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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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414220 135087176 1 N2O4H18C19 A2B4C18D19 -93.37 1.83 -8.09 -0.88 0
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414221 135087177 1 ClN2O2C17H21 AB2C2D17E21 -88.99 3.99 -8.39 -0.25 0
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414222 135087178 1 N3O4C13H13 A3B4C13D13 7.06 8.13 -9.01 -1.6 0
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414223 135087179 1 N2O3C14H16 A2B3C14D16 -5.75 3.13 -8.71 -1.51 0
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414224 135087180 1 ON2C23H24 AB2C23D24 72.5 3.09 -8.16 -0.74 0
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414225 135087181 2 NH13C14 AB13C14 140.53 2.51 -8.1 -0.64 0
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414226 135087182 1 ON2H18C20 AB2C18D20 82.79 2.84 -8.56 -0.35 0
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414227 135087183 1 BrNOH10C15 ABCD10E15 37.94 1.72 -8.89 -1.02 1
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414228 135087184 1 ClN4H10C12 AB4C10D12 123.29 2.32 0.0 0.0 1
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414229 135087185 1 F3N4H10C13 A3B4C10D13 -29.97 1.35 0.0 0.0 1
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414230 135087186 1 N4C13H13 A4B13C13 122.23 4.6 0.0 0.0 0
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414231 135087187 1 N2O2C15H16 A2B2C15D16 -26.09 2.59 -8.22 -0.57 0
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414232 135087188 1 SO2N4H16C17 AB2C4D16E17 33.75 3.21 -8.56 -0.71 0
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414233 135087189 1 N2O2F5H13C19 A2B2C5D13E19 -199.85 3.4 -8.54 -1.75 0
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414234 135087190 1 NOS2C11H11 ABC2D11E11 -8.75 1.21 -8.75 -0.65 0
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414235 135087191 1 ClO2S2N4H23C24 AB2C2D4E23F24 6.65 5.57 -8.63 -0.99 1
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414236 135087192 1 ClO2S2N4C24H24 AB2C2D4E24F24 13.77 4.89 0.0 0.0 0
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414237 135087193 1 O5C11H12 A5B11C12 -203.61 3.88 -9.55 -0.62 0
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414238 135087194 1 O2C5H10 A2B5C10 -102.25 2.72 -9.8 2.02 0
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414239 135087195 2 O2S3N4C60H89 A2B3C4D60E89 -189.7 1.98 -8.44 -1.91 0
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414240 135087196 2 O2S3N4C60H89 A2B3C4D60E89 -179.35 2.6 -8.29 -2.0 0
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414241 135087197 1 SF2O4N7C25H29 AB2C4D7E25F29 -143.92 7.76 -8.27 -0.66 0
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414242 135087198 1 OF2N7C18H21 AB2C7D18E21 -26.11 0.49 -8.3 0.0 0
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414243 135087199 1 N2S2O3C14H22 A2B2C3D14E22 -43.53 4.0 -8.69 -0.48 0
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414244 135087200 1 ClON6C14H19 ABC6D14E19 -1.24 4.08 -8.64 0.0 0
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414245 135087201 1 OSN4C15H20 ABC4D15E20 9.91 1.68 -8.88 -0.89 0
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414246 135087202 1 FNSO4C21H24 ABCD4E21F24 -174.76 5.96 -9.06 -0.07 0
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414247 135087203 1 F2N2O3C18H20 A2B2C3D18E20 -150.73 1.89 -9.7 -0.48 0
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414248 135087204 2 ON2C11H13 AB2C11D13 -26.68 5.08 -8.37 -0.01 0
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414249 135087205 1 SN6O7C36H46 AB6C7D36E46 -200.63 8.6 -8.71 -0.72 0
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414250 135087206 1 N2O3C18H26 A2B3C18D26 -115.57 4.43 -8.91 -0.65 0
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414251 135087207 1 SN2O3C14H22 AB2C3D14E22 -114.4 6.33 -9.83 -0.07 0
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414252 135087208 1 SO2N6C16H24 AB2C6D16E24 -8.38 4.77 -9.53 -0.86 0
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414253 135087209 1 F2O2N5C14H15 A2B2C5D14E15 -105.35 4.55 -9.42 -0.98 0
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414254 135087210 1 N4O4C15H18 A4B4C15D18 -136.79 1.87 -10.01 -0.6 0
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414256 135087212 1 SN2O4C21H22 AB2C4D21E22 -91.17 4.62 -8.78 -1.22 0
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414257 135087213 1 O4N5C18H23 A4B5C18D23 -71.91 4.35 -9.22 -0.94 0
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414258 135087214 1 N2O2C19H24 A2B2C19D24 -68.0 3.41 -8.54 -0.04 0
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414259 135087215 3 NOC5H7 ABC5D7 -39.08 6.69 -9.33 0.04 0
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414260 135087216 2 ON2C11H14 AB2C11D14 -24.22 5.49 -7.96 0.35 0
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414261 135087217 1 SO7N9C37H47 AB7C9D37E47 -182.95 8.46 -8.37 -1.02 0
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414262 135087218 2 NOC7H11 ABC7D11 -80.74 3.21 -8.86 0.41 0
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414263 135087219 1 FN3O4C18H20 AB3C4D18E20 -121.6 2.42 -8.93 -1.45 0
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414264 135087220 1 OSN6C16H18 ABC6D16E18 54.18 7.32 -8.53 -0.44 0
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414265 135087221 1 N5C23H25 A5B23C25 84.98 4.74 -8.68 -0.74 0
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414266 135087222 1 ClN2O3H21C22 AB2C3D21E22 -65.08 3.82 -9.31 -0.7 0
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414267 135087223 1 ON3C20H25 AB3C20D25 6.69 6.67 -8.17 -0.23 0
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414268 135087224 1 O3N5C17H17 A3B5C17D17 22.75 7.76 -9.21 -1.09 0
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414269 135087225 1 SO3N4C16H28 AB3C4D16E28 -110.06 6.83 -8.32 0.23 0
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414270 135087226 1 S2O6N9C36H49 A2B6C9D36E49 -195.62 15.13 -8.35 -1.23 0