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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402237 135055106 1 BNO3C28H38 ABC3D28E38 -174.82 4.66 -8.43 0.37 0
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402238 135055120 1 NO2C11H23 AB2C11D23 -132.27 3.5 -9.41 1.2 0
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402239 135055124 1 N2O2F3C14H17 A2B2C3D14E17 -214.59 6.87 -9.02 -0.12 -4
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402240 135055130 2 PC3H5O6 AB3C5D6 -430.21 0.41 -10.67 -2.12 0
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402241 135055145 1 SN2O4C24H28 AB2C4D24E28 -132.5 3.92 -9.54 -0.67 0
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402242 135055152 1 NO2C19H21 AB2C19D21 -63.31 2.99 -8.57 0.15 0
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402243 135055164 1 N3O6C23H25 A3B6C23D25 -114.47 8.32 -9.2 -0.98 0
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402244 135055189 2 O3C10H11 A3B10C11 -208.1 1.46 -9.4 -0.52 0
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402245 135055195 1 SO5C20H22 AB5C20D22 -174.29 5.54 -9.38 -1.02 0
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402246 135055199 1 N2C17H22 A2B17C22 17.48 3.25 -7.93 0.38 0
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402247 135055202 1 NH21C24 AB21C24 120.59 1.76 -8.97 -0.19 -1
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402248 135055206 1 CoNSB2O7C36H49 ABCD2E7F36G49 -396.36 19.24 0.0 0.0 0
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402249 135055212 1 NOC24H27 ABC24D27 -7.27 2.41 -8.35 -0.4 0
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402250 135055213 1 BrNOC14H14 ABCD14E14 -12.15 5.03 -9.37 -0.64 0
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402251 135055217 1 NO5C17H23 AB5C17D23 -220.45 3.78 -9.99 -0.62 0
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402252 135055222 1 N3O6C23H27 A3B6C23D27 -185.82 3.59 -9.76 -0.81 0
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402253 135055223 1 O5C21H32 A5B21C32 -222.67 2.13 -9.25 0.37 0
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402254 135055224 1 NSO2C31H41 ABC2D31E41 -15.76 5.68 -8.44 -0.58 0
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402255 135055226 1 O4H10C11 A4B10C11 -141.84 6.84 -10.65 -1.33 0
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402256 135055228 1 NOH23C25 ABC23D25 40.41 2.85 -8.72 -0.05 0
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402257 135055229 1 N2Cl3O3C20H27 A2B3C3D20E27 -148.12 3.01 -9.45 -0.76 0
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402258 135055232 1 NOF3C16H20 ABC3D16E20 -178.25 4.98 -9.64 -0.07 0
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402260 135055243 4 C6H7 A6B7 55.68 0.94 -9.1 0.28 0
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402261 135055251 1 OSiCl4C16H16 ABC4D16E16 -172.93 4.21 -9.35 -0.59 0
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402262 135055256 1 S2O3C10H18 A2B3C10D18 -120.06 1.56 -8.49 -0.05 0
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402263 135055257 1 N3O4C35H39 A3B4C35D39 -58.96 3.3 -9.14 -0.65 0
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402264 135055258 1 NO3C19H23 AB3C19D23 -99.17 3.01 -8.1 0.12 0
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402265 135055265 1 PSN2O5H25C29 ABC2D5E25F29 -131.63 8.97 -9.01 -0.96 0
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402266 135055272 1 SN2O2C15H20 AB2C2D15E20 -51.47 8.05 -10.23 -0.68 0
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402267 135055273 1 SO5C6H12 AB5C6D12 -223.69 3.68 -9.69 -0.42 0
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402268 135055274 1 N2O6C21H40 A2B6C21D40 -303.91 3.81 -9.92 0.64 -2
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402269 135055277 1 PC11O12H19 AB11C12D19 -558.97 4.36 -10.48 -1.64 0
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402270 135055278 1 PC11O12H21 AB11C12D21 -600.35 3.59 -10.67 -0.97 0
