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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162171 57393828 1 O9C29H34 A9B29C34 -331.39 2.25 -8.65 -0.2 0
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162172 57393831 1 N5O6C30H33 A5B6C30D33 -188.32 6.14 -8.86 -0.96 0
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162173 57393835 1 N5H23C24 A5B23C24 162.99 5.6 -9.29 -0.61 0
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162174 57393836 1 N2S3O4H12C13 A2B3C4D12E13 -61.57 5.98 -9.45 -1.39 0
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162175 57393844 1 N2S2O4H14C15 A2B2C4D14E15 0.87 10.61 -9.66 -1.95 0
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162177 57393847 1 O2S2N3H11C17 A2B2C3D11E17 74.77 7.26 -9.0 -1.66 0
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162178 57393848 1 OS2N5H7C13 AB2C5D7E13 133.2 4.84 -9.15 -1.76 0
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162179 57393854 1 ClFN2O3C28H32 ABC2D3E28F32 -136.83 6.67 -8.74 -0.79 0
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162180 57393858 2 NO3C13H19 AB3C13D19 -191.45 7.1 -10.6 -2.05 0
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162181 57393863 1 NSO6C35H37 ABC6D35E37 -178.37 7.09 -8.84 -0.96 0
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162182 57393864 1 SN2O6C30H34 AB2C6D30E34 -183.55 3.1 -9.04 -1.04 0
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162184 57393871 1 BrN2O2H16C21 AB2C2D16E21 -2.9 1.39 0.0 0.0 0
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162185 57393876 1 SO2N3C20H27 AB2C3D20E27 -28.83 5.69 -8.72 -0.73 0
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162186 57393881 1 ClF2N2O3C29H33 AB2C2D3E29F33 -192.65 1.22 -8.81 -0.78 0
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162187 57393884 1 F2N3O3C28H31 A2B3C3D28E31 -150.05 8.47 -8.53 -0.86 0
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162189 57393891 1 NO3H17C20 AB3C17D20 -55.6 4.89 -9.36 -0.88 0
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162190 57393894 1 OF2N4H12C19 AB2C4D12E19 -28.2 4.76 -9.08 -1.4 0
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162191 57393895 1 OSBr2N3H11C14 ABC2D3E11F14 30.09 2.84 -9.31 -1.12 0
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162192 57393898 1 NS2O3C16H29 AB2C3D16E29 -147.42 3.73 -8.15 -0.61 0
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162193 57393901 3 FNOC7H8 ABCD7E8 -216.45 6.96 -9.4 -0.53 0
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162195 57393913 1 Cl2N2O3H24C26 A2B2C3D24E26 -29.78 4.75 -8.54 -0.6 0
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162196 57393914 1 FSN3O5H30C32 ABC3D5E30F32 -113.52 8.34 -8.6 -0.66 0
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162197 57393916 1 N2O3H12C16 A2B3C12D16 -4.04 5.35 -8.9 -1.12 0
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162198 57393922 1 N2O2C13H16 A2B2C13D16 -13.25 2.38 -8.86 -0.15 0
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162199 57393923 2 ClON2C20H22 ABC2D20E22 -23.22 6.39 -8.33 -0.3 0
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162200 57393924 2 ClON2C20H22 ABC2D20E22 -18.47 8.84 -8.21 -0.27 0
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162203 57393929 1 ClN2O2C19H31 AB2C2D19E31 -112.33 6.18 -8.67 -0.34 0
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162204 57393936 1 NOC23H29 ABC23D29 -5.33 2.47 -8.64 0.34 0
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162205 57393937 1 ClNOC18H22 ABCD18E22 -31.52 1.59 -8.75 -0.61 0
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162206 57393939 1 BrOS2N6H17C23 ABC2D6E17F23 148.54 8.7 -8.54 -1.43 0
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162207 57393940 1 ClFO3H10C14 ABC3D10E14 -122.79 2.89 -9.9 -1.11 0
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162209 57393942 1 N10C17H22 A10B17C22 209.61 3.66 -9.25 -0.78 0
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162210 57393949 1 SO5H22C25 AB5C22D25 -87.04 9.78 -9.35 -1.21 0
