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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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393429 135020557 1 NO7C21H25 AB7C21D25 -214.74 4.24 -8.62 -1.06 0
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393430 135020561 1 ISiO3C19H29 ABC3D19E29 -150.6 1.33 -8.76 -0.88 0
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393431 135020564 1 ClN2O5H13C18 AB2C5D13E18 -152.11 7.52 -9.46 -1.32 0
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393432 135020565 1 N2O6H16C19 A2B6C16D19 -187.54 5.99 -9.28 -0.93 0
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393433 135020588 3 NOC6H7 ABC6D7 -31.68 6.66 -8.62 -0.54 0
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393434 135020591 1 O10H24C25 A10B24C25 -365.99 2.66 -9.2 -2.32 0
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393435 135020592 1 OI2H12C18 AB2C12D18 50.69 1.6 -8.95 -1.35 0
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393436 135020594 1 SF2N3O4H15C20 AB2C3D4E15F20 -125.07 2.5 -9.36 -1.2 1
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393437 135020596 1 SN5C26H36 AB5C26D36 68.98 10.34 0.0 0.0 0
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393438 135020597 1 SN5C26H35 AB5C26D35 50.45 8.97 -8.26 -0.42 0
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393439 135020598 1 N2H12C13 A2B12C13 99.81 4.94 -8.8 -0.56 0
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393440 135020599 2 NO2H7C8 AB2C7D8 -36.17 5.77 -9.36 -1.53 0
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393441 135020601 1 O6H26C29 A6B26C29 -137.24 4.9 -8.53 -1.43 0
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393442 135020610 1 O2H16C23 A2B16C23 9.6 3.52 -9.18 -0.95 0
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393443 135020611 1 NO5H13C23 AB5C13D23 -30.89 7.08 -9.07 -2.02 0
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393444 135020615 1 BrO2H15C16 AB2C15D16 -24.81 3.38 -8.82 -0.4 0
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393445 135020616 1 BrO3C17H17 AB3C17D17 -59.36 4.42 -8.32 -0.29 0
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393446 135020617 1 BrO5C19H21 AB5C19D21 -130.24 3.54 -8.67 -0.4 0
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393447 135020618 1 BrO4C18H19 AB4C18D19 -89.3 4.22 -8.58 -0.25 0
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393448 135020619 1 BrO6C20H23 AB6C20D23 -162.99 3.53 -8.3 -0.39 0
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393449 135020620 1 BrO4C18H19 AB4C18D19 -99.28 2.92 -8.66 -0.26 0
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393450 135020622 1 NC19H33 AB19C33 -22.94 1.14 -8.43 0.62 0
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393451 135020623 1 BrO3C17H17 AB3C17D17 -73.03 4.78 -9.05 -0.28 0
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393452 135020624 1 O2C13H14 A2B13C14 -66.2 4.9 -9.3 -0.5 0
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393453 135020625 1 SeO2H16C17 AB2C16D17 -36.25 4.53 -8.64 -0.41 0
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393454 135020626 1 O2H14C27 A2B14C27 52.47 7.49 -8.79 -1.46 0
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393455 135020628 1 NS2C8H15 AB2C8D15 36.06 4.19 -8.74 -0.47 0
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393456 135020629 1 O2C13H18 A2B13C18 -84.83 1.33 -9.92 -0.36 0
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393457 135020632 1 SO3C19H26 AB3C19D26 -151.72 2.82 -8.6 -0.76 0
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393458 135020634 1 NSO6C16H27 ABC6D16E27 -268.52 3.71 -8.36 0.26 0
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393459 135020635 1 SiO2C26H34 AB2C26D34 -76.66 3.31 -9.26 0.36 0
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393460 135020636 1 NOSiC19H25 ABCD19E25 -24.25 2.91 -9.3 -0.26 0
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393461 135020637 1 OC12H20 AB12C20 -54.6 3.08 -9.43 0.37 0
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393462 135020639 4 NH7C9 AB7C9 133.13 3.1 -8.36 -0.24 0
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393463 135020640 4 NH7C9 AB7C9 135.43 1.96 -8.38 -0.09 0
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393464 135020642 1 Si2O5C24H50 A2B5C24D50 -361.78 3.6 -8.65 0.7 0
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393465 135020643 1 O5C19H26 A5B19C26 -187.1 3.44 -9.53 0.18 0