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402271 135055279 1 SO4C6H10 AB4C6D10 -148.71 2.52 -9.44 -0.37 0
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402272 135055283 1 N2O8H20C21 A2B8C20D21 -167.52 8.93 -8.9 -1.23 0
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402273 135055285 1 Si2O4C27H56 A2B4C27D56 -363.37 2.46 -8.72 1.2 0
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402274 135055287 1 O3C15H26 A3B15C26 -151.95 3.26 -9.34 0.15 0
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402275 135055297 1 ClSN2O3C14H19 ABC2D3E14F19 -78.01 4.35 -9.5 -0.99 0
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402276 135055301 1 BrO2C13H13 AB2C13D13 -52.12 4.58 -9.8 -0.7 0
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402277 135055304 1 FN2O4C16H17 AB2C4D16E17 -89.77 4.73 -8.73 -0.36 -1
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402278 135055337 1 CoNSSiO2C30H35 ABCDE2F30G35 6.55 22.76 0.0 0.0 0
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402279 135055338 1 NSSiO2C24H27 ABCD2E24F27 -44.49 6.54 -8.29 -0.52 0
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402280 135055341 1 BrNOC14H14 ABCD14E14 -7.82 6.38 -8.88 -0.61 0
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402281 135055342 1 ON2C22H24 AB2C22D24 24.5 6.69 -7.95 -0.21 0
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402283 135055345 2 O3C7H8 A3B7C8 -222.64 2.89 -9.83 -1.03 -1
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402284 135055347 1 CoSiB2O4C39H54 ABC2D4E39F54 -253.16 28.59 0.0 0.0 0
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402285 135055355 1 NO5C25H39 AB5C25D39 -249.9 5.53 -9.44 -0.66 0
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402286 135055356 1 N2O6C23H26 A2B6C23D26 -207.91 5.04 -9.17 -0.59 0
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402287 135055359 1 N3O6C23H29 A3B6C23D29 -212.13 2.43 -9.53 -0.43 0
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402288 135055360 1 N3O6H31C33 A3B6C31D33 -117.7 6.68 -9.56 -0.76 -1
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402289 135055361 1 CrO10H25C26 AB10C25D26 -184.42 2.38 0.0 0.0 0
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402290 135055362 1 O5C20H22 A5B20C22 -158.62 1.35 -9.27 -1.18 0
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402291 135055363 1 NSSiO3C25H39 ABCD3E25F39 -166.84 7.46 -8.49 -0.52 0
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402292 135055364 1 NO3C16H23 AB3C16D23 -131.83 4.23 -9.22 0.39 0
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402293 135055365 2 O2C8H11 A2B8C11 -153.55 1.55 -9.4 0.3 0
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402294 135055366 2 O2C8H11 A2B8C11 -156.25 1.21 -9.32 0.37 0
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402295 135055368 1 O5C14H18 A5B14C18 -196.92 6.56 -9.51 -0.78 0
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402297 135055373 1 NOF3C19H26 ABC3D19E26 -189.44 5.25 -9.54 0.1 0
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402298 135055375 1 NSiF3O3C19H28 ABC3D3E19F28 -308.73 5.47 -8.9 -0.34 0
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402299 135055376 2 OC8H9 AB8C9 -51.96 1.64 -9.04 0.4 0
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402301 135055378 2 O2C8H11 A2B8C11 -171.92 5.81 -9.11 -0.35 0
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402302 135055379 1 FOH13C15 ABC13D15 -40.13 3.13 -9.37 -0.6 0
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402303 135055380 1 O2C25H40 A2B25C40 -127.54 1.54 -8.84 0.4 0
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402304 135055381 1 O3C20H28 A3B20C28 -115.22 5.24 -9.74 -0.73 0
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402305 135055392 1 SiO2C24H36 AB2C24D36 -137.78 1.98 -8.98 0.1 0
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402306 135055404 1 FNO4C13H18 ABC4D13E18 -233.2 2.49 -9.88 -0.36 0
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402307 135055409 1 NO2S2C10H17 AB2C2D10E17 -86.41 7.59 -8.56 -0.92 0
