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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1613 4772 1 ON3C17H22 AB3C17D22 10.35 4.29 0.0 0.0 1
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1614 4773 1 ON3C17H21 AB3C17D21 15.01 4.81 -8.19 0.08 0
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1615 4774 1 ON3C17H17 AB3C17D17 34.29 4.94 -8.26 -0.15 0
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1616 4775 2 OC5H6 AB5C6 -77.81 4.4 -9.56 0.18 0
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1617 4777 1 PN6O7C19H25 AB6C7D19E25 -282.53 3.79 -9.01 -0.48 0
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1618 4778 1 AsOH5C6 ABC5D6 99.24 2.16 -8.65 -1.14 0
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1619 4780 1 N5C8H11 A5B8C11 53.57 2.7 -8.48 -0.05 0
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1620 4782 1 NO2C9H13 AB2C9D13 -69.77 3.66 -9.05 0.15 0
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1621 4783 1 IO2C17H21 AB2C17D21 -23.83 1.31 -9.38 -0.66 0
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1622 4784 1 FSO2C7H7 ABC2D7E7 -110.36 4.89 -9.92 -0.32 0
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1624 4786 1 NOC9H13 ABC9D13 -30.81 2.83 -9.26 0.02 0
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1625 4787 1 N2O2H11C15 A2B2C11D15 24.06 2.39 0.0 0.0 -1
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1626 4788 1 O5H14C15 A5B14C15 -189.45 4.02 -8.91 -0.66 0
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1627 4789 1 O10C21H24 A10B21C24 -401.8 6.67 -8.96 -0.84 0
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1628 4790 1 PO2S3C7H17 AB2C3D7E17 -177.87 5.98 -8.88 -0.6 0
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1629 4791 1 O9C35H52 A9B35C52 -390.36 7.92 -9.8 -0.84 0
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1630 4792 4 O2C9H14 A2B9C14 -389.99 9.82 -9.36 -0.04 0
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1631 4793 1 ClNPS2O4C12H15 ABCD2E4F12G15 -229.63 4.23 -9.35 -1.01 0
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1632 4794 1 NPO4C5H12 ABC4D5E12 -238.37 5.48 -9.7 0.78 0
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1633 4795 1 P3N6C10O12H17 A3B6C10D12E17 -640.09 3.11 -9.17 -0.66 0
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1634 4796 1 F2P3N5C11O12H16 A2B3C5D11E12F16 -726.63 5.97 -9.12 -0.55 0
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1635 4797 1 NPC2H6O6 ABC2D6E6 -288.44 3.0 -9.94 -0.25 0
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1636 4798 1 P2N5O9C11H17 A2B5C9D11E17 -440.93 3.62 -9.25 -0.71 0
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1637 4799 1 P3N5C11O12H18 A3B5C11D12E18 -630.28 3.46 -9.2 -0.63 0
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1638 4800 1 P3N5C11O13H18 A3B5C11D13E18 -665.36 12.44 -9.32 -0.67 0
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1639 4801 1 PNa2C3O4H5 AB2C3D4E5 -266.95 6.81 -8.22 0.82 0
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1640 4802 1 PN3O10C23H34 AB3C10D23E34 -505.36 3.5 -8.65 -0.15 0
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1641 4806 1 S2N3O5H13C17 A2B3C5D13E17 -116.11 11.26 -8.59 -1.56 0
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1642 4808 1 SO8C36H58 AB8C36D58 -409.34 3.56 -8.95 -1.2 0
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1643 4809 1 N4O6C33H40 A4B6C33D40 -203.82 7.11 -8.63 -1.91 0
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1644 4814 1 O3N4H20C21 A3B4C20D21 -33.24 7.22 -9.71 -0.78 0
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1645 4816 1 O6C15H16 A6B15C16 -195.92 7.41 -10.41 -0.03 0
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1646 4817 1 OSN2C16H18 ABC2D16E18 0.6 1.11 -8.17 -0.61 0
