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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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218328 85089180 1 O4C29H36 A4B29C36 -138.48 2.59 -9.34 0.05 0
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218329 85089181 1 N2O3C28H36 A2B3C28D36 -134.02 3.81 -8.73 -0.28 0
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218330 85089182 1 SN2O6C21H40 AB2C6D21E40 -312.02 5.05 -9.14 0.02 0
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218331 85089183 1 O5C27H44 A5B27C44 -281.2 10.71 -9.18 -0.56 0
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218332 85089184 1 SiO4C26H44 AB4C26D44 -232.08 4.28 -8.77 0.42 2
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218334 85089186 1 INO2C21H26 ABC2D21E26 -51.76 2.44 -8.84 -1.0 0
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218335 85089187 1 N5O7C20H27 A5B7C20D27 -128.48 7.79 -9.99 -1.12 0
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218336 85089196 1 IO2C22H27 AB2C22D27 -53.65 2.07 -8.81 -0.78 0
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218337 85089198 1 O3N4H20C27 A3B4C20D27 71.72 6.47 -9.17 -2.12 0
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218338 85089200 1 O7C25H38 A7B25C38 -290.7 0.86 -8.75 -0.34 0
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218339 85089201 1 O5C28H34 A5B28C34 -152.24 3.12 -8.66 -0.01 0
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218340 85089203 2 SN2O2C10H13 AB2C2D10E13 -127.86 5.88 -9.06 -0.76 0
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218341 85089204 1 SSiO4C24H38 ABC4D24E38 -252.52 3.99 -8.82 -0.18 0
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218342 85089205 1 ClSO3N4C21H27 ABC3D4E21F27 -94.08 6.69 -8.36 -0.94 0
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218343 85089206 1 ClN2O2C27H31 AB2C2D27E31 -44.47 5.0 -9.02 -0.34 0
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218344 85089207 1 BrO7H19C20 AB7C19D20 -241.92 8.06 -8.57 -1.12 0
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218345 85089208 1 PN3O8C19H24 AB3C8D19E24 -366.62 6.94 -10.18 -0.64 0
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218346 85089209 1 PN5O7C18H22 AB5C7D18E22 -275.43 3.33 -9.4 -0.87 0
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218347 85089210 1 FN3O7C21H28 AB3C7D21E28 -337.76 1.97 -8.53 -0.28 0
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218348 85089211 1 SN3O8C19H21 AB3C8D19E21 -212.74 4.85 -9.14 -0.92 0
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218349 85089212 1 O4N7C22H27 A4B7C22D27 -86.03 5.64 -9.08 -0.79 0
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218350 85089213 1 SN5O6C19H25 AB5C6D19E25 -167.74 8.63 -9.29 -1.38 0
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218351 85089214 1 SN3O6C21H29 AB3C6D21E29 -277.52 5.44 -9.13 -0.59 0
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218352 85089215 1 SO2N7C22H29 AB2C7D22E29 8.13 3.24 -8.62 -0.42 0
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218353 85089216 1 NO5C27H33 AB5C27D33 -152.84 1.72 -8.3 -0.34 0
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218354 85089218 1 BrSi2O3C19H39 AB2C3D19E39 -258.61 2.75 -8.9 -0.34 0
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218355 85089220 1 NO2C30H45 AB2C30D45 -69.62 13.4 -7.46 -1.03 0
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218356 85089222 1 ClS3O4N5C14H18 AB3C4D5E14F18 -67.45 5.78 -9.21 -1.21 0
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218357 85089223 1 Br2N2O4C15H20 A2B2C4D15E20 -157.18 3.57 -7.91 -0.28 0
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218358 85089224 1 Cl2O2N3C23H31 A2B2C3D23E31 -42.26 12.34 -8.21 -0.61 0
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218359 85089226 1 O8H24C25 A8B24C25 -273.53 3.17 -8.77 -1.18 0
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218360 85089227 1 N4O6C23H24 A4B6C23D24 -186.82 4.13 -9.63 -0.99 0
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218361 85089228 1 N2O6C25H28 A2B6C25D28 -204.73 6.16 -8.62 -0.45 0
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218362 85089230 2 ON3H12C13 AB3C12D13 90.41 5.15 -9.32 -0.82 0
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218363 85089231 1 ON8C25H28 AB8C25D28 175.71 6.32 -8.7 -0.95 0
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218364 85089232 1 SN4O4C23H24 AB4C4D23E24 -61.47 6.07 -8.44 -1.26 0
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218365 85089234 1 N2O5C26H32 A2B5C26D32 -187.64 7.35 -9.7 -0.63 0
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218366 85089235 2 N4C13H16 A4B13C16 157.63 4.23 -8.66 -0.27 0
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218367 85089236 1 SN2O4C25H30 AB2C4D25E30 -136.48 7.0 -9.31 -0.2 0
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218368 85089237 1 N2S3O5C19H20 A2B3C5D19E20 -115.4 9.2 -9.37 -1.29 0
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218369 85089238 1 SO3N4C24H28 AB3C4D24E28 -41.76 3.21 -8.93 -1.35 0
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218370 85089240 1 O3C30H44 A3B30C44 -153.68 4.09 -8.5 -0.49 0
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218372 85089242 1 ClN4O6C20H27 AB4C6D20E27 -247.25 5.8 -9.47 -1.04 0
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218373 85089243 1 ClSO4N6C18H21 ABC4D6E18F21 -104.01 2.56 -9.26 -1.3 0
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218374 85089244 1 ClSSiN2O6C17H31 ABCD2E6F17G31 -350.82 5.16 -9.35 -1.29 0
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218375 85089245 1 PN5O8C17H22 AB5C8D17E22 -326.66 4.5 -9.15 -0.27 0
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218376 85089246 1 F2N3O4H21C24 A2B3C4D21E24 -107.18 3.9 -8.34 -1.19 0
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218377 85089247 1 NO9C22H31 AB9C22D31 -398.29 4.25 -9.79 -0.72 1
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218378 85089248 1 N5O5C23H28 A5B5C23D28 -153.27 5.17 0.0 0.0 0
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218379 85089249 1 S2N3O6C19H23 A2B3C6D19E23 -205.06 1.54 -9.45 -0.96 0