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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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216398 85086162 1 NO2H13C17 AB2C13D17 22.87 4.14 -9.38 -0.84 0
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216399 85086163 1 ON3C16H17 AB3C16D17 40.21 2.93 -8.65 0.02 0
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216400 85086164 1 FNO2C15H18 ABC2D15E18 -79.47 4.0 -9.38 -0.69 0
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216401 85086165 1 NO3C15H21 AB3C15D21 -129.97 3.67 -8.72 0.29 0
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216402 85086175 1 ON4H12C15 AB4C12D15 100.28 3.14 -8.75 -0.73 0
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216403 85086177 1 SN2O3C12H12 AB2C3D12E12 -36.34 6.79 -8.8 -1.15 0
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216404 85086182 1 OF3C14H23 AB3C14D23 -228.21 5.4 -11.0 -1.13 0
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216405 85086189 1 NO7C10H19 AB7C10D19 -318.09 3.35 -9.89 0.93 0
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216406 85086190 1 FN3C16H16 AB3C16D16 24.49 4.58 -8.62 0.04 1
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216407 85086191 1 ON4H13C15 AB4C13D15 80.38 0.7 0.0 0.0 0
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216408 85086192 1 NO4C14H19 AB4C14D19 -119.18 7.44 -8.94 -0.43 0
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216409 85086193 1 NO4C14H19 AB4C14D19 -186.7 2.15 -9.94 0.03 0
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216410 85086194 1 N3O3C13H19 A3B3C13D19 -123.44 1.82 -10.11 -0.55 0
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216411 85086195 1 FNO2C15H20 ABC2D15E20 -116.83 1.6 -9.33 0.2 0
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216412 85086196 1 NO3C15H23 AB3C15D23 -124.19 1.31 -9.01 0.81 0
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216413 85086197 1 NSO2C14H19 ABC2D14E19 -46.22 5.16 -8.65 -0.24 0
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216414 85086201 2 ON2H5C7 AB2C5D7 57.21 4.04 -9.14 -2.08 0
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216415 85086202 1 N2F3H13C14 A2B3C13D14 -80.32 5.73 -9.53 -0.94 0
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216416 85086203 1 SN2O4C11H12 AB2C4D11E12 -72.78 3.26 -9.36 -0.7 0
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216417 85086204 1 O4C15H22 A4B15C22 -155.8 2.24 -10.0 -0.09 0
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216418 85086205 1 O4C15H22 A4B15C22 -200.82 7.83 -10.46 0.58 0
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216419 85086207 1 O3C16H26 A3B16C26 -107.17 4.38 -9.25 0.68 0
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216420 85086210 2 NC9H11 AB9C11 61.41 2.65 -8.22 -0.12 0
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216421 85086211 1 O2C17H30 A2B17C30 -142.93 1.46 -8.67 0.84 0
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216422 85086214 1 SCl2N2O2C7H8 AB2C2D2E7F8 -84.04 5.58 -9.23 -0.7 0
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216423 85086217 1 OSN3H9C14 ABC3D9E14 95.12 7.07 -9.16 -1.66 0
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216424 85086219 1 NO2C17H17 AB2C17D17 -41.69 3.96 -9.02 -0.28 0
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216425 85086220 1 NO3C15H25 AB3C15D25 -132.84 8.38 -8.37 0.29 0
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216426 85086221 1 NOC18H21 ABC18D21 39.86 1.48 -9.31 -0.16 0
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216427 85086222 1 NSiC17H21 ABC17D21 45.83 4.54 -9.07 -0.24 0
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216428 85086223 1 ClO3N5C9H10 AB3C5D9E10 -22.59 8.73 -9.67 -1.47 0
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216429 85086225 1 PN2O6C8H17 AB2C6D8E17 -341.85 6.6 -9.96 -0.22 0
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216430 85086227 1 PO6C10H21 AB6C10D21 -361.78 3.7 -10.51 0.6 0
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216431 85086228 1 N2O3H12C15 A2B3C12D15 -30.46 6.49 -10.04 -1.77 0
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216432 85086231 2 ON2H6C7 AB2C6D7 25.32 7.66 -10.24 -2.18 0
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216433 85086236 2 OC9H10 AB9C10 -32.26 1.39 -8.07 -0.19 0
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216434 85086237 1 SO3C14H20 AB3C14D20 -135.78 3.39 -8.69 -0.11 0
