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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1513 4625 1 ON2H10C13 AB2C10D13 22.98 1.89 -8.54 -1.12 0
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1514 4626 1 N2O3C6H10 A2B3C6D10 -140.06 2.16 -9.91 0.22 0
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1515 4628 1 NO5H11C13 AB5C11D13 -161.62 10.71 -9.24 -1.21 0
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1516 4629 1 ON2C11H19 AB2C11D19 22.52 3.57 0.0 0.0 1
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1517 4630 1 ON2C12H18 AB2C12D18 -1.4 4.62 -9.08 0.97 0
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1518 4631 1 NO3C15H23 AB3C15D23 -97.79 1.32 -8.44 0.2 0
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1519 4632 1 O3H12C14 A3B12C14 -69.11 4.42 -9.34 -0.48 0
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1520 4633 1 N2O3C17H28 A2B3C17D28 -129.66 2.61 -8.39 -0.39 0
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1521 4634 1 NO3C22H31 AB3C22D31 -82.15 2.59 -8.69 0.26 0
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1522 4637 1 NO4C19H27 AB4C19D27 -151.05 5.27 -8.5 -0.21 0
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1523 4641 1 N2O3C19H20 A2B3C19D20 -65.42 1.19 -8.71 -0.28 0
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1524 4642 1 N2O3C20H28 A2B3C20D28 -107.44 4.71 -9.01 0.27 0
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1525 4643 1 NO3C22H36 AB3C22D36 -118.71 3.65 0.0 0.0 1
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1526 4645 1 N2O9C22H24 A2B9C22D24 -349.9 0.88 -9.2 -1.03 0
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1527 4646 1 N2O2H12C13 A2B2C12D13 -9.76 4.07 -9.52 -1.29 0
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1528 4647 1 Cl2N2O3C11H14 A2B2C3D11E14 -129.21 4.54 -8.61 -0.49 0
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1529 4649 1 NO3C7H7 AB3C7D7 -116.22 7.25 -9.33 -0.6 0
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1530 4650 2 OH2C3 AB2C3 -27.63 0.33 -10.59 -2.08 0
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1531 4651 1 N2O2C17H28 A2B2C17D28 -96.47 4.42 -8.62 -0.21 0
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1532 4652 1 ClNO2C9H10 ABC2D9E10 -77.21 2.67 -9.81 -0.62 0
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1533 4654 1 FNO2C9H10 ABC2D9E10 -115.09 2.71 -9.99 -0.55 0
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1534 4655 1 NOC10H15 ABC10D15 -36.21 2.77 -8.78 0.17 0
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1535 4656 1 ICl2N3H8C9 AB2C3D8E9 54.44 2.47 -9.16 -1.22 0
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1536 4658 1 IO2N4C25H27 AB2C4D25E27 31.08 3.79 -8.62 -1.04 0
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1537 4661 1 NO4H7C8 AB4C7D8 -71.76 3.31 -10.95 -1.82 0
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1538 4663 1 P5N7C20O23H30 A5B7C20D23E30 -1263.53 8.58 -9.53 -1.0 0
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1539 4664 1 SP3N10O14C21H29 AB3C10D14E21F29 -655.4 6.36 -8.97 -1.04 0
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1540 4665 1 ClFON3H13C20 ABCD3E13F20 27.42 3.58 -9.05 -1.42 0
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1541 4666 1 NO14C47H51 AB14C47D51 -470.11 12.69 -9.69 -0.74 0
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1542 4667 1 O4C25H38 A4B25C38 -191.38 4.99 -9.68 -1.08 0
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1543 4668 2 OC8H15 AB8C15 -146.16 1.74 -9.55 0.57 0
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1544 4669 1 NO4C22H44 AB4C22D44 -175.18 4.35 0.0 0.0 1
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1545 4670 1 OF3C17H31 AB3C17D31 -265.91 3.83 -10.88 -0.71 0
