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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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382202 134973193 1 BrO2N6C19H21 AB2C6D19E21 4.62 10.2 -8.7 -0.56 0
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382203 134973195 1 NO2C21H21 AB2C21D21 -26.07 1.48 -8.21 -0.93 0
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382204 134973197 2 NO2H17C19 AB2C17D19 -80.03 0.38 -8.31 -1.28 1
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382208 134973205 1 Si2O4C27H54 A2B4C27D54 -341.11 0.96 -8.84 0.18 0
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382209 134973206 1 O5C20H34 A5B20C34 -259.08 5.14 -9.91 0.4 0
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382210 134973207 1 OC15H20 AB15C20 -17.6 1.91 -9.27 0.25 0
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382211 134973208 1 O2C25H32 A2B25C32 -49.83 3.82 -9.54 0.64 0
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382212 134973210 1 NO8C12H21 AB8C12D21 -382.27 8.57 -9.71 -0.44 0
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382213 134973211 1 NO9C24H37 AB9C24D37 -402.8 5.11 -8.76 -0.66 0
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382214 134973213 1 BrO4H13C17 AB4C13D17 -95.01 3.92 -9.2 -1.1 0
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382215 134973214 1 BrO3H11C16 AB3C11D16 -48.96 5.53 -9.03 -1.3 0
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382216 134973215 1 NOC19H19 ABC19D19 13.95 4.32 -8.58 -1.03 0
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382217 134973216 1 NO3C21H40 AB3C21D40 -182.92 6.76 0.0 0.0 0
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382218 134973219 1 O3N4C25H34 A3B4C25D34 -107.46 5.96 -8.47 0.03 0
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382219 134973221 1 OC18H30 AB18C30 9.02 2.1 -8.7 0.13 0
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382220 134973224 2 O4C9H13 A4B9C13 -362.43 4.49 -9.98 0.29 0
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382221 134973225 1 O7C16H24 A7B16C24 -325.54 2.81 -10.21 0.52 0
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382222 134973227 1 NOH15C19 ABC15D19 34.93 3.45 -8.45 -1.17 0
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382223 134973228 1 O2C11H18 A2B11C18 -59.02 3.61 -9.36 0.83 0
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382224 134973231 1 SiO3C18H28 AB3C18D28 -155.76 2.87 -8.79 0.2 0
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382225 134973232 1 SiO3C18H28 AB3C18D28 -155.31 3.92 -8.62 0.15 0
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382226 134973234 1 BrN2O2C14H15 AB2C2D14E15 -3.51 4.35 -8.89 -0.69 1
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382228 134973236 2 NO2C25H26 AB2C25D26 72.99 16.37 -7.24 -1.94 0
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382229 134973237 1 NOSC5H9 ABCD5E9 -25.62 2.56 -9.38 -0.69 0
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382230 134973238 1 PN3O3H12C13 AB3C3D12E13 -76.48 4.05 -9.4 -0.64 0
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382231 134973239 1 SO3C21H24 AB3C21D24 -85.23 1.72 -8.6 -0.3 0
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382233 134973244 1 N2O10C15H26 A2B10C15D26 -401.44 2.91 -10.28 -0.65 0
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382234 134973245 1 N2O10C11H18 A2B10C11D18 -376.91 4.66 -10.7 -1.42 0
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382235 134973246 1 N2O9C11H18 A2B9C11D18 -366.73 8.59 -10.21 -0.45 0
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382236 134973248 1 O2N3C11H13 A2B3C11D13 15.86 4.65 -9.6 -0.81 0
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382237 134973250 1 O7C22H28 A7B22C28 -293.1 2.19 -9.8 -0.76 0
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382238 134973255 1 N2Si2O5C25H44 A2B2C5D25E44 -310.35 6.68 -8.9 -0.61 0
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382239 134973256 1 S2C15H22 A2B15C22 7.57 3.81 -8.37 -0.92 0