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216435 85086238 1 NPC16H32 ABC16D32 -37.98 8.95 -7.26 2.0 0
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216436 85086239 1 SiC18H24 AB18C24 27.01 0.74 -9.19 0.22 0
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216437 85086240 1 ClN2O2C13H17 AB2C2D13E17 -32.9 0.82 -9.19 -0.46 0
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216438 85086241 1 BrN2O2H9C10 AB2C2D9E10 -1.44 6.33 -9.81 -2.0 0
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216439 85086242 1 NO4H11C15 AB4C11D15 -57.49 9.11 -8.8 -1.81 0
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216440 85086243 1 N3O3C14H15 A3B3C14D15 -75.23 10.29 -10.17 -0.83 0
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216441 85086244 1 FON3H14C15 ABC3D14E15 -6.06 4.14 -8.31 -0.8 0
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216442 85086245 1 NO5C13H19 AB5C13D19 -233.4 0.44 -9.66 -0.42 0
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216443 85086246 1 O2N3C15H17 A2B3C15D17 -46.52 5.45 -9.08 0.07 0
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216444 85086248 1 NOC18H23 ABC18D23 -40.64 4.04 -8.43 0.3 0
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216445 85086249 1 NO2C16H31 AB2C16D31 -115.52 1.38 -8.77 1.31 0
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216446 85086250 1 ClNO3C13H16 ABC3D13E16 -127.4 4.7 -9.84 -0.17 0
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216447 85086251 1 ClNOC16H20 ABCD16E20 -40.94 4.0 -9.42 -0.05 0
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216448 85086253 2 NO2H4C7 AB2C4D7 -27.97 8.84 -10.08 -2.54 0
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216449 85086254 1 N4O5C10H14 A4B5C10D14 -162.4 1.28 -9.73 -0.67 0
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216450 85086255 1 O6C13H18 A6B13C18 -230.66 5.27 -9.4 -0.68 0
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216451 85086256 1 O5C14H22 A5B14C22 -216.01 2.23 -9.62 0.6 0
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216452 85086257 1 N2O4C13H22 A2B4C13D22 -200.69 4.56 -9.98 0.29 0
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216453 85086258 1 SO4C13H18 AB4C13D18 -150.93 6.13 -10.18 -0.74 0
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216454 85086259 1 SO4C13H18 AB4C13D18 -131.42 3.23 -9.98 -0.58 0
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216455 85086260 1 SN2O3C12H18 AB2C3D12E18 -112.07 4.15 -9.55 -0.08 0
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216456 85086261 1 O4C15H26 A4B15C26 -208.46 1.53 -9.74 0.94 0
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216457 85086262 1 O4C15H26 A4B15C26 -166.34 1.83 -9.78 0.97 0
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216458 85086263 1 O4C15H26 A4B15C26 -192.11 2.53 -9.69 1.0 0
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216459 85086269 1 SeO4C10H14 AB4C10D14 -138.24 6.77 -9.42 -0.82 0
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216460 85086271 1 NO6C12H17 AB6C12D17 -157.24 3.59 -9.64 -0.17 0
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216461 85086272 1 N5H9C16 A5B9C16 172.94 4.35 -9.78 -1.63 0
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216462 85086273 1 NO5C13H21 AB5C13D21 -223.46 3.87 -9.84 0.38 0
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216463 85086274 1 NO3C16H17 AB3C16D17 -53.41 2.19 -9.66 -0.17 0
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216464 85086275 1 O2N3C15H17 A2B3C15D17 38.22 3.36 -8.88 -0.67 0
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216465 85086277 1 NSO2H13C15 ABC2D13E15 129.79 4.15 -9.15 -0.75 0
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216466 85086279 1 NO4C14H25 AB4C14D25 -221.03 1.31 -10.47 0.11 0
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216467 85086280 1 NO3C15H29 AB3C15D29 -195.37 3.41 -9.45 0.4 0
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216468 85086283 1 NSiO2C14H29 ABC2D14E29 -125.21 3.64 -8.69 1.25 0
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216469 85086284 1 ClNOH14C16 ABCD14E16 27.41 2.84 -9.26 -0.58 0
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216470 85086285 1 O7C12H16 A7B12C16 -312.63 2.31 -10.12 0.33 0
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216471 85086286 1 O3N4H12C13 A3B4C12D13 -6.03 7.24 -10.33 -1.86 0
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216472 85086287 1 O6C13H20 A6B13C20 -283.49 3.89 -10.24 0.92 0