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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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302937 124403726 1 ClNOH22C25 ABCD22E25 38.34 3.09 -8.25 -0.3 0
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302938 124403727 1 N2O3H22C25 A2B3C22D25 42.99 6.0 -8.34 -1.44 0
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302939 124403747 1 NO2H27C31 AB2C27D31 20.81 5.07 -8.52 -0.61 0
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302940 124403764 1 BrNO2H20C21 ABC2D20E21 -13.39 1.84 -8.28 -0.17 0
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302941 124403767 1 NO3C24H25 AB3C24D25 -57.68 3.89 -8.55 -0.29 0
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302942 124403774 1 NCl2H17C19 AB2C17D19 36.01 2.08 -8.28 -0.43 0
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302943 124403777 1 NO2H19C20 AB2C19D20 -11.92 1.02 -8.1 -0.09 0
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302944 124403790 1 BrNO4H20C22 ABC4D20E22 -93.71 3.59 -8.69 -0.62 0
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302945 124403793 1 ClNO3H26C28 ABC3D26E28 -56.85 2.17 -8.6 -0.42 0
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302946 124403813 1 ON2C23H30 AB2C23D30 -25.51 4.26 -8.8 -0.12 0
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302947 124403816 1 N2O3C26H36 A2B3C26D36 -109.62 3.91 -8.17 -0.04 0
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302948 124403831 1 SN2O4C23H30 AB2C4D23E30 -151.92 7.39 -8.99 -0.56 0
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302949 124403834 1 ON2C24H32 AB2C24D32 -33.79 5.0 -8.8 -0.1 0
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302950 124403843 1 FN2O2C21H25 AB2C2D21E25 -90.01 6.34 -8.98 -0.07 0
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302951 124403852 1 ClSN2O4C21H25 ABC2D4E21F25 -143.2 7.32 -8.98 -0.52 0
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302952 124403861 1 SN3O3C24H33 AB3C3D24E33 -112.09 1.76 -7.93 -0.11 0
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302953 124488999 1 BrOC11H15 ABC11D15 -45.48 3.35 -9.4 -0.08 0
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302954 124489000 1 ClOC12H15 ABC12D15 -55.11 2.41 -9.49 -0.13 0
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302955 124489012 1 OC9H16 AB9C16 -38.21 2.7 -10.41 1.85 0
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302956 124489013 1 OC9H16 AB9C16 -38.04 1.44 -10.38 1.71 0
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302957 124489016 1 ClC14H19 AB14C19 -22.3 2.48 -9.1 0.44 0
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302958 124489017 1 ClC14H19 AB14C19 -22.39 2.46 -9.12 0.41 0
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302959 124489024 1 BrF2C11H11 AB2C11D11 -91.43 3.47 -10.02 -0.34 0
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302960 124489025 1 BrF2C11H11 AB2C11D11 -91.07 0.76 -10.16 -0.45 0
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302961 124489033 1 OSN6H16C18 ABC6D16E18 87.98 6.23 -9.11 -1.48 0