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1647 4818 1 O3N4C14H14 A3B4C14D14 -32.4 2.63 -9.06 -1.07 0
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1648 4819 1 N2O2C11H16 A2B2C11D16 -70.16 1.96 -9.36 0.51 0
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1649 4820 1 ON2C17H24 AB2C17D24 -51.78 2.38 -8.87 0.32 0
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1650 4821 1 NO13C34H49 AB13C34D49 -534.73 4.06 -8.94 -0.85 0
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1651 4824 1 ClOF2N3C28H28 ABC2D3E28F28 -80.31 5.18 -8.72 -0.43 0
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1652 4828 2 NOC7H10 ABC7D10 -60.17 3.64 -8.32 0.03 0
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1653 4829 1 SN2O3C19H20 AB2C3D19E20 -89.2 3.87 -8.8 -0.78 0
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1654 4831 1 O3N5C14H17 A3B5C14D17 -77.18 10.64 -9.54 -1.22 0
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1655 4832 1 NO3C22H28 AB3C22D28 -64.91 3.31 0.0 0.0 1
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1656 4833 2 N2O2C19H19 A2B2C19D19 -91.22 4.17 -8.56 -2.06 0
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1657 4835 1 SN5O7C23H27 AB5C7D23E27 -249.44 5.7 -9.77 -0.82 0
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1658 4836 1 SN4O5C10H12 AB4C5D10E12 -113.7 5.08 -10.38 -0.88 0
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1659 4837 2 NC2H5 AB2C5 1.37 2.63 -8.92 2.84 0
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1660 4838 1 NSO3C5H11 ABC3D5E11 -137.75 4.33 -9.35 -0.02 0
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1661 4839 1 NO2C21H25 AB2C21D25 -55.43 0.59 -8.77 0.03 0
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1662 4840 1 NO3C17H19 AB3C17D19 -67.39 4.02 -8.85 -0.42 0
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1663 4841 1 NO3C23H30 AB3C23D30 -64.05 3.62 0.0 0.0 1
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1664 4842 2 BrNOC5H8 ABCD5E8 -99.11 0.35 -9.66 -0.38 0
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1665 4843 2 NOC3H5 ABC3D5 -96.29 3.62 -9.69 0.46 0
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1666 4846 1 N2O5H8C16 A2B5C8D16 -84.61 5.43 -9.36 -2.3 0
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1667 4847 1 FO2N3C23H24 AB2C3D23E24 -65.97 1.71 -8.62 -0.9 0
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1668 4849 1 SN2O5C17H18 AB2C5D17E18 -140.01 3.5 -9.14 -1.25 0
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1669 4850 2 ON2C8H9 AB2C8D9 7.57 1.21 -8.69 -0.08 0
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1670 4851 1 KNO4C25H32 ABC4D25E32 -194.3 8.99 -8.05 0.0 0
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1671 4852 1 NO4C25H33 AB4C25D33 -160.76 5.14 -8.47 -0.3 0
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1672 4853 1 ON2C22H30 AB2C22D30 -22.16 2.81 -8.72 0.04 0
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1673 4854 1 NC22H25 AB22C25 38.15 1.68 -8.74 0.19 0
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1674 4855 1 O3N4C14H16 A3B4C14D16 -88.4 13.0 -9.45 -1.06 0
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1675 4861 1 O7C21H24 A7B21C24 -277.1 5.93 -8.64 -0.78 0
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1676 4862 1 ClN6O12C36H45 AB6C12D36E45 -466.26 14.27 -9.18 -1.01 0
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1677 4864 1 N3O10C30H37 A3B10C30D37 -414.07 10.54 -9.57 -0.99 0
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1678 4865 2 O4C11H11 A4B11C11 -260.02 3.69 -8.74 -0.52 0
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1679 4868 1 O13N16C56H98 A13B16C56D98 -647.94 14.5 -9.42 -0.59 0
