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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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134411 51693157 1 O8C17H24 A8B17C24 -355.78 3.12 -9.66 0.12 -1
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134412 51693163 1 O4C30H45 A4B30C45 -169.65 3.55 0.0 0.0 0
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134413 51693350 1 NO6C17H29 AB6C17D29 -297.95 6.85 -10.06 -0.48 -1
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134414 51693563 1 O11H23C24 A11B23C24 -347.16 3.58 0.0 0.0 0
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134415 51693564 1 O11C24H24 A11B24C24 -400.29 5.63 -9.17 -1.0 -1
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134416 51693565 1 O11H23C24 A11B23C24 -388.69 2.53 0.0 0.0 0
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134417 51693774 2 O3C12H19 A3B12C19 -302.99 2.55 -9.62 0.4 0
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134418 51693775 2 O3C12H19 A3B12C19 -303.6 1.55 -9.57 0.47 0
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134419 51694005 1 O9C16H24 A9B16C24 -424.62 2.09 -11.3 -0.7 -3
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134420 51694006 1 O9C16H21 A9B16C21 -349.95 7.32 0.0 0.0 0
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134421 51694479 1 O7C22H26 A7B22C26 -288.39 3.85 -9.13 -0.9 0
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134422 51694480 1 O7C22H26 A7B22C26 -289.71 4.5 -8.99 -0.68 0
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134423 51694481 1 O7C22H26 A7B22C26 -290.1 4.52 -9.09 -0.78 0
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134424 51694635 1 O7C22H30 A7B22C30 -309.02 11.48 -9.34 -0.81 0
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134425 51694960 1 N3O4C20H27 A3B4C20D27 -82.55 3.89 -9.5 -0.09 0
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134426 51694980 1 SN3O4C22H25 AB3C4D22E25 -76.93 2.34 -8.79 -0.87 0
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134427 51695064 1 ON5C14H15 AB5C14D15 58.28 3.49 -8.96 -1.23 1
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134428 51695254 1 O4N5H18C23 A4B5C18D23 26.23 3.24 0.0 0.0 1
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134429 51695255 1 FO4N5H15C22 AB4C5D15E22 -10.21 1.78 0.0 0.0 0
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134430 51695290 1 N2O2C19H22 A2B2C19D22 -29.9 0.34 -8.65 -0.24 0
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134431 51695291 1 FN2O2H17C21 AB2C2D17E21 -22.16 2.03 -8.79 -0.64 0
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134432 51695292 1 N2O2C19H22 A2B2C19D22 -28.82 0.76 -8.66 -0.21 0
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134433 51695293 1 FN2O2C18H19 AB2C2D18E19 -67.39 1.21 -8.76 -0.35 1
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134434 51695463 1 OS2N4C22H27 AB2C4D22E27 55.85 6.68 0.0 0.0 0
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134435 51695755 1 SN3O7C19H25 AB3C7D19E25 -228.34 8.29 -8.9 -0.97 -1
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134436 51696037 1 ON7H16C17 AB7C16D17 126.16 5.52 0.0 0.0 -1
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134437 51696049 1 SO3N4H11C15 AB3C4D11E15 20.25 3.75 0.0 0.0 -1
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134438 51696054 1 FOSN4C20H22 ABCD4E20F22 -10.55 2.26 0.0 0.0 1
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134439 51696329 1 NO3C21H36 AB3C21D36 -123.35 2.01 0.0 0.0 0
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134440 51696330 1 NO3C21H35 AB3C21D35 -148.13 2.47 -8.65 0.34 1
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134441 51696331 1 NO3C20H34 AB3C20D34 -120.06 5.32 0.0 0.0 0
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134442 51696392 1 O10C23H24 A10B23C24 -350.56 5.6 -8.8 -0.52 0
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134443 51696393 1 O10C23H24 A10B23C24 -357.39 7.65 -9.09 -0.68 0
