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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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432271 135172403 1 NO2C15H23 AB2C15D23 -76.31 2.47 -8.48 0.37 0
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432272 135172404 2 NOC9H15 ABC9D15 -82.9 2.09 -8.51 0.33 0
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432273 135172405 1 N3C15H23 A3B15C23 39.07 3.26 -8.0 0.45 0
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432274 135172406 1 O3C18H20 A3B18C20 -77.99 1.82 -8.79 -0.07 0
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432275 135172407 2 NC6H12 AB6C12 -9.94 2.47 -8.46 0.93 0
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432276 135172408 1 O2N3C14H31 A2B3C14D31 -97.92 1.39 -8.33 1.45 0
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432277 135172409 1 ON4C13H22 AB4C13D22 -4.02 3.18 -8.1 -0.04 0
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432278 135172411 1 N3C5H11 A3B5C11 45.75 3.41 -8.78 0.81 0
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432279 135172412 2 BrN2O2C15H16 AB2C2D15E16 -65.91 3.8 -8.39 -0.46 0
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432280 135172413 1 O3N8C28H32 A3B8C28D32 16.73 7.09 -9.19 -0.89 0
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432281 135172414 1 ON9C20H29 AB9C20D29 77.0 2.21 -8.44 -0.16 0
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432282 135172415 1 N3C13H31 A3B13C31 -27.86 5.03 -8.85 3.02 0
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432283 135172416 1 S2N8O9C53H58 A2B8C9D53E58 -223.62 7.33 -9.1 -0.88 0
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432284 135172417 1 S2N8O9C53H58 A2B8C9D53E58 -227.68 7.98 -9.04 -0.89 0
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432285 135172418 1 ON7C22H27 AB7C22D27 60.61 3.17 -8.57 -0.79 0
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432286 135172419 1 N3C17H35 A3B17C35 -32.85 3.8 -8.33 2.74 0
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432287 135172420 1 ON2F3C16H31 AB2C3D16E31 -235.97 2.82 -8.16 1.27 0
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432288 135172421 2 ON2C6H10 AB2C6D10 -31.58 0.79 -8.36 -0.32 0
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432289 135172422 1 ON2C13H26 AB2C13D26 -60.54 1.47 -8.15 2.28 0
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432290 135172423 1 NO2C21H37 AB2C21D37 -127.78 3.47 -8.67 0.08 0
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432291 135172424 1 SO9N11C69H87 AB9C11D69E87 -170.78 3.76 -8.63 -0.76 0
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432292 135172425 1 SO8N11C66H81 AB8C11D66E81 -149.99 5.09 -8.48 -1.0 0
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432293 135172426 1 SO8N11C65H79 AB8C11D65E79 -145.34 6.17 -8.59 -1.03 0
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432294 135172427 1 N2C13H30 A2B13C30 -52.36 0.43 -8.68 2.96 0
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432295 135172428 1 IN3O4H12C14 AB3C4D12E14 -58.21 4.28 -8.94 -1.47 0
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432296 135172429 1 N3O4C15H15 A3B4C15D15 -74.92 5.23 -8.79 -1.06 0
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432297 135172430 1 SN3O5H13C14 AB3C5D13E14 -150.72 8.22 -9.74 -1.21 0
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432298 135172431 1 N3O5C17H17 A3B5C17D17 -147.91 3.99 -10.24 -1.25 0
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432299 135172432 1 ION2C18H21 ABC2D18E21 19.6 5.81 -9.38 -1.33 0
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432300 135172433 1 O2N3H21C22 A2B3C21D22 32.32 3.75 -8.81 -0.98 0
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432301 135172434 1 NOC11H25 ABC11D25 -84.7 2.94 -8.69 2.32 0
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432302 135172435 1 O2N3C24H25 A2B3C24D25 57.05 2.55 -8.23 -0.39 0
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432303 135172436 1 O2N3C23H23 A2B3C23D23 14.45 1.3 -8.54 -0.46 1
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432304 135172437 1 PN2O2C17H22 AB2C2D17E22 -11.8 10.88 0.0 0.0 0
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432305 135172438 1 ClNO5C13H20 ABC5D13E20 -252.55 4.96 -10.79 -0.36 0
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432306 135172439 1 ClNO4C11H22 ABC4D11E22 -229.2 5.14 -10.37 0.74 0
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432307 135172440 1 N2O3C15H22 A2B3C15D22 -92.69 2.41 -9.04 -0.43 0
