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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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146165 53646364 1 S3N5O7H37C38 A3B5C7D37E38 -113.86 8.8 -8.79 -1.63 0
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146166 53646365 1 ClN2O3H9C11 AB2C3D9E11 -96.05 6.95 -9.3 -0.71 0
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146167 53646366 2 ClN2O3C8H8 AB2C3D8E8 -110.73 8.27 -9.91 -1.44 0
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146168 53646367 1 BrNS2F3H5C6 ABC2D3E5F6 -104.13 2.69 -9.07 -1.53 0
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146169 53646397 1 O4H26C27 A4B26C27 -126.89 7.61 -8.74 -1.03 0
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146170 53646512 2 NO3C16H24 AB3C16D24 -322.02 1.82 -10.05 -0.25 0
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146171 53647455 1 SO2N4C18H22 AB2C4D18E22 8.86 4.25 -8.78 0.17 0
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146172 53647511 1 SN2C5H10 AB2C5D10 10.23 7.0 -8.49 0.32 0
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146173 53647840 1 S2O6H32C33 A2B6C32D33 -134.95 7.03 -8.61 -0.25 0
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146174 53648108 1 PSC3O4H9 ABC3D4E9 -185.31 5.6 -9.97 -0.46 0
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146175 53648109 1 N2O2H22C23 A2B2C22D23 -6.13 4.2 -8.4 -0.27 0
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146176 53648157 1 NOC17H21 ABC17D21 -20.5 4.02 -8.87 0.32 0
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146177 53648484 1 O7H12C16 A7B12C16 -225.65 5.89 -9.45 -1.35 0
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146178 53648654 1 O5N6H24C25 A5B6C24D25 2.25 11.09 -9.41 -1.07 0
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146179 53648655 1 O8C25H44 A8B25C44 -442.33 5.1 -10.66 -0.22 0
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146180 53648733 1 O2H14C15 A2B14C15 -9.05 0.72 -8.92 0.04 0
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146181 53648736 1 N2O5C25H32 A2B5C25D32 -184.33 1.34 -8.06 -0.06 0
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146182 53648737 1 N2O5C25H32 A2B5C25D32 -181.16 3.18 -8.28 -0.22 0
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146183 53648795 2 NO3C18H20 AB3C18D20 -147.99 2.36 -7.88 -1.08 0
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146184 53648848 1 N2O2S3C10H18 A2B2C3D10E18 -52.47 4.87 -9.19 -1.56 0
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146185 53648849 1 FSiO4C18H29 ABC4D18E29 -269.68 1.76 -8.78 -0.69 0
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146186 53648850 1 O4N5C24H31 A4B5C24D31 -117.77 4.63 -8.58 -0.34 0
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146187 53648851 1 N2O4C15H16 A2B4C15D16 -54.64 3.07 -9.7 -1.42 0
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146188 53648852 1 O3C27H40 A3B27C40 -197.25 3.35 -9.23 0.72 0
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146189 53648853 1 NOF3C10H10 ABC3D10E10 -144.73 4.03 -9.56 -0.81 0
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146190 53648854 1 NO2C24H31 AB2C24D31 -44.65 3.17 -8.42 -0.28 0
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146191 53648855 1 N5O6C22H33 A5B6C22D33 -255.57 4.36 -9.12 -0.34 0
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146192 53649114 1 F2N2S2O3H12C18 A2B2C2D3E12F18 -143.87 5.68 -9.2 -1.41 0
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146193 53649115 1 ON2H14C17 AB2C14D17 34.86 6.73 -9.16 -1.02 0
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146194 53649116 2 NOC7H8 ABC7D8 -39.96 7.54 -9.16 -0.61 0
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146195 53649117 1 ClBr2N3O3C34H42 AB2C3D3E34F42 -110.89 4.71 -9.2 -0.89 0
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146196 53649118 1 OC26H28 AB26C28 83.24 1.5 -8.63 -0.22 0
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146197 53649447 1 O2N3C13H13 A2B3C13D13 -12.16 4.84 -8.45 -0.8 0
