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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397616 135030473 2 NOC8H9 ABC8D9 -41.73 2.67 -9.81 -0.97 0
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397617 135030474 1 N2O2C17H20 A2B2C17D20 -51.53 3.4 -9.45 -0.89 0
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397618 135030476 1 BrNOSH14C16 ABCDE14F16 9.78 4.44 -9.31 -0.99 0
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397619 135030477 1 FNH24C33 ABC24D33 99.74 3.45 -8.3 -0.24 0
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397620 135030478 1 NH27C34 AB27C34 163.24 2.03 -8.04 0.06 0
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397621 135030479 1 ClNH26C34 ABC26D34 152.3 3.63 -8.15 -0.07 0
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397622 135030483 1 N3O3C18H23 A3B3C18D23 -120.98 3.51 -8.95 -0.61 0
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397623 135030484 1 SO3C15H22 AB3C15D22 -116.62 2.73 -8.35 -0.02 1
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397624 135030485 1 S2F3O5C16H22 A2B3C5D16E22 -370.52 4.81 0.0 0.0 -1
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397625 135030486 1 SC3H7 AB3C7 62.25 2.02 0.0 0.0 -1
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397626 135030487 1 C12H13 A12B13 42.24 0.79 0.0 0.0 0
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397627 135030488 1 NOH21C24 ABC21D24 56.0 2.64 -8.5 -0.61 0
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397629 135030490 1 BrNOH14C17 ABCD14E17 36.59 2.98 -8.77 -0.78 0
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397630 135030491 1 FNH12C15 ABC12D15 3.71 3.08 -8.92 -0.81 1
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397631 135030493 1 ON3C26H32 AB3C26D32 70.0 17.7 0.0 0.0 0
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397632 135030494 1 ON3C26H31 AB3C26D31 40.01 5.48 -8.64 -0.49 0
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397633 135030495 1 O2F3S3C13H17 A2B3C3D13E17 -259.32 7.81 -9.02 -0.84 0
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397634 135030496 1 SiO4C21H30 AB4C21D30 -188.89 0.3 -8.85 -0.16 0
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397635 135030497 1 Si2O4C27H44 A2B4C27D44 -255.48 1.26 -8.76 -0.1 0
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397636 135030498 1 SiO4C21H30 AB4C21D30 -186.79 0.17 -8.84 -0.1 0
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397637 135030499 1 BIO2C11H18 ABC2D11E18 -140.94 4.63 -9.07 -0.66 0
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397638 135030500 1 BO4C22H33 AB4C22D33 -204.93 4.01 -8.79 -0.27 0
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397639 135030501 1 BO4C22H35 AB4C22D35 -248.21 4.66 -8.58 -0.08 0
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397640 135030502 1 N2O3C16H16 A2B3C16D16 1.79 9.71 -8.95 -0.99 0
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397641 135030504 1 NSiO4C16H25 ABC4D16E25 -193.08 3.51 -9.57 -0.77 1
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397642 135030508 1 NOH20C21 ABC20D21 30.05 2.38 0.0 0.0 0
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397643 135030510 1 SO2C17H22 AB2C17D22 -44.65 3.37 -8.46 -0.17 0
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397644 135030514 1 O3C17H22 A3B17C22 -80.33 3.4 -8.94 -0.18 0
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397645 135030516 1 O3C17H24 A3B17C24 -107.36 3.83 -9.27 0.78 0
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397646 135030519 1 BrNSO4C24H30 ABCD4E24F30 -105.95 5.72 -9.41 -0.36 0
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397647 135030522 1 BrO6C24H33 AB6C24D33 -228.39 0.97 -9.65 -0.04 0
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397648 135030524 1 ON3H15C16 AB3C15D16 56.62 3.77 -8.3 -0.38 0
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397649 135030525 1 ON2H20C23 AB2C20D23 54.56 2.9 -8.74 -0.08 0
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397650 135030526 1 ON3H21C23 AB3C21D23 66.17 5.62 -8.14 -0.14 0
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397651 135030528 1 N4H12C13 A4B12C13 123.33 3.28 -8.52 -0.44 0
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397652 135030529 1 SN5O5C30H37 AB5C5D30E37 -125.24 7.18 -8.84 -0.81 0
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397656 135030534 1 OH34C35 AB34C35 84.71 1.73 -8.94 0.22 0
