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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149102 53788774 1 O2N3C10H11 A2B3C10D11 22.04 4.17 -9.1 -0.82 0
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149103 53788775 1 PSN2O3C16H19 ABC2D3E16F19 -95.51 2.88 -9.0 -0.65 0
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149104 53788776 1 Cl2N3O3H19C20 A2B3C3D19E20 -79.5 3.71 -9.54 -1.07 0
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149105 53788777 2 F2O3C17H22 A2B3C17D22 -475.63 8.45 -10.07 -1.29 1
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149106 53788778 1 N2O4H17C19 A2B4C17D19 -84.94 13.18 0.0 0.0 0
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149107 53788779 1 NO5C19H19 AB5C19D19 -131.4 2.28 -9.57 -0.62 0
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149108 53788780 2 O2C11H17 A2B11C17 -218.89 4.31 -9.49 0.24 0
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149109 53788781 1 O4C15H28 A4B15C28 -193.81 5.49 -9.64 0.51 0
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149110 53788782 2 ON2C10H10 AB2C10D10 56.53 2.05 -7.53 -0.89 0
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149111 53788783 1 O2N4H18C23 A2B4C18D23 52.87 4.78 -9.56 -1.44 0
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149112 53788784 1 ON3C18H27 AB3C18D27 -60.08 4.19 -8.52 0.3 0
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149113 53788785 1 N3O3C31H43 A3B3C31D43 -112.1 7.86 -8.21 -0.3 0
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149114 53788786 1 NO2C15H23 AB2C15D23 -77.42 2.12 -7.98 0.39 0
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149115 53788787 1 ClN7C12H16 AB7C12D16 92.35 2.85 -9.41 -1.03 0
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149116 53788788 1 BrC15H23 AB15C23 -30.03 2.51 -8.95 0.25 0
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149117 53788789 1 SN3O5C14H17 AB3C5D14E17 -109.85 4.0 -9.54 -0.94 0
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149118 53788790 2 NOC11H15 ABC11D15 -44.52 2.74 -8.88 -0.78 0
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149119 53788791 2 C7H9 A7B9 43.42 0.9 -9.19 0.39 0
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149120 53788792 1 ClO4N8C31H41 AB4C8D31E41 -88.08 6.1 -8.18 -0.85 0
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149121 53788793 1 NF4C24H29 AB4C24D29 -204.34 7.08 -9.7 -1.06 0
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149122 53788794 1 NSO2C7H11 ABC2D7E11 -75.89 2.74 -9.31 -0.1 0
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149123 53788795 1 N5O5C25H27 A5B5C25D27 -106.06 4.02 -8.2 -0.49 0
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149124 53788796 1 O7C48H78 A7B48C78 -446.61 4.54 -10.1 0.67 0
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149125 53788797 1 ClNO2H10C14 ABC2D10E14 -18.21 5.81 -9.42 -1.38 0
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149126 53788798 1 IN2O3C14H15 AB2C3D14E15 -71.32 3.33 -9.61 -1.04 0