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146198 53649871 1 FNSO2C20H22 ABCD2E20F22 -98.91 3.84 -8.96 -0.38 0
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146199 53649872 2 NO2C6H10 AB2C6D10 -189.02 6.28 -9.26 1.02 0
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146200 53649931 1 O2N6C15H26 A2B6C15D26 -30.48 5.0 -9.22 -0.02 0
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146201 53650006 2 C4N5H9 A4B5C9 93.55 7.22 -9.18 0.36 0
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146202 53650048 1 N2O5C24H30 A2B5C24D30 -192.6 3.7 -9.13 -0.4 0
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146203 53650089 1 ClON3C14H20 ABC3D14E20 -32.36 2.98 -9.23 -0.09 0
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146204 53650588 1 NO4C11H15 AB4C11D15 -168.11 3.57 -10.19 -1.24 0
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146205 53650721 1 O3C21H26 A3B21C26 -104.79 2.84 -8.81 -0.07 0
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146206 53650762 1 O3N5H19C25 A3B5C19D25 77.58 3.41 -8.77 -1.31 1
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146207 53650810 1 N2C3H7 A2B3C7 38.96 2.97 0.0 0.0 0
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146208 53651090 1 NSO2F3H12C17 ABC2D3E12F17 -165.71 3.7 -8.39 -1.08 0
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146209 53651091 1 IN4H23C32 AB4C23D32 230.63 4.0 -7.94 -1.54 0
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146210 53651092 2 OC9H12 AB9C12 -72.67 3.1 -8.14 0.35 0
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146211 53651168 1 SN3O4H17C19 AB3C4D17E19 -56.71 2.67 -8.78 -1.16 1
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146212 53651169 1 N5O6C29H42 A5B6C29D42 -142.71 5.55 0.0 0.0 0
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146213 53651543 1 SSiN4O6C29H46 ABC4D6E29F46 -266.68 6.24 -8.6 -0.53 0
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146214 53651544 1 ClS2N3O5C21H22 AB2C3D5E21F22 -125.89 2.61 -8.78 -1.65 0
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146215 53651749 1 ON4C9H10 AB4C9D10 79.13 6.38 -9.46 -0.97 0
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146216 53651962 2 NO2C18H24 AB2C18D24 -143.49 3.49 -8.45 0.02 0
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146217 53652663 2 HNC3F3 ABC3D3 -266.58 2.66 -11.22 -2.15 0
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146218 53652995 1 ON4C16H16 AB4C16D16 27.24 8.87 -8.71 -0.51 0
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146219 53652996 1 SO5H14C21 AB5C14D21 -107.52 7.53 -9.12 -1.36 0
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146220 53653267 2 NH7C11 AB7C11 135.74 3.74 -9.01 -1.03 0
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146221 53653641 1 N2O8C35H42 A2B8C35D42 -276.74 9.11 -8.58 -1.08 0
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146222 53653662 1 O2H14C19 A2B14C19 10.77 5.39 -8.7 -1.82 0
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146223 53653663 1 FSO3C15H17 ABC3D15E17 -174.36 3.24 -8.85 -0.57 0
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146224 53653774 1 O3N10C22H36 A3B10C22D36 -83.08 1.8 -9.39 -0.09 0
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146225 53654029 2 OC7H13 AB7C13 -131.66 2.55 -9.21 0.5 0
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146226 53654030 1 NO4C11H17 AB4C11D17 -177.34 1.98 -9.57 -0.2 0
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146227 53654165 1 SN7O9C53H61 AB7C9D53E61 -259.11 7.19 -9.02 -0.29 0
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146228 53654452 1 N2O2S2C19H34 A2B2C2D19E34 -113.97 7.68 -8.59 -0.38 0
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146229 53655413 2 PO5C11H13 AB5C11D13 -493.02 4.59 -9.42 -1.57 0
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146230 53655414 1 N4P4C18O21H26 A4B4C18D21E26 -1161.53 7.81 -9.98 -1.03 0