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393466 135020644 2 SiO3C11H22 AB3C11D22 -378.8 4.63 -8.67 -0.09 0
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393467 135020645 1 ON2H12C15 AB2C12D15 54.25 3.73 -8.88 -1.42 0
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393468 135020646 1 ClNO3H14C21 ABC3D14E21 -22.99 5.59 -9.41 -1.29 0
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393471 135020701 1 N3O3C20H22 A3B3C20D22 -18.08 1.29 0.0 0.0 0
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393472 135020703 1 NO3C20H21 AB3C20D21 -73.06 3.31 -9.46 -0.17 0
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393473 135020704 3 NOC5H9 ABC5D9 -119.37 3.84 -9.43 -0.86 1
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393474 135020705 1 N3O3C15H28 A3B3C15D28 -98.94 6.14 0.0 0.0 0
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393475 135020729 1 NO5C22H23 AB5C22D23 -155.42 2.29 -8.01 0.05 0
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393476 135020731 1 NO4C21H21 AB4C21D21 -116.72 1.75 -8.43 0.01 0
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393477 135020732 1 NO4C19H25 AB4C19D25 -163.1 3.81 -8.85 0.16 0
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393478 135020733 1 NO4C14H15 AB4C14D15 -129.15 1.44 -9.09 -0.92 0
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393479 135020734 1 BSN2O2C17H21 ABC2D2E17F21 -110.08 3.89 -8.74 -0.6 0
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393480 135020741 1 SSiO4C25H34 ABC4D25E34 -128.0 10.5 -8.83 -0.83 0
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393481 135020742 1 PO4C9H21 AB4C9D21 -282.08 3.24 -10.76 0.88 0
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393482 135020743 1 PN4O5C38H47 AB4C5D38E47 -115.31 1.15 -7.92 -1.32 0
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393483 135020744 1 O5C18H26 A5B18C26 -202.69 2.66 -8.7 -0.32 0
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393484 135020745 1 SiO4C16H32 AB4C16D32 -259.28 4.32 -9.26 -0.31 0
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393485 135020746 1 SiO4C19H34 AB4C19D34 -239.62 1.64 -9.32 -0.4 0
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393486 135020747 1 BrN2H15C20 AB2C15D20 101.77 5.52 -8.84 -0.8 0
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393487 135020748 1 N3C25H35 A3B25C35 36.33 1.3 -8.29 0.4 0
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393488 135020750 1 N2O3C21H22 A2B3C21D22 -71.68 4.81 -9.5 -0.9 0
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393490 135020753 1 ClPN5O7C16H17 ABC5D7E16F17 -271.49 10.62 -9.68 -0.91 1
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393491 135020756 1 AgPO4H29C44 ABC4D29E44 -130.14 16.02 0.0 0.0 0
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393492 135020757 1 NO3C15H27 AB3C15D27 -179.37 3.72 -9.52 0.57 0
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393493 135020758 2 O3C7H8 A3B7C8 -189.14 2.14 -9.89 -0.43 0
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393494 135020761 1 ON3C19H35 AB3C19D35 -25.54 4.34 -9.83 0.13 0
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393495 135020763 1 ON3C20H37 AB3C20D37 -32.07 4.05 -9.75 0.24 0
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393496 135020764 2 IH8C21 AB8C21 178.22 0.11 -8.34 -1.67 0
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393497 135020765 2 H23C55 A23B55 536.4 1.15 -7.63 -1.79 0
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393498 135020766 1 OSSiC20H34 ABCD20E34 -81.5 3.6 -7.97 0.29 0
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393499 135020768 1 SiO2C18H30 AB2C18D30 -124.22 3.73 -9.54 0.2 0
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393500 135020770 1 NOH15C17 ABC15D17 54.44 4.5 -8.85 -0.05 0
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393501 135020855 1 NO2H19C23 AB2C19D23 68.17 6.8 -9.21 -1.24 0
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393502 135020857 1 NO5H9C13 AB5C9D13 -45.71 4.24 -9.75 -1.97 0
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393503 135020860 1 ISN2H13C14 ABC2D13E14 70.45 4.01 -8.63 -1.09 0
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393505 135020867 1 NO4C22H23 AB4C22D23 -117.96 3.96 -9.17 0.05 0
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393506 135020870 2 NO3C6H7 AB3C6D7 -191.18 1.88 -10.28 -0.85 0
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393507 135020872 2 OH10C12 AB10C12 -6.16 2.96 -8.58 -0.51 0