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134444 51696898 1 FON5C24H32 ABC5D24E32 -41.22 5.25 -8.31 -0.3 0
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134445 51697472 1 ClN2O5H15C17 AB2C5D15E17 -93.97 6.22 -8.85 -2.08 0
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134446 51698234 1 FO2N3C17H26 AB2C3D17E26 -142.52 2.98 -9.09 -0.15 0
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134447 51698364 1 N2O2C17H26 A2B2C17D26 -97.42 2.34 -8.98 0.3 0
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134448 51698385 1 SO2C6H10 AB2C6D10 -107.14 3.23 -9.43 -0.33 1
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134449 51698502 1 OSN5C21H30 ABC5D21E30 31.33 17.98 0.0 0.0 -1
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134450 51698856 1 NO6C16H16 AB6C16D16 -161.8 4.85 0.0 0.0 0
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134451 51698857 1 ClO2F3N5C18H21 AB2C3D5E18F21 -197.43 3.97 -9.75 -0.37 -1
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134452 51699050 1 ClN3O3C13H15 AB3C3D13E15 -56.21 6.24 0.0 0.0 0
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134453 51699051 1 ClN3O3C13H16 AB3C3D13E16 -94.49 6.06 -9.22 -0.19 1
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134454 51699243 1 O2S2N4C24H29 A2B2C4D24E29 -15.98 6.63 0.0 0.0 0
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134455 51699244 2 OSN2C12H14 ABC2D12E14 -36.11 3.49 -8.55 -1.46 1
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134456 51699711 1 N3C7H14 A3B7C14 33.04 1.18 0.0 0.0 1
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134457 51699712 1 ON3C12H22 AB3C12D22 -24.77 3.22 0.0 0.0 1
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134458 51699713 1 ON3C12H22 AB3C12D22 -24.56 2.96 0.0 0.0 1
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134459 51699714 1 ON3C11H16 AB3C11D16 20.86 2.4 0.0 0.0 1
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134460 51699715 1 ON3C11H20 AB3C11D20 -22.08 4.0 0.0 0.0 0
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134461 51700627 2 OSN2C9H9 ABC2D9E9 5.54 3.55 -8.82 -1.24 0
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134462 51701386 1 SN3O3H23C24 AB3C3D23E24 -20.97 3.37 -8.71 -0.86 0
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134463 51701466 1 BrO3N4H15C18 AB3C4D15E18 -17.83 8.41 -9.56 -1.87 0
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134464 51701642 1 N4O4C23H24 A4B4C23D24 -61.8 7.56 -8.23 -0.92 0
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134465 51701854 1 ClFN4O4H18C21 ABC4D4E18F21 -97.64 6.16 -8.46 -1.4 0
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134466 51701855 1 ClFN4O4H18C21 ABC4D4E18F21 -97.08 8.15 -8.46 -1.29 0
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134467 51701889 1 N4O5H20C22 A4B5C20D22 -98.2 7.38 -9.2 -1.23 0
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134468 51702029 1 ClFN4O4H14C20 ABC4D4E14F20 -102.28 2.54 -9.06 -1.53 0
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134469 51702207 1 ClO2N4H19C21 AB2C4D19E21 7.63 8.32 -9.04 -1.38 0
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134470 51702212 1 ClFO2N4H16C20 ABC2D4E16F20 -33.08 3.31 -9.18 -1.48 0
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134471 51702391 1 NSO3H17C21 ABC3D17E21 -34.31 7.12 -8.88 -0.96 0
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134472 51702392 1 SN3O3H19C23 AB3C3D19E23 17.26 6.89 -8.51 -1.13 0
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134473 51702494 1 ClNSO2H16C18 ABCD2E16F18 -27.37 6.22 -8.88 -1.34 0
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134474 51702495 1 SN3O4H15C17 AB3C4D15E17 -59.32 5.63 -9.22 -1.08 0
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134475 51702496 1 ClSO3H21C22 ABC3D21E22 -73.76 5.07 -8.74 -1.46 0
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134476 51702537 1 ClNSO4H16C19 ABCD4E16F19 -101.83 8.17 -9.01 -1.65 -1
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134477 51702810 1 BrSN2O4H10C15 ABC2D4E10F15 -59.3 4.09 0.0 0.0 0