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146231 53655531 2 ClON2H8C12 ABC2D8E12 36.43 7.19 -8.78 -1.3 0
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146232 53655633 1 SO5N6C13H16 AB5C6D13E16 -121.05 9.76 -9.43 -0.82 0
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146233 53655968 1 BrO2H17C18 AB2C17D18 7.3 2.72 -8.85 -0.45 0
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146234 53656268 1 N3O4C15H29 A3B4C15D29 -176.71 3.12 -8.9 0.1 0
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146235 53656403 1 N4O5C28H30 A4B5C28D30 -42.04 4.74 -9.05 -1.44 0
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146236 53657603 1 O5C12H14 A5B12C14 -193.2 6.48 -9.42 -0.43 0
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146237 53657610 1 OC15H18 AB15C18 -26.6 2.8 -9.07 0.4 0
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146238 53658226 1 NSO7H21C23 ABC7D21E23 -225.11 4.86 -9.18 -0.82 0
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146239 53658227 1 NO2C8H17 AB2C8D17 -119.89 2.24 -9.46 1.03 0
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146240 53658419 1 ClSN6C11H15 ABC6D11E15 97.25 9.16 -9.39 -1.12 0
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146241 53658799 2 NO3H6C7 AB3C6D7 -42.08 4.36 -9.36 -1.39 0
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146242 53658982 1 NOC24H45 ABC24D45 -122.78 4.35 -9.22 1.17 0
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146243 53659167 1 N3O6H17C20 A3B6C17D20 -164.37 7.19 -8.91 -1.35 0
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146244 53659208 1 F3N3O9C30H34 A3B3C9D30E34 -402.04 11.38 -9.18 -1.45 0
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146245 53659209 1 NSO4C24H27 ABC4D24E27 -146.42 4.26 -9.03 -0.18 0
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146246 53659210 2 O2C10H17 A2B10C17 -225.05 5.81 -9.33 1.22 0
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146247 53659247 1 NO3C17H19 AB3C17D19 -82.83 3.7 -9.53 -0.89 0
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146248 53659248 2 NC7H10 AB7C10 13.93 1.9 -8.93 0.31 0
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146249 53659284 1 FNO6H18C24 ABC6D18E24 -176.32 8.31 -9.26 -0.95 0
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146250 53659285 1 O8C29H58 A8B29C58 -461.6 5.79 -10.04 0.79 0
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146251 53659385 1 Cl2N5H21C26 A2B5C21D26 193.04 6.61 -7.62 -1.35 0
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146252 53659386 1 BrClNO2C9H9 ABCD2E9F9 -75.14 3.04 -9.65 -1.23 0
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146253 53659387 1 N3O4C22H25 A3B4C22D25 -107.59 8.16 -8.65 -0.1 0
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146254 53659388 1 N2O4C31H44 A2B4C31D44 -168.48 5.58 -8.93 -0.95 0
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146255 53659389 1 FO3C21H25 AB3C21D25 -150.19 4.82 -8.87 -0.62 0
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146256 53659452 1 N5O5C31H39 A5B5C31D39 -179.53 6.39 -8.47 -0.44 0
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146257 53659914 1 ON3C8H11 AB3C8D11 -11.43 3.27 -9.83 -0.12 0
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146258 53659915 1 N4O6C33H44 A4B6C33D44 -212.46 7.06 -8.52 -0.51 0
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146259 53660461 1 BrON2H17C19 ABC2D17E19 40.06 5.49 -9.04 -0.55 0
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146260 53660652 1 FNO4H30C34 ABC4D30E34 -112.55 4.83 -8.82 -0.75 0
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146261 53660653 1 FNO4H30C34 ABC4D30E34 -110.69 3.01 -8.94 -0.62 0
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146262 53660928 1 FON5C24H28 ABC5D24E28 25.74 3.77 -8.85 -0.37 0
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146263 53661158 1 N4C15H20 A4B15C20 43.48 2.33 -9.07 -0.79 0
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146264 53661324 1 OCl2N4C12H14 AB2C4D12E14 -10.69 7.56 -9.84 -0.68 0