 A2B2C2D23E32 -91.62 3.76 -8.57 0.01 0
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308064 125316805 1 N3H11C13 A3B11C13 105.01 4.34 -9.05 -1.12 0
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308065 125316810 1 NF3O5H12C17 AB3C5D12E17 -278.85 2.91 -10.52 -1.73 0
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308066 125316823 1 N2O5H26C27 A2B5C26D27 -86.02 5.52 -8.74 -0.94 0
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308068 125316833 1 O2N4C15H16 A2B4C15D16 40.19 2.2 -9.32 -1.21 0
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308069 125316834 1 ClN2O3C15H15 AB2C3D15E15 -70.91 6.0 -9.31 -1.42 0
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308070 125316835 1 ClN2O3C15H15 AB2C3D15E15 -70.51 8.0 -9.41 -1.51 -1
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308071 125316838 1 OC9H11 AB9C11 16.8 2.14 0.0 0.0 0
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308072 125316840 1 ClSN3O3C20H20 ABC3D3E20F20 -72.77 5.68 -9.76 -1.66 0
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308074 125316853 1 NO8H19C24 AB8C19D24 -232.73 5.37 -9.1 -1.59 0
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308075 125316855 1 N4O5C23H24 A4B5C23D24 -172.68 3.84 -9.43 -0.81 0
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308076 125316856 1 N4O5C23H24 A4B5C23D24 -173.33 8.45 -9.31 -0.75 0
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308079 125316874 1 N2O4H28C31 A2B4C28D31 -67.37 1.32 -8.17 -0.87 0
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308080 125316877 1 NO7C27H37 AB7C27D37 -257.1 2.86 -9.67 -0.82 0
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308081 125316878 1 NO7C27H37 AB7C27D37 -307.05 2.23 -9.69 -0.83 0
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308082 125316882 1 ClN2O2C17H19 AB2C2D17E19 -36.41 5.9 -9.64 -0.53 0
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308083 125316885 1 ClIN2H4C7 ABC2D4E7 79.63 4.57 -9.65 -1.3 0
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308084 125316887 1 NO4C29H37 AB4C29D37 -141.47 4.89 -8.41 -0.22 0
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308085 125316892 2 O2N3H9C10 A2B3C9D10 38.22 13.54 -9.68 -1.94 0
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308086 125316893 1 SO2N4H18C19 AB2C4D18E19 18.51 2.43 -8.86 -0.97 0
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308087 125316898 1 NO3H9C11 AB3C9D11 -89.46 5.94 -10.15 -1.48 0
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308088 125316908 1 FON3H10C12 ABC3D10E12 -9.33 4.47 -10.02 -1.62 0
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308089 125316910 2 ON2C11H12 AB2C11D12 -33.53 9.41 -7.77 -0.6 0
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308092 125316915 1 N3O4H25C26 A3B4C25D26 -34.02 7.55 -8.57 -0.84 0
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308093 125316916 1 O2N4H12C13 A2B4C12D13 20.28 4.04 -9.31 -0.7 0
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308094 125316917 1 N3O4H25C26 A3B4C25D26 -36.18 6.52 -8.51 -0.91 0
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308095 125316918 1 N3O4H25C26 A3B4C25D26 -20.62 7.34 -8.64 -0.76 0
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308100 125316934 1 N5O5C17H19 A5B5C17D19 -95.26 4.47 -9.76 -2.31 0
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308101 125316935 1 N3O4C25H27 A3B4C25D27 -59.35 5.9 -8.95 -0.99 0
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308103 125316941 1 O4N5C27H29 A4B5C27D29 -69.72 6.68 -8.56 -1.41 0
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308104 125316946 1 FSN3O5C21H30 ABC3D5E21F30 -271.62 2.21 -8.7 -0.22 0
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308105 125316952 1 N4O4C35H38 A4B4C35D38 -44.67 2.57 -8.31 -1.15 0
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308107 125316970 1 O2N7H15C18 A2B7C15D18 138.11 6.72 -9.24 -1.72 0
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308108 125316978 1 NO6C23H23 AB6C23D23 -165.39 6.47 -8.91 -1.42 0
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308110 125317000 1 N2C17H17 A2B17C17 86.67 1.16 0.0 0.0 0
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308111 125317003 1 NO4C22H33 AB4C22D33 -192.12 6.32 -8.93 1.08 0
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308113 125317008 1 ON3C10H11 AB3C10D11 31.5 4.3 -9.06 -0.75 0
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308114 125317012 1 N2O5H24C25 A2B5C24D25 -69.16 7.74 -8.28 -0.74 0
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308117 125317022 1 O3N4C24H24 A3B4C24D24 6.3 2.92 -8.95 -1.3 0