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134478 51703537 1 N4O4C25H30 A4B4C25D30 -100.95 1.98 -8.01 -0.35 0
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134479 51703538 1 SN4O4H20C21 AB4C4D20E21 -72.68 6.47 -8.24 -0.73 0
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134480 51703539 1 N4O6C21H28 A4B6C21D28 -222.89 2.41 -8.05 -0.4 2
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134481 51704490 1 ClON2C18H25 ABC2D18E25 -1.47 2.1 -8.59 -0.7 -1
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134482 51704546 1 NO8C28H38 AB8C28D38 -353.95 6.44 0.0 0.0 1
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134483 51704845 1 SCl2N3O3C22H24 AB2C3D3E22F24 -76.16 12.66 0.0 0.0 0
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134484 51704945 1 FN2O5H19C28 AB2C5D19E28 -125.32 5.53 -8.68 -1.22 0
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134485 51704946 1 ClN4O5H15C21 AB4C5D15E21 -23.58 9.82 -9.74 -2.07 0
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134486 51704947 1 N4O5H24C25 A4B5C24D25 -80.6 7.42 -9.16 -1.25 0
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134487 51704948 1 F3N3O6C22H28 A3B3C6D22E28 -388.13 8.58 -9.35 -0.72 0
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134488 51704949 1 NSO6C27H29 ABC6D27E29 -197.52 6.96 -8.3 -0.67 0
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134489 51704950 1 ClNSO4C26H26 ABCD4E26F26 -129.08 6.64 -9.05 -0.77 0
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134490 51704974 1 NSCl2O3C20H25 ABC2D3E20F25 -118.16 9.57 -9.65 -0.23 1
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134491 51705315 1 N3O3C26H28 A3B3C26D28 -81.71 4.32 0.0 0.0 0
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134492 51705429 1 N2O3S3H18C23 A2B3C3D18E23 -38.8 5.19 -8.93 -0.76 0
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134493 51705512 1 ClNSO5C24H28 ABCD5E24F28 -207.74 5.84 -8.64 -0.75 0
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134494 51705547 1 ClN4O4C19H23 AB4C4D19E23 -123.55 17.41 -9.1 -0.77 1
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134495 51705621 1 N5O7C24H38 A5B7C24D38 -296.45 7.39 0.0 0.0 0
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134496 51706225 1 NSO5C22H27 ABC5D22E27 -201.75 6.62 -8.83 -1.0 0
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134497 51706512 1 BrNO3C19H22 ABC3D19E22 -110.98 6.08 -8.81 -0.2 0
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134498 51706539 1 NO8C26H33 AB8C26D33 -316.99 7.39 -8.51 -0.47 0
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134499 51706721 2 NO3H13C14 AB3C13D14 -165.69 5.86 -8.35 -0.35 0
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134500 51707441 1 NO2C17H27 AB2C17D27 -94.4 2.25 -8.64 0.39 0
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134501 51707442 1 N3O3H25C31 A3B3C25D31 28.72 3.12 -8.54 -0.35 0
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134503 51708052 2 NO2H14C15 AB2C14D15 -52.41 0.15 -9.31 -0.64 0
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134504 51708053 2 NO2H14C15 AB2C14D15 -110.5 0.65 -9.02 -0.3 0
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134505 51708054 2 NO2H14C15 AB2C14D15 -109.81 1.34 -9.02 -0.27 -1
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134506 51708347 1 O5N8H11C17 A5B8C11D17 137.64 11.04 0.0 0.0 0
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134507 51708469 1 BrSN3O3C17H20 ABC3D3E17F20 -121.84 7.74 -8.7 -0.43 0
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134508 51708489 2 NO2C11H13 AB2C11D13 -96.77 8.53 -8.44 -0.07 0
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134509 51708490 2 NO2C11H13 AB2C11D13 -98.06 7.41 -8.53 -0.01 0
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134510 51708491 2 NO2C11H13 AB2C11D13 -95.29 8.18 -8.58 -0.11 0
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134511 51708499 1 NSO5C29H33 ABC5D29E33 -181.23 4.97 -8.83 -0.59 0