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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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61151 26706130 1 OSF3N4H19C21 ABC3D4E19F21 -116.72 5.7 -9.16 -1.14 0
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61152 26706136 1 BrN4O4H13C16 AB4C4D13E16 -15.45 5.73 -9.58 -1.52 0
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61153 26706146 1 O3N4H28C29 A3B4C28D29 27.33 3.86 -8.24 -0.54 0
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61154 26706151 1 FCl2O2N3H16C20 AB2C2D3E16F20 -53.83 9.7 -9.52 -1.06 0
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61155 26706152 1 N3O4H21C24 A3B4C21D24 -38.2 9.88 -9.26 -1.24 0
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61156 26706274 1 SN3O5C23H29 AB3C5D23E29 -184.14 10.13 -9.17 -0.81 0
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61157 26706296 1 N2O3C20H24 A2B3C20D24 -106.13 5.41 -8.74 -0.56 0
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61158 26706300 1 ClN3O3C21H24 AB3C3D21E24 -116.31 4.55 -8.95 -0.64 0
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61159 26706414 1 O2Cl3N4C23H23 A2B3C4D23E23 -48.96 4.44 -8.95 -0.72 0
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61160 26706425 1 N2O5C25H26 A2B5C25D26 -167.53 4.07 -8.96 -0.82 0
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61161 26706441 2 NO2H13C14 AB2C13D14 -92.95 5.85 -9.04 -1.01 0
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61162 26706501 1 N3O4C23H23 A3B4C23D23 -107.39 5.75 -9.26 -1.6 0
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61163 26706502 1 SN3O5C24H31 AB3C5D24E31 -176.03 7.19 -8.95 -1.02 0
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61164 26706505 1 SN3O4C24H31 AB3C4D24E31 -154.94 2.62 -8.93 -0.44 0
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61165 26706519 1 SN3O5C24H31 AB3C5D24E31 -185.08 8.23 -9.22 -1.02 0
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61166 26706538 1 BrSN2O2C18H19 ABC2D2E18F19 -31.84 3.24 -8.94 -1.28 0
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61167 26706546 1 N3O3C21H23 A3B3C21D23 -65.04 2.58 -9.44 -0.72 0
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61168 26706548 2 O2N3C10H12 A2B3C10D12 -127.43 3.97 -8.99 -0.55 0
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61169 26706557 1 SN2O2C18H20 AB2C2D18E20 -40.9 3.07 -8.86 -1.05 0
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61170 26706577 1 BrN3O4C22H22 AB3C4D22E22 -129.68 4.22 -9.03 -1.72 0
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61171 26706597 1 ClN2O3C21H21 AB2C3D21E21 -87.84 3.68 -8.98 -1.07 0
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61172 26706603 1 SO2N6C22H28 AB2C6D22E28 -21.25 7.2 -8.59 -0.83 0
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61173 26706616 1 N3O3C22H25 A3B3C22D25 -104.02 5.51 -8.83 -0.44 0
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61174 26706622 1 FO3N4C23H23 AB3C4D23E23 -92.36 8.33 -8.85 -0.94 0
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61175 26706659 1 SN3O4C23H27 AB3C4D23E27 -107.21 6.63 -9.24 -1.06 0
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61176 26706668 1 SN3O4C25H25 AB3C4D25E25 -72.64 6.49 -9.23 -1.12 0
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61177 26706683 1 N3O4C21H25 A3B4C21D25 -154.1 3.42 -9.06 -0.53 0
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61178 26706787 1 N3O4C23H23 A3B4C23D23 -112.57 5.06 -8.95 -1.24 0
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61179 26706788 1 O4N5C23H23 A4B5C23D23 -7.32 7.42 -9.21 -0.98 0
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61180 26706789 1 SN3O4C21H23 AB3C4D21E23 -116.71 3.65 -8.73 -0.63 0
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61181 26706792 1 SO2N3H19C21 AB2C3D19E21 9.26 4.47 -8.94 -1.06 0
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61182 26706794 1 N2O2C21H22 A2B2C21D22 -23.8 2.55 -8.87 -0.79 0
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61183 26706796 1 SN4O4C18H18 AB4C4D18E18 -82.79 8.73 -9.18 -1.03 0
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61184 26706813 1 FSN3O4C20H22 ABC3D4E20F22 -163.79 5.07 -9.03 -0.89 0
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61185 26706816 1 SO3N4C23H26 AB3C4D23E26 -48.57 5.46 -8.76 -1.38 0
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61186 26706837 1 BrFOSN2H16C17 ABCDE2F16G17 -21.71 4.36 -8.83 -0.75 0
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61187 26706841 1 ClSO2N4C21H21 ABC2D4E21F21 26.87 5.55 -8.88 -0.88 0
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61188 26706848 1 BrSO2N5H18C22 ABC2D5E18F22 84.71 7.58 -8.51 -1.01 0
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61189 26706851 1 BrSN3O3H20C23 ABC3D3E20F23 -33.26 6.43 -8.58 -0.92 0
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61190 26706889 1 BrNSO5C16H22 ABCD5E16F22 -193.15 4.03 -9.32 -0.52 0
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61191 26706910 1 SN4O4C26H30 AB4C4D26E30 -103.97 5.84 -8.67 -0.93 1
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61192 26706911 1 SO2N4C26H33 AB2C4D26E33 -40.33 4.33 0.0 0.0 0
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61193 26706919 1 FCl2O3N4H21C23 AB2C3D4E21F23 -96.75 10.6 -9.31 -1.1 0
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61194 26706949 1 N3O4C21H25 A3B4C21D25 -146.04 7.53 -9.0 -0.72 0
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61195 26706953 1 ClN3O3C22H24 AB3C3D22E24 -102.82 6.57 -9.26 -0.72 0
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61196 26706954 2 ON2C11H12 AB2C11D12 -3.47 6.79 -9.18 -0.42 0
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61197 26707001 1 FSN2O5C20H23 ABC2D5E20F23 -210.86 9.62 -9.02 -0.6 0
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61198 26707002 1 BrFSN2O5C19H20 ABCD2E5F19G20 -194.94 10.42 -9.12 -1.16 0
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61199 26707012 1 ClFSN2O5C19H20 ABCD2E5F19G20 -208.71 9.0 -9.09 -1.1 0
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61200 26707013 1 SN2O7C23H28 AB2C7D23E28 -226.25 9.94 -8.96 -0.55 0