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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397798 135030742 1 O18H37C40 A18B37C40 -638.49 5.35 0.0 0.0 0
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397799 135030743 1 BrNH24C33 ABC24D33 150.84 1.26 -8.1 -0.16 0
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397800 135030744 1 ClNH24C33 ABC24D33 137.43 3.69 -8.32 -0.25 0
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397801 135030746 1 NOH27C34 ABC27D34 132.53 0.64 -8.14 -0.06 0
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397802 135030747 1 BrNH26C34 ABC26D34 164.51 3.44 -8.25 -0.08 0
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397803 135030749 1 BrNH26C34 ABC26D34 163.96 3.64 -8.16 -0.07 0
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397804 135030753 1 BrNOH18C23 ABCD18E23 64.02 2.35 -8.7 -0.62 0
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397805 135030755 1 O7C19H28 A7B19C28 -285.71 4.01 -9.4 -0.02 0
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397806 135030757 1 O6C19H26 A6B19C26 -233.23 3.91 -8.38 -0.06 0
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397807 135030758 1 O6C21H26 A6B21C26 -213.43 6.02 -8.18 -0.29 0
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397808 135030763 2 O3C9H10 A3B9C10 -221.39 4.85 -9.74 -0.02 0
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397809 135030764 1 O3Cl6C11H12 A3B6C11D12 -144.14 4.35 -10.48 -0.93 0
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397810 135030772 1 O2N3H15C16 A2B3C15D16 5.2 5.54 -8.5 -0.28 0
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397811 135030773 1 FON3H12C15 ABC3D12E15 -2.31 4.44 -9.04 -0.62 0
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397812 135030774 1 N3O3H17C18 A3B3C17D18 -48.96 3.1 -9.2 -0.81 0
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397813 135030775 1 O2N3H15C16 A2B3C15D16 3.41 4.91 -8.79 -0.4 0
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397814 135030776 1 ON4H12C16 AB4C12D16 76.76 2.44 -9.14 -1.16 0
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397815 135030777 1 N2O5C13H18 A2B5C13D18 -121.52 3.35 -8.53 -0.65 0
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397816 135030784 2 OC10H12 AB10C12 -47.29 3.44 -8.62 -0.46 0
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397817 135030785 1 ClOC21H23 ABC21D23 -17.3 2.6 -9.27 -0.18 0
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397818 135030786 1 O2C21H22 A2B21C22 -27.38 2.82 -8.86 -0.16 0
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397819 135030787 1 ClOC19H21 ABC19D21 -20.14 3.85 -9.36 -0.08 0
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397820 135030788 1 OC26H26 AB26C26 28.69 3.02 -8.75 -0.48 0
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397821 135030793 1 ClO5N6C19H27 AB5C6D19E27 -190.06 7.78 -9.45 -1.08 0
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397824 135030798 1 NOH21C24 ABC21D24 71.11 2.52 -8.38 -0.63 0
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397825 135030799 1 NOH19C23 ABC19D23 65.5 1.96 -8.58 -0.57 0
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397827 135030801 1 ClOC8H13 ABC8D13 -71.88 3.0 -9.78 0.77 0
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397828 135030802 1 O6C23H26 A6B23C26 -198.85 7.74 -8.4 -0.78 0
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397829 135030803 1 O6C23H26 A6B23C26 -194.98 9.89 -8.42 -0.94 0
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397830 135030804 1 ClO6C23H27 AB6C23D27 -207.33 6.4 -8.17 -0.3 0
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397831 135030805 1 O3C11H11 A3B11C11 -70.47 3.47 0.0 0.0 0
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397832 135030818 1 Cl2O3C10H12 A2B3C10D12 -111.84 3.87 -9.48 -1.46 0
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397833 135030819 1 BrClSO2H12C17 ABCD2E12F17 -30.74 2.02 -8.89 -1.42 0
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397834 135030820 1 ClNSO4H12C17 ABCD4E12F17 -37.25 6.37 -9.09 -1.61 -2
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397835 135030821 1 CuIN4H12C13 ABC4D12E13 277.27 3.53 -8.11 -1.51 -2
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397836 135030822 1 HN3 AB3 74.11 2.61 -10.6 -0.16 0
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397837 135030823 1 O3H14C24 A3B14C24 11.96 6.01 -9.52 -1.35 0
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397839 135030825 1 FNO3C19H20 ABC3D19E20 -111.94 3.12 -8.74 -0.35 0
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397840 135030826 1 NC21H23 AB21C23 33.91 2.87 -8.9 -0.52 0
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397841 135030828 1 N2O2H16C19 A2B2C16D19 3.81 2.0 -9.35 -0.64 0
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397842 135030829 1 ON4H14C16 AB4C14D16 55.26 2.03 -9.09 -0.4 0
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397843 135030832 1 ON2H14C19 AB2C14D19 39.63 2.83 -8.79 -0.32 0
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397844 135030833 1 NOSH15C24 ABCD15E24 77.39 1.08 -8.62 -1.0 0
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397845 135030834 1 N2H16C21 A2B16C21 98.35 1.29 -9.07 -0.54 0
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397846 135030835 1 SiO4C32H42 AB4C32D42 -161.51 3.5 -9.04 -0.03 0
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397847 135030836 1 SiO6C37H50 AB6C37D50 -259.44 2.65 -8.93 -0.08 0
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397848 135030837 1 NOH17C18 ABC17D18 35.65 3.47 -9.3 -0.32 0
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397849 135030839 1 ON4H20C31 AB4C20D31 189.0 8.44 -9.65 -0.6 0
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397850 135030840 1 ON4H28C31 AB4C28D31 129.85 10.39 -10.22 -1.14 0
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397851 135030841 1 ON4H26C29 AB4C26D29 130.49 7.06 -10.02 -0.56 0