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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1714 4926 1 SN2C17H20 AB2C17D20 49.31 3.47 -7.65 -0.1 0
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1715 4927 1 SN2C17H20 AB2C17D20 48.74 2.68 -7.72 -0.2 0
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1716 4928 1 ON5C10H19 AB5C10D19 -26.27 3.48 -9.25 0.37 0
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1717 4930 1 NOC15H19 ABC15D19 -20.86 3.32 -8.8 -0.38 0
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1718 4934 1 NO3C23H30 AB3C23D30 -80.06 1.83 0.0 0.0 1
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1719 4938 1 O3N4C15H22 A3B4C15D22 -118.62 6.66 -9.24 -0.69 0
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1720 4940 1 OSN2C20H24 ABC2D20E24 4.19 1.66 -7.85 -0.72 0
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1721 4941 1 O4N6C21H40 A4B6C21D40 -213.03 3.79 -9.12 -0.12 0
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1722 4942 1 NO3C23H29 AB3C23D29 -90.61 2.04 -8.83 0.01 0
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1723 4943 1 OC12H18 AB12C18 -57.61 1.44 -8.73 0.37 0
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1724 4945 1 NOC19H25 ABC19D25 -14.69 4.28 -8.95 0.56 0
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1725 4946 1 NO2C16H21 AB2C16D21 -61.74 1.54 -8.51 -0.3 0
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1726 4950 1 OSN2C7H10 ABC2D7E10 -25.01 7.63 -9.82 -0.91 0
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1727 4951 2 O4C15H21 A4B15C21 -365.52 4.94 -9.34 -0.63 0
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1728 4953 2 O2C10H15 A2B10C15 -172.68 7.3 -10.13 -0.5 0
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1729 4954 4 OC5H8 AB5C8 -203.77 6.68 -9.5 -0.64 0
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1730 4955 2 O2C10H15 A2B10C15 -186.53 6.65 -9.64 -0.73 0
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1731 4956 1 O5C20H32 A5B20C32 -242.79 4.12 -10.04 0.3 0
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1732 4959 1 O5C21H33 A5B21C33 -235.3 5.99 0.0 0.0 -1
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1733 4960 1 O5C21H34 A5B21C34 -256.63 5.58 -8.96 0.44 0
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1734 4961 2 O2C10H15 A2B10C15 -175.68 3.27 -9.92 -0.4 0
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1735 4962 2 O3C11H15 A3B11C15 -248.35 5.1 -9.84 -0.4 0
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1736 4963 1 O2S2N4C15H24 A2B2C4D15E24 -71.83 2.79 -9.17 -1.46 0
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1737 4964 1 BrO2H7C8 AB2C7D8 -56.71 2.86 -9.63 -1.01 0
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1738 4965 1 BrO2C9H9 AB2C9D9 -53.01 3.74 -9.36 -0.88 0
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1739 4966 1 BrO4H9C10 AB4C9D10 -131.85 2.73 -10.01 -1.27 0
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1740 4967 1 SN2C9H12 AB2C9D12 36.17 2.2 -9.4 -0.7 0
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1741 4968 1 N5O5C16H21 A5B5C16D21 -196.85 3.23 -9.64 -0.46 0
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1742 4969 1 NO5C18H21 AB5C18D21 -164.01 2.69 -8.74 -0.13 0
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1743 4971 2 N2O2C17H17 A2B2C17D17 -25.87 6.44 -7.85 -1.6 0
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1744 4972 1 CoN4O4H32C34 AB4C4D32E34 61.75 35.25 0.0 0.0 0
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1745 4974 1 NO14C41H63 AB14C41D63 -698.41 5.38 -8.58 0.16 0
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1746 4975 1 NO15C41H63 AB15C41D63 -732.53 1.82 -8.76 0.37 0
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1747 4976 1 NC19H21 AB19C21 50.27 1.93 -8.73 -0.22 0
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1748 4978 1 O9H16C30 A9B16C30 -309.58 3.8 -8.6 -2.48 0
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1749 4979 2 O3H6C8 A3B6C8 -164.98 5.27 -8.3 -1.34 0
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1750 4984 1 O5N7C22H29 A5B7C22D29 -128.97 3.54 -8.62 -0.51 0
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1751 4985 1 O5H8C11 A5B8C11 -98.76 8.02 -8.52 -1.8 0
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1752 4988 1 O3C21H28 A3B21C28 -54.71 9.17 -8.06 -1.64 0
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1753 4989 1 SN2C11H14 AB2C11D14 56.16 3.17 -8.74 -0.61 0
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1754 4991 1 N2O2C9H13 A2B2C9D13 -51.0 1.05 0.0 0.0 1
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1755 4992 1 ON3C17H23 AB3C17D23 15.34 2.36 -8.27 0.19 0
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1756 4993 1 ClN4C12H13 AB4C12D13 34.72 1.55 -8.96 -0.22 0
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1757 5001 1 O11H20C21 A11B20C21 -392.18 6.6 -9.06 -1.89 0
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1758 5002 1 SO2N3C21H25 AB2C3D21E25 -10.84 3.4 -8.61 -0.7 0
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1759 5005 1 N2O5C25H30 A2B5C25D30 -185.33 7.76 -9.63 -0.34 0
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1761 5008 1 NO2C21H26 AB2C21D26 -49.14 4.13 0.0 0.0 1
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1762 5009 1 NO2C21H25 AB2C21D25 -40.31 4.94 -8.64 -0.63 0
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1763 5010 1 N2O4C23H28 A2B4C23D28 -114.83 5.26 -8.76 -0.74 0
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1764 5012 1 O2N4C13H14 A2B4C13D14 46.64 7.34 -9.0 -1.46 0