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162211 57393951 1 ClN2O2F3C20H24 AB2C2D3E20F24 -239.52 3.81 -9.03 -0.69 0
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162212 57393956 1 ClO6C19H21 AB6C19D21 -221.32 3.61 -8.89 -0.43 0
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162215 57393968 1 OSN2C9H14 ABC2D9E14 -31.44 5.09 -9.09 -0.76 0
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162216 57393969 1 O2N5C24H29 A2B5C24D29 -14.22 7.39 -8.8 -0.76 0
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162217 57393971 1 SN3O3H21C23 AB3C3D21E23 -53.73 6.15 -9.11 -0.73 0
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162218 57393972 1 O2N3H17C21 A2B3C17D21 28.36 1.68 -9.21 -0.86 0
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162219 57393973 1 FOSN3H16C19 ABCD3E16F19 12.09 8.02 -9.11 -1.04 0
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162220 57393974 1 SO2N3H19C20 AB2C3D19E20 23.54 9.74 -8.77 -0.74 0
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162221 57393981 1 SN2O3H18C19 AB2C3D18E19 -32.89 4.5 -9.07 -1.24 0
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162223 57393985 1 S2N3O10C28H29 A2B3C10D28E29 -303.86 5.41 -8.73 -1.22 0
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162224 57393986 1 BrN2S2O10H29C33 AB2C2D10E29F33 -263.56 4.27 -8.69 -1.6 0
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162225 57393987 1 SN3O9C32H45 AB3C9D32E45 -376.06 5.78 -9.35 -0.35 0
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162226 57393991 1 ClO3C17H23 AB3C17D23 -139.41 5.68 -9.52 -0.35 0
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162227 57393994 1 ClSN3O5H14C17 ABC3D5E14F17 -105.74 8.2 -9.45 -1.35 0
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162228 57393996 1 BrN3C15H18 AB3C15D18 36.34 5.2 -9.04 -0.71 0
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162229 57393997 1 BrN4H17C18 AB4C17D18 84.83 4.23 -9.22 -0.83 0
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162230 57394001 2 NO2C15H18 AB2C15D18 -145.64 8.52 -9.06 -1.02 0
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162231 57394002 1 ON7C22H23 AB7C22D23 78.17 4.29 -8.04 -1.06 0
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162232 57394005 4 O3C8H8 A3B8C8 -457.62 0.9 -8.75 -1.2 0
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162233 57394014 1 ON4C18H20 AB4C18D20 18.2 7.08 -9.02 -0.78 0
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162234 57394017 1 Cl2N3H15C20 A2B3C15D20 97.91 5.51 -9.17 -1.02 0
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162235 57394018 1 N3H19C21 A3B19C21 107.79 4.76 -8.88 -0.66 0
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162236 57394019 2 NO3C7H12 AB3C7D12 -299.91 7.31 -10.28 -0.25 0
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162237 57394022 1 ClO2N5C16H18 AB2C5D16E18 -40.29 6.18 -8.72 -0.43 0
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162238 57394024 1 O2N5C27H31 A2B5C27D31 29.9 2.78 -8.27 -0.72 0
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162239 57394025 1 SN2O9C27H30 AB2C9D27E30 -312.66 5.56 -8.74 -0.37 0
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162240 57394028 1 N4O7C40H40 A4B7C40D40 -99.62 7.23 -8.63 -1.24 0
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162241 57394032 1 SN3O4C15H15 AB3C4D15E15 -100.47 6.65 -8.64 -1.22 0
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162243 57394038 1 N3O6H23C26 A3B6C23D26 -207.46 9.74 -9.11 -1.62 0
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162244 57394039 1 SN3O7C21H21 AB3C7D21E21 -168.69 5.04 -9.57 -1.54 0
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162245 57394045 1 SO2N6C29H36 AB2C6D29E36 -4.94 3.75 -8.51 -0.77 0
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162246 57394046 1 N5O5C24H27 A5B5C24D27 -121.7 5.28 -9.02 -1.05 0
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162249 57394053 1 ClN3O3S3C18H20 AB3C3D3E18F20 -77.31 1.75 -8.92 -1.21 0