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1546 4671 1 NO2C18H37 AB2C18D37 -167.91 3.17 -9.88 1.02 0
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1547 4672 1 N3O53C130H225 A3B53C130D225 -2583.44 17.54 -9.67 -0.37 0
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1548 4673 1 NNa2P2C3O7H9 AB2C2D3E7F9 -538.07 6.59 -8.59 0.79 0
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1549 4675 1 N2O4C35H60 A2B4C35D60 -210.27 28.51 -6.89 -1.29 2
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1550 4678 1 NO4C9H19 AB4C9D19 -210.76 1.17 -9.73 1.06 0
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1551 4680 1 NO4C20H21 AB4C20D21 -82.12 3.43 -8.04 -0.6 0
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1552 4681 1 N13O21C66H105 A13B21C66D105 -944.44 5.44 -8.97 -0.86 0
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1553 4682 1 N13O21C65H103 A13B21C65D103 -993.78 2.28 -9.08 -0.1 0
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1554 4683 1 NSO7C12H17 ABC7D12E17 -235.1 1.82 -9.12 -0.85 0
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1555 4684 1 ClOH5C6 ABC5D6 -30.75 1.97 -9.12 -0.3 0
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1556 4688 1 NC11H13 AB11C13 78.15 0.92 -9.06 0.38 0
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1557 4689 1 N5O14C23H45 A5B14C23D45 -628.79 7.66 -9.39 0.58 0
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1558 4690 1 Cl2N2O3H6C9 A2B2C3D6E9 -68.66 1.98 -9.57 -1.39 0
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1559 4691 1 FNO3C19H20 ABC3D19E20 -113.08 2.06 -8.44 -0.22 0
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1560 4692 1 O3C15H20 A3B15C20 -89.43 7.98 -9.7 -0.31 0
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1561 4693 2 SO3N4C19H24 AB3C4D19E24 -173.71 10.94 -9.17 -1.24 0
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1562 4695 1 N2S2O6C27H33 A2B2C6D27E33 -186.29 3.45 0.0 0.0 1
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1563 4697 1 NO4C27H33 AB4C27D33 -138.46 1.38 -8.06 -0.4 0
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1564 4698 1 NSO4C19H23 ABC4D19E23 -153.71 2.99 -8.53 -0.41 0
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1565 4701 1 O3N4C31H32 A3B4C31D32 -25.9 6.16 -8.89 -0.18 0
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1566 4702 1 SO2C9H10 AB2C9D10 -69.43 3.54 -9.76 -0.51 0
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1567 4703 1 SO2C10H10 AB2C10D10 -55.28 5.16 -9.08 -0.73 0
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1568 4705 1 BrO2N3H14C16 AB2C3D14E16 12.37 2.93 -8.77 -1.02 0
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1569 4707 1 BrN5H12C14 AB5C12D14 99.91 5.62 -8.54 -1.18 0
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1570 4708 1 BrON4H13C17 ABC4D13E17 63.54 7.54 -8.62 -1.03 0
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1571 4709 1 BrON4H15C17 ABC4D15E17 34.65 4.92 -8.65 -1.01 0
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1572 4710 1 NO2C14H29 AB2C14D29 -149.92 3.48 -9.69 2.15 0
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1573 4711 1 ISO2C9H9 ABC2D9E9 -51.81 2.09 -9.48 -0.98 0
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1574 4713 1 NO3H13C16 AB3C13D16 -48.22 5.9 -8.53 -0.64 0
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1575 4715 1 O3C32H50 A3B32C50 -38.51 4.39 -9.67 -0.04 0
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1576 4717 1 O3C35H52 A3B35C52 8.26 1.08 -9.12 -0.08 0
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1577 4719 1 O3C32H52 A3B32C52 -71.77 3.5 -9.92 -0.08 0
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1578 4720 2 O2C21H29 A2B21C29 -142.95 6.13 -8.49 -0.41 0
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1579 4721 2 O2C21H29 A2B21C29 -120.57 3.06 -8.54 -0.08 0
