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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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400585 135048425 1 N2O2C15H22 A2B2C15D22 -45.55 4.49 -8.56 0.22 0
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400586 135048428 1 AlLiN4C20H24 ABC4D20E24 23.8 5.91 -7.51 0.35 -1
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400587 135048429 1 AlN4C20H24 AB4C20D24 73.06 7.64 0.0 0.0 0
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400588 135048430 1 N2O9C30H32 A2B9C30D32 -288.05 7.99 -8.76 -0.56 0
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400589 135048431 2 NSiO5C21H30 ABC5D21E30 -455.11 3.54 -8.86 -0.51 0
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400590 135048432 2 O2C10H19 A2B10C19 -240.31 4.19 -9.9 0.45 0
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400591 135048433 1 BLiSC16H30 ABCD16E30 -54.6 6.32 -8.36 0.04 -1
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400592 135048434 1 BSC16H30 ABC16D30 -22.48 1.02 0.0 0.0 0
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400593 135048435 1 ClN2O3H21C26 AB2C3D21E26 -47.65 2.23 -8.7 -0.41 0
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400594 135048436 1 BC24H39 AB24C39 -20.02 1.04 -8.96 0.58 0
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400595 135048437 1 BLiC23H32 ABC23D32 1.15 8.6 -8.63 0.05 -1
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400596 135048438 1 BC23H32 AB23C32 40.55 0.44 0.0 0.0 0
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400597 135048440 1 BO2C32H63 AB2C32D63 -218.31 1.81 -8.74 0.66 0
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400598 135048447 1 BO4C15H27 AB4C15D27 -127.86 0.58 -9.34 -0.57 0
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400599 135048450 1 BC17H33 AB17C33 -42.2 1.06 -9.55 0.59 0
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400600 135048451 1 BOC22H43 ABC22D43 -160.71 1.24 -9.47 1.07 0
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400601 135048452 1 BClNO2C24H41 ABCD2E24F41 -219.82 7.37 -10.25 0.69 0
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400602 135048463 2 BNC12H18 ABC12D18 34.64 0.72 -8.75 0.48 0
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400604 135048477 1 BC14H25 AB14C25 -56.6 0.53 -9.51 0.82 0
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400605 135048478 1 BO2C30H51 AB2C30D51 -148.88 1.56 -9.04 0.53 0
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400606 135048486 1 BC21H33 AB21C33 -26.28 0.25 -9.43 0.47 0
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400608 135048505 1 NSO5C18H25 ABC5D18E25 -211.42 2.14 -9.83 -1.28 0
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400609 135048506 1 BLiC18H36 ABC18D36 -78.9 6.82 -8.5 2.18 -1
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400610 135048507 1 BC18H36 AB18C36 -31.14 0.66 0.0 0.0 0
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400611 135048508 1 BC15H25 AB15C25 -41.23 0.54 -9.52 0.77 0
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400612 135048509 1 BC15H25 AB15C25 -42.05 0.35 -9.29 0.72 0
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400613 135048510 1 BLiC19H38 ABC19D38 -77.6 7.04 -8.46 2.07 -1
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400614 135048511 1 BC19H38 AB19C38 -31.12 1.01 0.0 0.0 0
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400615 135048512 1 BBrO3C35H40 ABC3D35E40 -1.78 3.82 -6.82 -0.21 0
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400616 135048513 1 BC15H29 AB15C29 -70.49 0.36 -9.19 0.8 0
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400617 135048515 1 BBrC13H22 ABC13D22 -63.23 2.49 -9.44 -0.27 0
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400618 135048517 1 BClLiC14H23 ABCD14E23 -44.81 7.75 -8.53 0.42 0
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400619 135048519 1 NOSiC25H27 ABCD25E27 -12.96 2.6 -8.61 -0.1 0
