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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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427716 135161638 2 N2O2H13C14 A2B2C13D14 -34.32 6.22 -9.36 -0.76 0
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427717 135161667 2 NO2C9H9 AB2C9D9 -88.27 3.48 -8.99 -0.37 0
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427718 135161671 1 F2C11H22 A2B11C22 -155.18 3.2 -10.88 3.18 1
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427719 135161685 1 SN2O9C39H49 AB2C9D39E49 -341.92 12.42 0.0 0.0 0
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427720 135161692 1 NSO4C13H17 ABC4D13E17 -126.5 7.87 -8.77 -0.41 1
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427721 135161695 1 PSN2O9C36H48 ABC2D9E36F48 -352.52 7.48 0.0 0.0 0
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427722 135161717 1 ClNO2C15H22 ABC2D15E22 -79.05 1.85 -9.64 0.28 0
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427723 135161722 1 NSO5C14H19 ABC5D14E19 -172.45 4.62 -9.89 -0.8 0
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427724 135161727 1 ON2C13H26 AB2C13D26 -63.92 2.44 -9.38 1.43 0
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427725 135161728 1 ClNSO2C13H20 ABCD2E13F20 -123.83 5.94 -8.62 0.02 0
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427726 135161729 1 ClSO2C14H21 ABC2D14E21 -117.44 4.63 -8.53 0.19 0
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427727 135161730 1 O3F6H12C17 A3B6C12D17 -371.93 5.74 -9.61 -1.36 0
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427728 135161731 1 NSO2C10H15 ABC2D10E15 -73.63 5.22 -8.81 -0.09 0
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427729 135161732 1 ClSN2O2C12H23 ABC2D2E12F23 -127.05 6.4 -8.08 0.23 0
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427730 135161733 1 ClNSO3C12H18 ABCD3E12F18 -116.98 5.21 -8.86 -0.36 0
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427731 135161768 1 O2N4C19H32 A2B4C19D32 -80.59 6.42 -8.56 0.45 0
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427732 135161782 1 N5C10H21 A5B10C21 57.55 3.19 -8.41 0.98 0
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427733 135161786 1 N4C11H20 A4B11C20 40.14 2.39 -8.41 -0.21 0
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427734 135161787 1 O2N5C17H31 A2B5C17D31 -73.58 2.04 -8.82 0.85 0
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427735 135161825 1 F2N3O3C20H33 A2B3C3D20E33 -255.07 1.82 -8.88 0.91 0
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427736 135161858 1 N3O4C22H39 A3B4C22D39 -198.5 4.63 -9.04 0.84 0
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427737 135161859 1 ClNSO3C19H28 ABCD3E19F28 -122.9 6.52 -8.62 0.02 0
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427738 135161860 1 N3O4C19H31 A3B4C19D31 -197.48 3.52 -8.59 -0.09 0
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427739 135161861 1 NO3C10H17 AB3C10D17 -133.03 3.59 -9.31 0.57 0
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427740 135161862 1 N2O2C13H26 A2B2C13D26 -107.99 4.1 -8.9 1.22 0