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397658 135030536 1 OF3H25C30 AB3C25D30 -49.32 3.23 -9.66 -0.79 0
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397659 135030537 1 NO2C12H21 AB2C12D21 -71.47 4.26 -8.99 0.19 0
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397660 135030538 1 NF2O2C14H19 AB2C2D14E19 -192.19 2.7 -9.21 -0.4 0
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397661 135030539 1 NSF2O3C18H19 ABC2D3E18F19 -192.12 2.69 -9.18 -0.95 0
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397662 135030540 1 NSiF2O2C26H29 ABC2D2E26F29 -176.98 2.93 -8.99 -0.51 0
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397663 135030541 1 NOF2C19H19 ABC2D19E19 -116.23 1.26 -9.08 -0.4 0
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397664 135030542 1 BrNOF2H16C17 ABCD2E16F17 -107.25 3.33 -9.23 -0.43 0
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397665 135030543 1 O4C21H22 A4B21C22 -117.14 4.79 -9.41 -0.77 0
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397666 135030544 1 NO5C17H23 AB5C17D23 -206.43 1.92 -9.57 0.04 0
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397667 135030545 1 F2N3O3C27H27 A2B3C3D27E27 -167.37 4.66 -9.2 -0.42 0
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397668 135030546 1 NO3C19H19 AB3C19D19 -75.78 4.83 -9.18 -1.47 0
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397669 135030548 1 SSiO2C24H36 ABC2D24E36 -124.13 2.37 -8.06 -0.09 0
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397670 135030549 1 NS2O3C17H17 AB2C3D17E17 -63.49 3.75 -8.16 -0.43 0
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397671 135030550 1 NO2S2H19C22 AB2C2D19E22 -0.03 6.18 -8.18 -0.86 0
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397672 135030551 1 NO8C34H49 AB8C34D49 -383.26 6.23 -9.36 -0.24 0
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397673 135030556 1 NO3C17H19 AB3C17D19 -83.05 3.27 -8.64 0.1 0
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397674 135030563 1 NO2C5H10 AB2C5D10 -67.63 1.99 0.0 0.0 0
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397675 135030564 1 SiO3C14H26 AB3C14D26 -183.56 5.16 -8.97 -0.36 0
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397676 135030565 1 ON2C22H26 AB2C22D26 -2.98 4.54 -8.05 0.17 0
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397677 135030566 2 NO2C12H14 AB2C12D14 -112.86 5.59 -7.83 -0.21 0
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397678 135030567 1 N2O3C25H30 A2B3C25D30 -74.17 2.84 -7.89 -0.37 0
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397679 135030568 2 NC4H7 AB4C7 25.04 1.35 -8.7 1.37 0
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397680 135030569 1 FNO4C12H18 ABC4D12E18 -209.54 4.33 -9.93 -0.54 0
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397681 135030571 1 O3Cl10C14H14 A3B10C14D14 -193.8 4.68 -10.67 -1.01 -1
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397682 135030572 1 O3Cl8C13H13 A3B8C13D13 -157.16 5.64 0.0 0.0 0
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397683 135030574 2 SC5H10 AB5C10 -41.56 2.94 -8.5 0.43 0
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397684 135030575 2 NC10H13 AB10C13 24.31 3.11 -8.85 -0.31 0
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397685 135030576 1 ON4H20C28 AB4C20D28 174.92 10.65 -10.24 -1.18 0
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397686 135030577 1 O5H26C28 A5B26C28 -118.13 1.82 -9.56 -0.82 0
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397687 135030578 1 O3H24C32 A3B24C32 47.36 3.14 -9.35 -1.88 0
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397688 135030579 1 NSiO4C28H47 ABC4D28E47 -223.08 4.82 -8.54 -0.96 0
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397689 135030580 1 NO4C19H27 AB4C19D27 -188.22 1.9 -9.62 -0.75 0
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397690 135030581 1 O7C43H60 A7B43C60 -270.49 3.85 -9.31 0.26 0
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397691 135030582 1 NO9C31H55 AB9C31D55 -478.7 3.64 -9.51 -0.61 0
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397692 135030583 1 O6H20C21 A6B20C21 -187.74 3.93 -9.8 -1.28 0
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397694 135030585 1 O5C19H30 A5B19C30 -234.55 4.29 -9.03 0.51 0
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397695 135030586 1 O2C17H30 A2B17C30 -149.85 2.41 -10.18 0.91 0
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397696 135030587 2 OC10H10 AB10C10 -9.55 3.0 -9.44 -0.76 0