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382240 134973258 1 SC8H16 AB8C16 -26.41 2.82 -8.73 0.52 0
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382241 134973259 2 SO2N3C16H17 AB2C3D16E17 -70.96 2.47 -8.57 -0.91 0
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382242 134973260 1 O5C11H14 A5B11C14 -195.63 1.9 -9.64 -0.28 0
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382243 134973261 1 N2S4C25H26 A2B4C25D26 105.98 2.53 -8.7 -0.8 0
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382244 134973263 1 O3H18C20 A3B18C20 -14.85 2.05 -8.55 -0.5 0
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382245 134973264 1 BrNSO3C17H24 ABCD3E17F24 -63.06 2.89 -9.7 -0.17 0
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382246 134973268 1 SiO3C21H28 AB3C21D28 -137.71 2.51 -8.98 -0.09 0
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382247 134973274 1 N3O4C33H51 A3B4C33D51 -195.39 6.25 -8.7 0.45 0
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382248 134973275 1 N3O6C36H53 A3B6C36D53 -290.88 1.94 -8.83 0.28 0
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382249 134973276 1 N3O6C36H53 A3B6C36D53 -292.97 1.66 -9.01 0.32 -1
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382250 134973277 1 NSiO3C13H24 ABC3D13E24 -167.29 2.17 0.0 0.0 0
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382251 134973285 1 SiO8C39H64 AB8C39D64 -384.54 1.07 -8.79 -0.19 0
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382252 134973287 1 BrClCuLiNOSiC19H25 ABCDEFGH19I25 -11.31 7.66 -7.69 0.43 0
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382253 134973288 1 NH13C18 AB13C18 76.45 3.59 -8.79 -1.0 0
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382254 134973298 1 N2Si6O9C29H66 A2B6C9D29E66 -698.09 3.79 -9.35 0.2 0
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382255 134973301 1 O3H20C23 A3B20C23 51.93 2.57 -8.89 -0.31 0
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382256 134973302 1 N2C29H60 A2B29C60 -119.58 1.43 -8.46 2.65 0
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382257 134973306 1 O2S2N3C24H29 A2B2C3D24E29 -42.21 6.62 -8.22 -1.14 0
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382258 134973308 1 BrO4H13C17 AB4C13D17 -90.17 4.01 -9.06 -1.34 0
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382259 134973310 1 ON2C14H20 AB2C14D20 -12.33 2.51 -8.31 0.28 0
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382260 134973312 1 NSO2F3H14C21 ABC2D3E14F21 -129.04 3.95 -8.96 -1.22 0
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382261 134973313 1 ClNOC19H20 ABCD19E20 -6.16 4.9 -8.69 -0.22 0
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382262 134973316 1 NSiO2C15H29 ABC2D15E29 -103.96 3.28 -9.09 0.61 0
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382263 134973317 1 N2O6C19H22 A2B6C19D22 -227.66 5.98 -9.49 -0.46 0
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382264 134973318 2 NO5C11H11 AB5C11D11 -345.48 6.91 -9.94 -1.32 0
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382265 134973319 1 SN2O9C22H22 AB2C9D22E22 -313.25 6.48 -9.42 -1.55 0
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382266 134973320 1 NSiC20H23 ABC20D23 69.8 2.76 -9.06 -0.41 0
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382267 134973321 1 NSiC20H23 ABC20D23 69.89 1.85 -9.01 -0.18 0
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382268 134973322 1 NSiC19H21 ABC19D21 76.32 2.9 -9.05 -0.4 0
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382269 134973323 1 Br4O4C23H32 A4B4C23D32 -177.39 2.76 -10.04 -1.13 0
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382270 134973324 1 SeO2C11H12 AB2C11D12 -60.11 3.57 -8.84 -0.29 0
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382271 134973325 1 SeO4C20H26 AB4C20D26 -132.78 3.37 -8.2 -0.08 0
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382272 134973326 1 NO3H33C35 AB3C33D35 -43.98 3.48 -8.32 -1.0 0