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400620 135048520 1 LiON2C11H11 ABC2D11E11 50.4 8.92 -8.06 0.21 0
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400621 135048521 1 ON2C11H12 AB2C11D12 56.52 3.89 -9.16 -0.65 0
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400622 135048522 1 BCl2C20H35 AB2C20D35 -90.32 3.18 -9.47 -0.06 0
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400623 135048526 1 OPH21C22 ABC21D22 -12.35 4.42 -9.0 0.05 0
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400624 135048527 1 SO4C21H30 AB4C21D30 -171.87 6.16 -8.48 -0.16 0
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400625 135048529 1 N2O5C31H46 A2B5C31D46 -176.9 4.39 -8.04 0.26 0
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400626 135048540 1 BLiNC23H45 ABCD23E45 -99.63 6.45 -8.07 1.69 0
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400627 135048547 1 BO4C18H33 AB4C18D33 -152.24 1.0 -9.36 0.13 0
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400629 135048551 1 BBrC27H54 ABC27D54 -143.36 2.03 -8.77 -0.05 0
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400630 135048552 1 NSnC18H35 ABC18D35 -8.94 3.84 -9.5 0.92 0
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400631 135048553 1 BClC23H38 ABC23D38 -34.37 2.15 -9.38 0.22 0
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400632 135048554 1 BC6H9 AB6C9 72.76 0.76 -7.92 0.61 0
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400633 135048555 1 N2O3C13H24 A2B3C13D24 -126.86 0.81 -8.58 0.8 -1
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400634 135048559 1 BSC16H30 ABC16D30 -16.18 0.25 0.0 0.0 0
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400635 135048560 1 BNO2C21H34 ABC2D21E34 -120.04 3.0 -9.27 0.08 0
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400636 135048561 1 BC18H31 AB18C31 -53.0 1.56 -9.07 0.88 0
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400637 135048562 1 BLiOC17H28 ABCD17E28 -62.99 6.95 -7.49 2.0 0
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400638 135048564 1 BLiOC18H30 ABCD18E30 -49.34 7.43 -7.49 1.96 -1
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400639 135048565 1 BOC18H30 ABC18D30 -25.75 6.55 0.0 0.0 0
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400640 135048568 1 LiCl2H5C7 AB2C5D7 6.87 7.42 -7.28 0.34 0
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400641 135048572 1 O5C16H24 A5B16C24 -230.17 4.59 -10.12 0.39 0
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400642 135048573 1 OSC21H30 ABC21D30 -45.48 2.74 -8.56 -0.09 0
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400643 135048574 1 NSO2C23H39 ABC2D23E39 -121.02 5.0 -9.42 -0.15 -1
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400644 135048631 1 BSiC24H46 ABC24D46 -87.59 0.57 0.0 0.0 0
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400645 135048632 1 BLiOSiC27H52 ABCDE27F52 -164.34 5.4 -7.77 1.13 -1
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400646 135048633 1 BOSiC27H52 ABCD27E52 -140.79 1.98 0.0 0.0 0
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400647 135048634 1 BO2C8H15 AB2C8D15 -153.33 1.58 -9.87 0.76 0
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400648 135048635 1 BIC12H23 ABC12D23 -13.78 2.9 0.0 0.0 0
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400649 135048636 1 SnC10H18 AB10C18 17.91 0.51 -8.18 1.05 0
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400650 135048637 1 BO2C17H23 AB2C17D23 -123.66 2.48 -9.18 0.53 0
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400651 135048638 1 BOC20H25 ABC20D25 -35.3 2.77 -8.97 0.11 0
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400652 135048639 1 BOC20H31 ABC20D31 -71.05 1.83 -8.97 0.8 0
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400653 135048641 1 NPB2O3F4C9H22 ABC2D3E4F9G22 -557.62 7.82 -10.96 -0.06 1
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400654 135048642 1 BNPO3C9H22 ABCD3E9F22 -162.27 1.12 0.0 0.0 0
