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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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165942 74617752 1 N2O3C22H26 A2B3C22D26 -89.6 6.14 -8.99 -0.78 0
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165943 74617753 1 ClN3O5C23H28 AB3C5D23E28 -162.43 4.35 -8.66 -0.67 0
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165944 74617754 1 SN4O6C23H28 AB4C6D23E28 -153.01 10.51 -8.83 -1.21 0
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165945 74617755 1 N3O5C27H29 A3B5C27D29 -125.84 5.48 -8.71 -0.47 0
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165946 74617756 1 N4O5C17H20 A4B5C17D20 -93.43 6.91 -8.77 -1.6 0
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165947 74617757 1 N2F4O4C17H20 A2B4C4D17E20 -369.54 4.34 -9.52 -1.2 0
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165948 74617758 1 N2O3C21H28 A2B3C21D28 -114.69 1.76 -8.88 -0.61 0
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165949 74617759 1 ClO2N4C17H27 AB2C4D17E27 -90.12 1.02 -9.14 -0.4 0
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165950 74618078 1 N2O7C28H38 A2B7C28D38 -241.26 4.62 -8.52 -0.8 0
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165951 74618597 1 SN3O4H17C22 AB3C4D17E22 2.53 5.05 -9.52 -3.09 0
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165952 74618655 1 BrN2O7H17C19 AB2C7D17E19 -136.49 5.15 -8.35 -1.2 0
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165953 74618849 1 ClN3O4C20H28 AB3C4D20E28 -196.78 3.9 -9.64 -1.04 0
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165954 74618850 1 ClN4O4C26H29 AB4C4D26E29 -143.43 6.65 -8.67 -0.79 0
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165955 74618851 1 FN3O4C20H28 AB3C4D20E28 -235.55 4.25 -9.57 -0.86 0
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165956 74618879 1 F2O2N3C16H17 A2B2C3D16E17 -108.59 5.77 -9.31 -0.6 0
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165957 74619017 1 N2O3C22H34 A2B3C22D34 -152.72 8.56 -9.61 -0.36 0
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165958 74619402 1 SO3N5C16H23 AB3C5D16E23 -112.54 1.64 -9.17 -0.48 0
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165959 74619572 1 O4N5C14H17 A4B5C14D17 -68.11 3.58 -9.81 -1.87 0
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165960 74619573 1 F2N3O6H15C21 A2B3C6D15E21 -171.39 4.48 -9.28 -1.63 0
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165961 74619677 1 N3O3C23H27 A3B3C23D27 -89.04 4.45 -9.03 -0.88 0
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165962 74619678 1 SN3O4C19H19 AB3C4D19E19 -77.64 2.27 -9.06 -2.12 0
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165963 74619873 1 SN2O6C25H30 AB2C6D25E30 -195.17 6.01 -8.84 -1.03 0
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165964 74620000 1 O3N5C12H17 A3B5C12D17 -94.89 3.23 -9.6 -0.28 0
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165965 74620001 1 N3O4C24H27 A3B4C24D27 -74.71 4.53 -8.99 -0.55 0
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165966 74620002 2 NOC11H13 ABC11D13 -49.56 0.45 -8.79 -0.62 1