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402308 135055410 1 NOC17H21 ABC17D21 -3.58 1.86 -7.87 0.28 0
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402309 135055413 1 O2H20C25 A2B20C25 -10.48 2.92 -8.84 -0.7 0
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402310 135055418 1 PO8C9H17 AB8C9D17 -425.19 5.24 -10.13 -0.59 0
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402311 135055424 1 PC7O9H15 AB7C9D15 -479.71 3.66 -10.48 -1.04 0
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402312 135055434 1 O3C8H12 A3B8C12 -69.21 2.19 -9.63 1.43 0
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402313 135055437 1 NSO6C19H19 ABC6D19E19 -212.32 7.6 -9.83 -0.73 0
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402314 135055466 1 BrN2O4H17C20 AB2C4D17E20 -97.76 5.97 -9.76 -1.69 0
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402315 135055467 1 N2F3O4H17C21 A2B3C4D17E21 -262.2 7.32 -10.37 -1.78 0
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402316 135055471 1 NSSiO3C25H43 ABCD3E25F43 -207.49 4.82 -8.75 -0.3 0
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402317 135055479 1 N3O6C17H21 A3B6C17D21 -146.35 4.21 -10.17 -1.92 0
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402318 135055493 1 ON2C17H20 AB2C17D20 -27.98 4.55 -8.46 -0.1 0
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402319 135055498 1 BrN2O2H29C36 AB2C2D29E36 72.36 1.68 -8.49 -0.66 0
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402320 135055505 1 ClNO5H26C28 ABC5D26E28 -147.18 2.94 -8.83 -0.54 0
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402321 135055506 1 NO3H23C24 AB3C23D24 -51.78 3.03 -8.42 0.1 0
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402322 135055511 1 ON2F3H21C22 AB2C3D21E22 -130.62 5.71 -8.2 -0.93 0
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402323 135055512 1 ClC17H19 AB17C19 18.3 3.43 -8.51 -0.04 0
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402324 135055520 1 NSO4C20H25 ABC4D20E25 -132.27 6.83 -9.26 -0.38 0
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402325 135055526 2 SO6H20C21 AB6C20D21 -360.22 4.7 -9.64 -1.09 0
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402326 135055531 1 CrN2O7C31H32 AB2C7D31E32 -174.62 2.6 -8.19 -0.33 0
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402327 135055532 1 CrN2O2C26H32 AB2C2D26E32 69.23 5.09 -7.39 -0.03 -3
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402329 135055535 1 S2O3C16H18 A2B3C16D18 -98.97 3.56 -8.93 -0.73 0
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402330 135055536 1 NO3C12H21 AB3C12D21 -152.16 4.18 -9.71 0.41 0
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402331 135055537 1 NC11H17 AB11C17 15.66 1.87 -8.46 0.57 0
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402332 135055538 2 OC7H10 AB7C10 -91.04 5.34 -8.89 -0.03 0
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402334 135055542 1 NO2H23C25 AB2C23D25 4.6 0.88 -8.68 -0.05 0
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402335 135055550 1 BrNOH18C22 ABCD18E22 43.01 3.4 -8.54 -0.21 0
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402336 135055553 1 NSO2C23H27 ABC2D23E27 -49.06 5.98 -8.64 -0.38 0
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402337 135055556 1 FNS2O3C20H26 ABC2D3E20F26 -137.4 4.97 -8.2 -0.56 0
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402339 135055564 1 NO2C12H15 AB2C12D15 -42.53 2.13 -8.94 -0.16 0
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402340 135055574 1 NOC20H21 ABC20D21 14.77 2.13 -7.84 -0.5 0
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402341 135055578 1 O4C11H14 A4B11C14 -151.98 4.4 -9.74 -0.04 0
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402342 135055581 1 NOC18H33 ABC18D33 -64.65 2.13 -8.41 0.87 0
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402343 135055586 1 P2N9O17C27H35 A2B9C17D27E35 -692.92 13.97 -8.93 -1.66 0