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432308 135172441 1 INO3C10H16 ABC3D10E16 -66.22 4.46 -9.74 -2.63 0
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432309 135172442 2 NC11H24 AB11C24 -77.79 2.53 -8.41 2.85 0
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432310 135172443 1 N3C13H31 A3B13C31 -22.27 1.5 -8.42 2.65 0
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432311 135172444 1 N2C19H42 A2B19C42 -68.56 1.46 -8.49 2.79 0
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432312 135172445 1 NC14H31 AB14C31 -57.87 1.34 -8.52 2.87 0
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432313 135172446 1 NO6C36H39 AB6C36D39 -142.45 5.18 -8.99 -0.48 0
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432314 135172447 1 IO2N4C19H27 AB2C4D19E27 -40.24 8.12 -8.97 -1.22 0
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432315 135172448 1 ON2C15H24 AB2C15D24 -34.95 3.73 -8.07 0.47 0
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432316 135172449 1 SO3N4C23H28 AB3C4D23E28 -39.05 2.26 -9.06 -0.64 0
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432317 135172450 1 SO2N4C19H26 AB2C4D19E26 -46.41 5.42 -8.21 -0.31 0
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432318 135172451 1 NO3C19H23 AB3C19D23 -86.69 5.79 -8.45 -0.17 0
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432319 135172452 1 INF2O3C17H30 ABC2D3E17F30 -242.75 4.18 -9.08 -2.42 0
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432320 135172453 1 N7O8C46H51 A7B8C46D51 -104.05 11.69 -7.86 -1.89 0
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432321 135172454 1 O8N9C49H57 A8B9C49D57 -183.41 9.13 -8.34 -1.59 0
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432322 135172455 1 N9O10C54H63 A9B10C54D63 -266.71 10.17 -8.92 -1.54 0
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432323 135172456 1 N9O9C52H61 A9B9C52D61 -200.48 7.92 -8.64 -1.58 0
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432324 135172457 1 O7N9C48H55 A7B9C48D55 -60.67 7.18 -8.32 -1.47 0
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432325 135172458 1 NI2C5H7 AB2C5D7 54.05 1.08 -8.91 -1.63 0
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432326 135172459 1 NOC9H19 ABC9D19 -64.85 2.77 -8.66 2.15 0
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432327 135172460 1 S2N9O9C57H71 A2B9C9D57E71 -256.07 7.52 -8.14 -0.75 0
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432328 135172461 1 N2C13H18 A2B13C18 32.16 1.2 -8.01 0.47 0
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432329 135172462 2 NC7H11 AB7C11 7.14 2.24 -8.43 0.43 0
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432330 135172463 1 NC15H23 AB15C23 -4.77 1.29 -8.47 0.74 0
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432331 135172464 1 NOC13H19 ABC13D19 -18.89 1.51 -8.49 0.37 0
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432332 135172465 1 SN9O11C65H79 AB9C11D65E79 -275.59 10.85 -8.61 -0.92 0
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432333 135172466 1 SO10N11C70H85 AB10C11D70E85 -239.71 5.7 -8.9 -1.08 0
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432334 135172467 1 SO8N9C62H73 AB8C9D62E73 -171.93 5.03 -8.23 -0.93 0
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432335 135172468 1 SO3N7C27H31 AB3C7D27E31 6.74 11.68 -8.79 -0.43 0
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432336 135172469 1 N2O2C15H18 A2B2C15D18 -28.54 1.11 -8.99 -0.14 0
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432337 135172470 1 N3O3C13H17 A3B3C13D17 -84.67 7.99 -9.78 -0.35 0
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432338 135172471 1 N3O3C15H17 A3B3C15D17 -80.9 4.5 -9.07 -1.02 0
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432339 135172472 1 NC13H21 AB13C21 32.15 1.69 -8.8 0.44 0
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432340 135172473 1 NO3C17H19 AB3C17D19 -70.4 2.58 -9.11 -0.26 0
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432341 135172474 1 IN2O4C14H21 AB2C4D14E21 -120.27 3.88 -8.42 -2.16 0
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432342 135172475 1 NO2C13H19 AB2C13D19 -78.46 5.15 -9.42 0.35 0
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432343 135172476 1 ClNO4C12H22 ABC4D12E22 -226.48 6.69 -10.48 0.62 0
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432344 135172477 1 N7O8C44H47 A7B8C44D47 -162.76 9.79 -8.81 -1.52 0
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432345 135172478 1 N7O10C47H53 A7B10C47D53 -262.57 10.13 -8.77 -1.52 0