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1680 4869 1 N5O14C17H23 A5B14C17D23 -594.72 6.86 -10.03 -1.92 0
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1681 4870 1 ClF3N3S3O4C11H13 AB3C3D3E4F11G13 -295.1 6.12 -9.84 -1.08 0
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1682 4871 1 O6H24C25 A6B24C25 -198.93 5.33 -8.64 -0.96 0
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1683 4872 2 O2C11H15 A2B11C15 -191.54 6.0 -9.95 -0.42 0
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1684 4875 1 IK AB -30.02 11.24 -7.24 -0.1 0
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1685 4876 1 NO2H6C7 AB2C6D7 -1.04 17.27 0.0 0.0 -1
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1686 4877 1 N5C19H19 A5B19C19 92.66 2.24 -8.83 -0.71 0
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1687 4878 1 ClN5C15H16 AB5C15D16 65.08 1.06 -8.95 -0.65 0
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1688 4879 1 N5H9C11 A5B9C11 106.09 2.49 -8.85 -0.76 0
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1689 4880 1 PS2N3Na4H10O12C14 AB2C3D4E10F12G14 -744.27 15.87 -9.14 -1.8 0
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1690 4881 1 PS2N3O12C14H14 AB2C3D12E14F14 -464.41 10.86 -9.87 -1.79 0
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1691 4882 1 NO3H11C17 AB3C11D17 -36.32 4.93 -9.81 -1.85 0
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1692 4883 1 N2O3C14H22 A2B3C14D22 -126.75 4.56 -8.37 0.06 0
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1693 4884 1 ON2C7H9 AB2C7D9 33.41 2.15 0.0 0.0 1
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1694 4885 1 SN3C10H17 AB3C10D17 7.74 0.94 -8.59 -0.18 0
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1695 4886 1 NO3C17H27 AB3C17D27 -117.09 1.37 -8.11 0.2 0
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1696 4887 1 O4N5H23C27 A4B5C23D27 9.52 7.23 -8.91 -1.58 0
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1697 4888 1 NO3H13C15 AB3C13D15 -73.26 3.01 -9.13 -0.69 0
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1698 4892 1 O3N5C23H27 A3B5C23D27 -12.68 6.25 -8.29 -0.56 0
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1699 4894 1 O5C21H28 A5B21C28 -214.18 9.09 -9.84 -0.44 0
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1700 4895 1 O6C23H30 A6B23C30 -258.4 6.66 -9.72 -0.3 0
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1701 4901 1 O2C21H36 A2B21C36 -160.26 3.7 -10.04 2.82 0
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1702 4903 1 SO5C21H32 AB5C21D32 -249.35 7.23 -9.44 -0.76 0
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1703 4904 1 NOC20H25 ABC20D25 -15.56 3.64 -8.95 0.33 0
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1704 4906 1 ON2C13H20 AB2C13D20 -44.7 3.27 -8.74 0.1 0
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1705 4907 1 NO3C9H17 AB3C9D17 -137.59 4.33 -9.12 0.01 0
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1706 4909 2 NOC6H7 ABC6D7 -62.75 4.54 -9.78 -0.05 0
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1707 4910 1 NO2C23H31 AB2C23D31 -62.04 3.63 -8.85 0.13 0
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1708 4914 1 N2O2C13H20 A2B2C13D20 -79.22 4.3 -8.61 -0.32 0
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1709 4917 1 ClSN3C20H24 ABC3D20E24 39.05 2.9 -7.8 -0.41 0
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1710 4918 1 N8O8C29H46 A8B8C29D46 -355.4 7.09 -9.23 -0.2 0
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1711 4919 1 NOC19H29 ABC19D29 -55.68 1.56 -8.61 0.44 0
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1712 4920 1 O2C21H30 A2B21C30 -121.1 4.2 -9.82 -0.03 0
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1713 4922 2 NO2C9H13 AB2C9D13 -186.01 6.81 -9.78 -0.19 0