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308118 125317023 1 ON4C23H28 AB4C23D28 76.66 6.06 -8.08 -0.58 0
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308119 125317026 1 O3N4C24H24 A3B4C24D24 7.05 2.85 -8.97 -1.28 0
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308120 125317032 1 N5O5C26H29 A5B5C26D29 -135.58 5.09 -9.05 -1.12 0
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308121 125317039 1 SN4O4C22H26 AB4C4D22E26 -47.97 9.29 -8.74 -1.61 0
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308123 125317045 1 SO3N4C14H18 AB3C4D14E18 -46.09 5.31 -8.87 -1.69 0
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308124 125317052 3 NOC7H7 ABC7D7 -53.91 6.09 -8.63 -0.88 0
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308127 125317063 1 O2N3H13C17 A2B3C13D17 21.15 6.65 -8.92 -1.31 0
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308128 125317064 1 NO6C17H17 AB6C17D17 -216.18 4.64 -9.72 -1.25 0
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308129 125317069 1 SO2N4C23H24 AB2C4D23E24 -3.11 7.51 -8.7 -1.35 0
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308130 125317084 1 NO4C20H25 AB4C20D25 -179.59 4.8 -9.47 -0.99 0
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308132 125317097 1 BrFON3H13C18 ABCD3E13F18 29.15 4.12 -9.59 -1.94 0
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308133 125317098 1 ClN2O2C7H9 AB2C2D7E9 -79.87 2.84 -10.85 -1.36 0
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308135 125317105 3 NOC6H7 ABC6D7 -70.08 2.42 -9.07 -1.15 0
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308138 125317116 2 NO3H13C14 AB3C13D14 -150.84 4.74 -9.14 -1.22 0
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308139 125317120 1 ClN4O6C34H37 AB4C6D34E37 -132.99 2.9 -8.59 -1.27 0
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308140 125317124 1 O2N7C17H19 A2B7C17D19 42.65 3.27 -8.65 -0.91 0
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308141 125317126 1 NSO11C21H31 ABC11D21E31 -515.08 7.33 -8.39 0.26 0
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308142 125317133 1 N4O5C27H30 A4B5C27D30 -57.08 5.17 -8.9 -1.11 0
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308143 125317136 1 SN3O3H13C15 AB3C3D13E15 -40.2 4.98 -9.17 -1.95 0
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308144 125317141 1 ON2C13H20 AB2C13D20 -20.68 4.59 -8.84 -0.97 0
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308145 125317142 1 ON2C13H20 AB2C13D20 -22.0 7.34 -9.05 -0.7 0
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308146 125317148 1 Cl2N2H10C15 A2B2C10D15 87.56 3.53 -9.22 -1.51 0
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308147 125317151 1 O3N4C21H22 A3B4C21D22 43.12 7.03 -8.76 -0.88 0
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308149 125317157 1 NO4H9C11 AB4C9D11 -91.98 8.08 -9.47 -1.52 0
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308150 125317158 1 N3O3C21H25 A3B3C21D25 -75.27 4.65 -8.93 -1.01 0
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308151 125317160 1 NPO10C42H80 ABC10D42E80 -651.08 3.69 -9.64 -0.28 0
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308152 125317164 1 OSN4C12H14 ABC4D12E14 35.29 3.61 -8.81 -0.68 0
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308153 125317165 1 OSN4C12H14 ABC4D12E14 35.21 7.45 -8.82 -0.46 0
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308154 125317187 1 N3O3H19C22 A3B3C19D22 8.11 4.52 -9.14 -1.7 0
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308155 125317188 1 N3O3H19C22 A3B3C19D22 8.42 5.75 -9.34 -1.69 0
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308156 125317189 1 SN3O3C33H45 AB3C3D33E45 -134.97 5.35 -8.79 -1.0 0
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308157 125317190 1 SN3O3C33H45 AB3C3D33E45 -128.62 5.87 -8.99 -0.8 0
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308158 125317191 1 SN3O3C33H45 AB3C3D33E45 -132.31 2.72 -8.86 -0.92 0
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308159 125317201 1 O3N4C22H28 A3B4C22D28 -15.43 1.44 -8.38 -1.27 0
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308160 125317207 1 ClSO2N3C6H6 ABC2D3E6F6 -60.02 5.32 -9.16 -1.83 0
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308161 125317208 1 BrNO2C12H12 ABC2D12E12 -27.84 1.48 -9.55 -1.85 0
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308162 125317209 1 BrNO2C12H12 ABC2D12E12 -27.91 1.55 -9.55 -1.85 0
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308167 125317214 1 SO2N5H13C15 AB2C5D13E15 22.2 3.22 -9.24 -1.24 0
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308168 125317215 1 SO2N5H13C15 AB2C5D13E15 22.49 3.11 -9.25 -1.25 0