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1580 4722 2 O2C21H29 A2B21C29 -121.95 2.45 -8.36 0.2 0
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1581 4723 1 N2O2H8C9 A2B2C8D9 -27.2 5.47 -9.65 -0.42 0
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1582 4726 1 S2F3N3O4C13H18 A2B3C3D4E13F18 -309.31 9.86 -9.93 -1.36 0
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1583 4728 2 O2C4H5 A2B4C5 -137.63 4.64 -10.42 -0.69 0
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1584 4729 1 SN2O4C16H17 AB2C4D16E17 -120.91 6.59 0.0 0.0 -1
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1585 4730 1 SN2O5C16H17 AB2C5D16E17 -153.59 7.28 0.0 0.0 -1
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1586 4731 1 SN2O5C16H18 AB2C5D16E18 -166.26 5.43 -9.48 -0.65 0
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1587 4732 1 ClNO6C37H44 ABC6D37E44 -124.16 1.91 -8.32 -0.48 0
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1588 4733 2 O2H5C11 A2B5C11 -42.17 0.14 -10.46 -2.32 0
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1589 4738 1 S4C14O21H26 A4B14C21D26 -864.42 5.7 -10.16 -1.48 0
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1590 4740 1 O3N4C13H18 A3B4C13D18 -106.48 4.19 -9.19 -0.62 0
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1591 4741 1 S2N18O21C61H88 A2B18C21D61E88 -785.71 10.53 -9.12 -1.34 0
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1592 4743 1 N5O9C34H63 A5B9C34D63 -535.24 7.49 -9.78 0.54 0
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1593 4744 1 SN3C20H25 AB3C20D25 53.47 4.8 -7.54 -0.13 0
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1594 4745 1 SN2C19H26 AB2C19D26 20.99 1.64 -8.16 0.24 0
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1595 4746 1 NC19H35 AB19C35 -57.93 1.49 -8.72 3.21 0
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1596 4747 1 OSN3C21H23 ABC3D21E23 27.88 5.72 -8.08 -0.89 0
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1597 4749 1 O9C30H44 A9B30C44 -410.26 8.3 -9.76 -0.23 0
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1598 4750 1 ClFOSN4C15H16 ABCDE4F15G16 -18.32 4.57 -9.02 -0.61 0
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1599 4751 1 FOSN5C16H16 ABCD5E16F16 19.0 7.26 -8.93 -1.03 0
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1600 4752 1 SN8O11C35H48 AB8C11D35E48 -478.0 5.4 -8.7 -0.7 0
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1601 4755 1 ClON7C12H12 ABC7D12E12 37.34 1.9 -8.58 -0.68 0
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1602 4756 1 N5C11H11 A5B11C11 95.61 2.0 -8.33 -0.76 0
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1603 4758 1 SN2O5C17H19 AB2C5D17E19 -154.91 5.99 0.0 0.0 -1
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1604 4759 1 SN2O5C17H20 AB2C5D17E20 -175.13 4.35 -9.37 -0.6 0
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1605 4760 1 O2H10C15 A2B10C15 -11.01 2.85 -9.51 -1.3 0
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1606 4761 2 NC8H10 AB8C10 48.38 0.71 -8.7 -0.02 0
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1607 4763 1 N2O3C12H12 A2B3C12D12 -109.64 2.06 -10.05 -0.67 0
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1608 4765 1 SO4C6H6 AB4C6D6 -147.25 5.1 -10.17 -0.86 0
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1609 4766 1 SO5H14C19 AB5C14D19 -126.13 6.78 -9.21 -0.95 0
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1610 4768 1 ClNOC18H22 ABCD18E22 -9.64 3.25 -8.94 0.18 0
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1611 4769 1 KSN2O5C16H17 ABC2D5E16F17 -212.15 6.96 -8.71 -0.07 0
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1612 4771 1 NC10H15 AB10C15 1.05 1.71 -9.22 0.43 0