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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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151437 53801280 1 NO3F6C15H17 AB3C6D15E17 -430.23 4.98 -9.54 -0.62 0
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151438 53801281 1 N3O3C21H29 A3B3C21D29 -74.89 6.74 -9.0 -0.72 0
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151439 53801282 1 ON2C9H12 AB2C9D12 22.03 2.26 -9.12 -0.45 0
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151440 53801284 1 O2N7C30H37 A2B7C30D37 24.65 3.14 -8.54 -1.1 0
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151441 53801285 1 N2O5C12H12 A2B5C12D12 -171.16 4.8 -9.91 -0.78 0
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151442 53801290 2 ClC3O3H4 AB3C3D4 -266.24 4.21 -11.26 -0.79 0
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151443 53801295 1 ON3C12H21 AB3C12D21 -53.49 2.1 -9.03 0.58 0
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151444 53801300 1 NSO3C18H19 ABC3D18E19 -56.79 1.64 -7.82 -0.87 0
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151445 53801302 1 FCl2N2O4H15C17 AB2C2D4E15F17 -108.53 4.84 -10.0 -1.54 0
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151446 53801303 3 ON2C9H18 AB2C9D18 -189.93 2.47 -9.17 0.33 0
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151447 53801304 2 OC6H7 AB6C7 -17.02 1.73 -9.54 -0.51 0
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151448 53812297 1 NO2C9H11 AB2C9D11 -75.63 7.41 -9.33 -0.68 0
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151449 53812300 1 N2F3O5C24H27 A2B3C5D24E27 -322.81 2.41 -8.48 -0.51 0
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151450 53812306 2 O2C9H11 A2B9C11 -138.48 4.33 -9.73 -0.65 0
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151451 53812307 1 N2O3C13H14 A2B3C13D14 -83.07 2.08 -9.5 -0.96 0
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151452 53812309 1 O5C14H22 A5B14C22 -216.91 2.26 -9.93 0.04 0
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151453 53812310 1 SiN3O5C10H13 AB3C5D10E13 -189.7 6.41 -9.01 -0.85 0
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151454 53812312 1 N2O5H10C14 A2B5C10D14 -143.6 5.67 -9.05 -1.48 0
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151455 53812325 1 BrOC10H11 ABC10D11 -27.03 4.26 -10.03 -1.03 0
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151456 53812337 2 NO3C17H24 AB3C17D24 -246.37 4.38 -8.4 -0.03 0
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151457 53812353 2 NC9H9 AB9C9 92.03 2.86 -8.26 -0.45 0
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151458 53812379 1 N3O3C29H39 A3B3C29D39 -68.79 4.6 -7.76 0.11 0
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151459 53812380 1 ClO2C16H29 AB2C16D29 -136.19 3.05 -10.28 -0.65 0
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151460 53812381 1 NSO6C22H35 ABC6D22E35 -278.08 4.21 -9.5 -0.99 0
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151461 53812387 1 NO4C10H11 AB4C10D11 -147.93 5.73 -10.26 -0.6 0
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151462 53812396 1 ON3C25H31 AB3C25D31 -0.38 5.43 -8.49 -1.09 0
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151463 53812408 1 N3C18H25 A3B18C25 27.73 3.41 -7.85 0.4 0
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151464 53812414 1 SN2O3C24H30 AB2C3D24E30 -97.59 8.2 -8.54 0.3 0
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151465 53812415 1 O2Cl3N4H23C26 A2B3C4D23E26 10.91 4.58 -8.34 -1.19 0
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151466 53812424 1 NSO4H10C14F17 ABC4D10E14F17 -1000.13 2.79 -10.48 -1.02 0
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151467 53812425 1 SO2N4C13H24 AB2C4D13E24 -62.38 4.63 -7.92 0.29 0
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151468 53812445 1 SN2O4C15H28 AB2C4D15E28 -217.23 1.94 -8.78 -0.13 0
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151469 53812446 2 OC11H19 AB11C19 -125.9 4.98 -9.18 0.7 0
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151470 53812455 1 ON2C11H18 AB2C11D18 -6.63 1.79 -8.76 0.92 0
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151471 53812457 1 NSO2C17H17 ABC2D17E17 -16.29 2.36 -8.79 -0.57 0
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151472 53812463 2 NC4H8 AB4C8 8.22 0.88 -8.1 1.39 0
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151473 53812467 1 OC12H14 AB12C14 -18.17 3.18 -9.09 0.05 0
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151474 53812472 1 O4N5C13H17 A4B5C13D17 -116.23 9.57 -9.51 -0.88 0
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151475 53812473 1 ON5C19H23 AB5C19D23 77.14 1.97 -8.57 -0.6 0
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151476 53812480 1 ClS2N3O3H10C14 AB2C3D3E10F14 -50.31 6.84 -9.33 -2.01 0
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151477 53812486 1 NSO4C10H13 ABC4D10E13 -152.92 4.35 -9.83 -0.17 0
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151478 53812488 1 SO5H20C21 AB5C20D21 -138.2 7.07 -9.32 -1.55 0
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151479 53812489 1 O4C23H32 A4B23C32 -203.9 3.19 -9.32 0.34 1
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151480 53812493 1 N2O5C30H49 A2B5C30D49 -226.97 3.84 0.0 0.0 0
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151481 53812499 1 O2C19H20 A2B19C20 -37.3 1.05 -8.57 -0.57 0
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151482 53812503 1 FO2N7H10C12 AB2C7D10E12 37.79 5.16 -9.47 -1.15 0
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151483 53812508 1 O4H18C23 A4B18C23 -70.12 1.17 -8.75 -0.59 0
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151484 53812509 1 N2O2C11H16 A2B2C11D16 -65.26 5.78 -8.65 -0.15 0
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151485 53812510 1 BrNOC13H20 ABCD13E20 -39.52 3.8 -9.31 -0.21 0
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151486 53812511 1 SN4F5O8C30H39 AB4C5D8E30F39 -572.48 12.15 -9.43 -1.01 0