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382273 134973327 1 NO3H33C35 AB3C33D35 -44.73 4.65 -8.36 -1.12 -1
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382274 134973328 1 NSSiO6C19H32 ABCD6E19F32 -247.45 6.19 0.0 0.0 0
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382276 134973332 1 O2C15H20 A2B15C20 -77.02 3.67 -9.37 0.32 0
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382277 134973333 1 NSiO7C35H45 ABC7D35E45 -306.69 2.86 -8.99 0.09 0
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382278 134973334 1 NO10C29H43 AB10C29D43 -432.58 4.16 -9.69 0.06 0
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382279 134973335 1 NO10C11H19 AB10C11D19 -452.5 4.9 -10.51 -0.46 0
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382280 134973336 1 KNO10C16H24 ABC10D16E24 -512.7 8.62 -9.01 -0.14 0
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382281 134973337 1 NO10C16H25 AB10C16D25 -456.15 6.68 -10.05 -1.64 0
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382282 134973338 1 NSO9C14H21 ABC9D14E21 -377.81 7.84 -9.28 -0.64 0
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382283 134973339 1 NS2O12C21H31 AB2C12D21E31 -522.88 4.75 -8.85 -0.85 0
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382284 134973340 2 NO5C12H16 AB5C12D16 -343.87 7.79 -9.77 -0.62 0
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382285 134973343 1 NO12C20H27 AB12C20D27 -527.34 4.93 -9.93 -0.27 0
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382286 134973344 1 NO13C21H31 AB13C21D31 -598.1 6.24 -9.98 -0.21 0
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382287 134973347 1 O3C6H10 A3B6C10 -126.45 0.79 -9.95 -0.06 0
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382288 134973349 1 O2S5C18H28 A2B5C18D28 -83.42 3.8 -8.53 -1.18 0
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382289 134973350 1 S7C18H28 A7B18C28 59.03 7.0 -8.2 -1.91 0
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382290 134973351 1 O3N4C27H30 A3B4C27D30 60.16 1.69 -8.95 0.2 0
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382291 134973353 1 SiO4C30H40 AB4C30D40 -180.05 1.42 -9.2 -0.13 0
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382292 134973354 1 SiO4C33H44 AB4C33D44 -189.61 4.19 -8.9 0.1 0
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382293 134973355 1 SiO4C26H38 AB4C26D38 -220.45 3.13 -9.16 -0.02 0
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382294 134973359 1 OSC12H18 ABC12D18 -65.66 1.66 -8.77 0.41 0
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382295 134973361 1 BrNOSH6C10 ABCDE6F10 28.86 2.59 -9.52 -1.75 0
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382296 134973362 1 SN2H20C26 AB2C20D26 120.52 3.21 -8.19 -0.85 0
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382298 134973364 9 OC3H4 AB3C4 -355.92 6.36 -8.86 -0.77 0
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382299 134973365 1 SiO9C30H42 AB9C30D42 -367.84 7.53 -8.29 -0.55 0
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382300 134973368 2 FNH5C6 ABC5D6 -37.61 0.22 -10.48 -0.7 0
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382301 134973369 1 PN3C21H38 AB3C21D38 -55.83 4.58 -7.91 0.4 0
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382302 134973371 1 N2O5C16H24 A2B5C16D24 -241.83 2.53 -9.79 -0.13 0
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382304 134973374 1 O2C19H22 A2B19C22 -23.29 3.73 -9.44 -1.24 0
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382305 134973375 1 O3C20H22 A3B20C22 -89.86 5.99 -9.03 -0.18 0
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382306 134973376 1 H4S4F6C7 A4B4C6D7 -266.23 7.85 -9.52 -1.62 0
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382307 134973377 1 O2S2H5F9C10 A2B2C5D9E10 -518.65 2.99 -10.31 -2.15 0
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382308 134973378 2 SO2F3H5C6 AB2C3D5E6 -452.02 5.65 -10.09 -2.01 0
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382309 134973379 1 S3C8F12 A3B8C12 -590.52 2.61 -10.14 -2.99 0