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162250 57394055 1 BrN3O3S3C18H20 AB3C3D3E18F20 -83.8 3.36 -8.91 -1.28 0
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162251 57394057 1 FO2N5C30H38 AB2C5D30E38 -67.3 2.37 -8.2 -0.61 0
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162252 57394058 1 ON6C31H38 AB6C31D38 46.62 6.14 -8.8 -1.21 0
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162253 57394066 1 O8H18C19 A8B18C19 -238.91 3.53 -8.82 -1.08 0
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162254 57394071 1 NO6H21C26 AB6C21D26 -130.49 5.62 -8.96 -0.97 0
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162255 57394078 1 NPO3C24H24 ABC3D24E24 -105.33 2.3 -8.37 -1.14 0
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162256 57394079 1 N2O3F6H24C26 A2B3C6D24E26 -360.98 10.16 -8.53 -1.69 0
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162257 57394084 1 O2N3C13H13 A2B3C13D13 -39.81 2.73 -8.85 -0.82 0
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162258 57394085 1 O2N5H15C16 A2B5C15D16 -3.15 4.86 -8.91 -1.05 0
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162259 57394091 1 O17N24C91H122 A17B24C91D122 -445.32 4.68 -8.86 -1.95 0
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162260 57394093 1 NO7H27C32 AB7C27D32 -168.19 4.97 -8.78 -1.22 0
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162264 57394109 1 ClO4H25C28 AB4C25D28 -55.32 4.13 -8.57 -0.8 0
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162265 57394110 2 ClO2H12C14 AB2C12D14 -61.24 3.82 -8.58 -0.95 0
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162266 57394112 1 FO4H27C29 AB4C27D29 -98.65 3.12 -8.63 -0.77 0
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162267 57394115 2 OH6C9 AB6C9 30.64 3.36 -9.22 -1.17 0
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162268 57394120 1 FN2O2H15C20 AB2C2D15E20 -32.77 3.29 -8.98 -1.11 0
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162271 57394139 1 BrNO4H14C18 ABC4D14E18 -81.56 2.47 -8.91 -1.14 0
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162272 57394142 1 O3N5H25C30 A3B5C25D30 55.46 3.09 -8.9 -1.9 0
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162273 57394154 1 ClO3N5C17H20 AB3C5D17E20 -70.57 4.37 -9.32 -0.84 0
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162274 57394155 1 ClO3N5C17H20 AB3C5D17E20 -71.0 3.83 -8.99 -0.8 0
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162275 57394157 1 ClN3O3H20C22 AB3C3D20E22 -15.94 4.99 -8.46 -1.03 0
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162276 57394161 2 ON2H9C10 AB2C9D10 15.33 2.14 -9.04 -0.97 0
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162277 57394163 1 O3N4H16C20 A3B4C16D20 -13.48 4.72 -9.0 -1.1 0
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162278 57394168 1 S2N3O3C12H13 A2B3C3D12E13 -69.0 4.35 -9.66 -1.15 1
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162279 57394170 1 SN2O2C32H41 AB2C2D32E41 -20.95 1.25 0.0 0.0 0
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162280 57394172 1 FON5H28C30 ABC5D28E30 33.77 8.23 -8.69 -0.67 0
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162281 57394174 1 OF2N5H27C30 AB2C5D27E30 -13.55 8.14 -8.77 -0.88 0
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162282 57394175 1 OF3N6H25C29 AB3C6D25E29 -45.23 5.56 -8.82 -1.06 0
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162283 57394177 1 ClSN5O5C30H38 ABC5D5E30F38 -187.32 1.33 -8.8 -1.28 0
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162284 57394178 1 SO2N7C27H33 AB2C7D27E33 35.45 6.94 -8.15 -0.85 0
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162285 57394179 1 ClSO2N7C27H32 ABC2D7E27F32 27.79 4.76 -8.38 -1.12 0
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162287 57394191 1 SN2O4C15H16 AB2C4D15E16 -61.65 7.56 -8.64 -0.82 0
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162288 57394194 1 NO3F7H32C34 AB3C7D32E34 -440.65 7.34 -8.95 -1.4 0
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162289 57394197 1 OSN4C30H30 ABC4D30E30 71.59 6.48 -8.85 -0.81 0