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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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351435 127280323 1 N3O3C18H23 A3B3C18D23 -97.88 4.32 -8.85 -1.26 0
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351436 127280324 1 SN3O3C20H31 AB3C3D20E31 -117.83 7.94 -9.05 -0.7 0
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351437 127280325 1 O3N4C20H34 A3B4C20D34 -164.31 1.45 -8.87 0.26 0
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351438 127280326 1 N3O4C20H27 A3B4C20D27 -141.77 5.06 -8.26 0.1 0
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351439 127280327 1 O3N6C16H24 A3B6C16D24 -92.4 5.49 -8.83 -0.59 0
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351440 127280328 1 OSN6C13H18 ABC6D13E18 67.14 6.78 -9.08 -1.56 0
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351441 127280329 1 SN3O3C20H31 AB3C3D20E31 -117.43 6.62 -9.0 -0.83 0
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351442 127280330 2 ON2C10H15 AB2C10D15 -74.21 8.65 -8.6 0.34 0
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351443 127280331 1 O3N4C16H26 A3B4C16D26 -139.71 2.16 -8.82 0.11 0
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351444 127280332 1 N3O3C17H27 A3B3C17D27 -144.16 4.18 -8.83 0.03 0
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351445 127280333 1 O3N7C17H27 A3B7C17D27 -65.28 8.0 -9.08 -0.46 0
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351446 127280334 1 O3N4C21H26 A3B4C21D26 -83.32 7.04 -8.98 -0.7 0
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351447 127280335 1 O2N5C19H25 A2B5C19D25 -31.99 4.53 -8.76 -0.48 0
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351448 127280336 1 O3N5C21H29 A3B5C21D29 -60.41 7.66 -9.48 -1.08 0
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351449 127280337 1 O3N4C21H38 A3B4C21D38 -151.57 1.81 -8.73 0.63 0
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351450 127280338 1 N3O3C23H33 A3B3C23D33 -115.64 4.69 -9.13 0.36 0
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351451 127280339 1 O2N6C21H28 A2B6C21D28 -16.05 3.35 -9.12 -0.63 0
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351452 127280340 2 ON2C10H12 AB2C10D12 -34.01 6.58 -9.12 -1.09 0
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351453 127280341 1 O3N4C21H36 A3B4C21D36 -160.01 2.43 -8.78 0.44 0
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351454 127280342 1 N3O3C21H29 A3B3C21D29 -88.78 7.34 -9.0 -0.11 0
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351455 127280343 1 SO2N4C16H24 AB2C4D16E24 -62.33 5.53 -9.18 -0.52 0
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351456 127280344 1 SO3N4C17H28 AB3C4D17E28 -132.95 4.8 -9.24 -0.22 0
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351457 127280345 1 SO2N6C18H22 AB2C6D18E22 5.44 6.77 -9.07 -1.72 0
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351458 127280346 1 SO3N4C18H30 AB3C4D18E30 -141.61 2.48 -9.02 -0.07 0
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351459 127280347 1 N3O3C16H27 A3B3C16D27 -140.88 6.85 -9.06 0.7 0
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351460 127280348 1 O3N4C20H34 A3B4C20D34 -165.11 4.1 -9.2 0.66 0
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351461 127280349 1 O2N5C22H33 A2B5C22D33 -72.96 7.41 -8.71 -0.26 0
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351462 127280350 1 O2N5C20H29 A2B5C20D29 -59.46 9.3 -8.61 -0.12 0
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351463 127280351 1 SN3O3C18H31 AB3C3D18E31 -149.31 3.09 -8.44 0.42 0
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351464 127280352 1 O2S2N5C14H21 A2B2C5D14E21 -27.07 5.1 -9.12 -1.3 0
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351465 127280353 1 N3O4C19H25 A3B4C19D25 -135.14 6.34 -8.9 -0.28 0
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351466 127280354 1 SO2N4C18H26 AB2C4D18E26 -60.43 6.64 -9.04 -0.42 0
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351467 127280355 1 O3N5C19H25 A3B5C19D25 -44.84 5.98 -9.37 -1.17 0
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351468 127280356 2 ON2C10H12 AB2C10D12 -34.84 5.95 -9.21 -1.15 0
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351469 127280357 1 O3N4C19H32 A3B4C19D32 -148.74 8.66 -9.21 0.48 0
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351470 127280358 1 O3N4C19H32 A3B4C19D32 -148.62 8.44 -9.17 0.53 0
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351471 127280359 1 SO2N7C15H25 AB2C7D15E25 -12.97 7.17 -9.35 -0.63 0
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351472 127280360 1 O3N4C20H34 A3B4C20D34 -161.48 3.58 -9.26 0.67 0
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351473 127280361 1 O3N6C19H30 A3B6C19D30 -90.4 5.53 -9.32 0.24 0
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351474 127280362 1 O3N5C21H29 A3B5C21D29 -89.25 9.52 -8.92 -0.39 0
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351475 127280363 1 O2N7C18H23 A2B7C18D23 9.01 6.81 -9.44 -1.32 0
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351476 127280364 1 FO2N5C19H22 AB2C5D19E22 -64.46 6.64 -9.26 -1.58 0
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351477 127280365 1 O3N4C20H34 A3B4C20D34 -155.77 4.65 -8.71 0.62 0
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351478 127280366 1 O2N6C19H26 A2B6C19D26 -28.24 4.93 -9.17 -0.85 0
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351479 127280367 1 O3N4C20H34 A3B4C20D34 -162.24 3.02 -9.12 0.49 0
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351480 127280368 1 O2N5C21H33 A2B5C21D33 -68.39 2.39 -9.05 0.43 0
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351481 127280369 1 O3N4C21H36 A3B4C21D36 -167.25 4.12 -9.29 0.58 0
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351482 127280370 1 SO2N5C19H31 AB2C5D19E31 -75.56 3.01 -8.28 0.25 0
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351483 127280371 1 O2N5C19H25 A2B5C19D25 -35.89 4.07 -8.94 -0.8 0
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351484 127280372 1 SO2N6C18H22 AB2C6D18E22 2.98 6.28 -9.21 -1.59 0