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400655 135048643 1 BPH16C18 ABC16D18 151.89 4.95 -6.68 -0.2 0
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400656 135048644 1 BNPH21C22 ABCD21E22 117.91 6.35 -7.24 -0.34 0
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400657 135048645 1 BClPH15C18 ABCD15E18 91.19 5.85 -7.45 -0.24 -1
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400659 135048647 1 BNSi2O3C41H60 ABC2D3E41F60 -249.92 3.45 -8.53 0.2 0
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400661 135048649 1 BLiP2H34C38 ABC2D34E38 96.96 9.39 -7.95 -0.88 0
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400662 135048650 1 BN2S3O6F12H33C47 AB2C3D6E12F33G47 -755.62 6.24 -8.4 -1.76 0
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400663 135048656 1 BN2S2O6F12H33C43 AB2C2D6E12F33G43 -799.69 4.46 -9.09 -1.75 0
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400664 135048657 1 BBrC14H24 ABC14D24 -38.91 1.55 -9.3 -0.1 0
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400665 135048677 1 OB2N2F4C9H16 AB2C2D4E9F16 -391.92 19.58 -10.96 -2.13 0
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400666 135048679 1 BSiCl2C3H7 ABC2D3E7 -34.93 2.13 -8.1 -0.08 0
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400667 135048683 1 BN2O4C14H25 AB2C4D14E25 -229.74 6.91 -9.46 0.27 0
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400668 135048684 1 B2Cl2Si2C27H43 A2B2C2D27E43 -151.57 2.07 0.0 0.0 0
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400669 135048685 2 BClSiC14H22 ABCD14E22 -156.2 2.67 -8.27 -0.54 0
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400670 135048686 1 BNOC13H26 ABCD13E26 -10.86 2.0 -7.74 0.64 0
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400671 135048687 1 BNO3C21H24 ABC3D21E24 -123.33 5.82 -8.77 -0.23 0
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400672 135048688 1 BNO5C18H24 ABC5D18E24 -242.55 7.72 -8.85 -0.28 0
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400673 135048690 1 BO4C16H25 AB4C16D25 -225.29 1.71 -9.33 0.39 0
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400674 135048692 1 BBrOC17H34 ABCD17E34 -151.69 1.83 -9.37 0.16 0
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400675 135048694 1 LiNSH20C24 ABCD20E24 139.43 12.4 -7.63 -0.66 0
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400676 135048695 1 NSH21C24 ABC21D24 87.68 2.39 -7.92 -0.39 -1
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400677 135048698 1 BBrO3C26H29 ABC3D26E29 -132.09 2.93 0.0 0.0 1
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400678 135048700 1 BNPH20C21 ABCD20E21 154.11 5.44 0.0 0.0 0
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400679 135048731 1 BLiOC17H34 ABCD17E34 -120.36 7.23 -8.21 2.21 0
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400680 135048760 1 BNO3C15H32 ABC3D15E32 -228.54 2.78 -8.4 1.79 0
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400681 135048761 2 BSiC7H17 ABC7D17 -119.66 0.17 -8.2 0.85 0
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400682 135048762 1 BSiF10H17C23 ABC10D17E23 -424.53 3.6 -8.83 -1.3 0
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400683 135048763 1 B2O4C15H20 A2B4C15D20 -273.74 3.26 -9.07 0.69 0
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400684 135048764 1 NSO2C10H13 ABC2D10E13 -71.52 1.62 -8.36 -1.14 -1
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400685 135048765 1 BBrNC17H30 ABCD17E30 -18.72 3.22 0.0 0.0 0
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400686 135048766 1 BNC14H24 ABC14D24 -5.14 5.16 -9.27 -0.3 0
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400687 135048767 1 BPC10H15 ABC10D15 115.74 5.77 0.0 0.0 -1
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400688 135048768 1 BPC10H14 ABC10D14 101.53 1.89 -7.66 -0.2 0
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400689 135048769 1 IB3N4C9H23 AB3C4D9E23 1.62 5.57 0.0 0.0 1