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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41403 8145818 1 ClSN5C21H25 ABC5D21E25 106.61 6.31 0.0 0.0 0
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41404 8145819 1 ClSN5C21H24 ABC5D21E24 89.51 6.66 -8.38 -0.58 1
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41405 8145821 1 ClOSN4C20H22 ABCD4E20F22 70.96 6.76 0.0 0.0 0
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41406 8145822 1 ClOSN4C20H21 ABCD4E20F21 55.48 2.3 -8.64 -0.51 0
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41407 8145823 1 ClN3O3C18H18 AB3C3D18E18 -75.73 6.93 -9.07 -0.57 1
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41408 8145829 1 ClSN5C17H23 ABC5D17E23 101.12 6.45 0.0 0.0 0
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41409 8145830 1 ClSN5C17H22 ABC5D17E22 87.83 6.65 -8.35 -0.17 1
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41410 8145832 1 ClFSN5C20H22 ABCD5E20F22 66.56 7.38 0.0 0.0 0
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41411 8145833 1 ClFSN5C20H21 ABCD5E20F21 53.46 7.31 -8.37 -0.9 1
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41412 8145835 1 ClSN5C21H25 ABC5D21E25 103.58 6.75 0.0 0.0 0
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41413 8145837 1 ClOSN6H13C17 ABCD6E13F17 100.0 3.44 -9.31 -1.47 1
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41414 8145839 1 ClS2N4C14H18 AB2C4D14E18 84.99 9.64 0.0 0.0 0
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41415 8145845 1 ClOSN6H13C17 ABCD6E13F17 99.77 4.01 -9.27 -1.48 1
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41416 8145846 1 ClSN5C21H25 ABC5D21E25 101.97 5.36 0.0 0.0 0
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41417 8145848 1 O3N4C15H20 A3B4C15D20 -101.67 3.62 -8.92 -0.33 0
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41418 8145849 1 OSN4C22H28 ABC4D22E28 46.17 6.32 -8.68 -0.33 1
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41419 8145850 1 ClSN5C20H23 ABC5D20E23 108.84 10.92 0.0 0.0 1
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41420 8145852 1 ClO3N4C16H20 AB3C4D16E20 -76.37 11.29 0.0 0.0 0
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41421 8145854 1 N3O3C21H25 A3B3C21D25 -75.94 3.24 -8.75 -0.47 1
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41422 8145855 1 ClO3N4C18H24 AB3C4D18E24 -94.1 3.46 0.0 0.0 0
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41423 8145856 1 ClO3N4C18H23 AB3C4D18E23 -100.37 4.45 -8.54 -1.28 0
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41424 8145857 1 OSN4C22H28 ABC4D22E28 41.86 6.04 -8.74 -0.42 1
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41425 8145859 1 ClOSN5C20H23 ABCD5E20F23 63.81 2.49 0.0 0.0 1
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41426 8145861 1 ClO3N4C18H24 AB3C4D18E24 -93.79 2.08 0.0 0.0 0
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41427 8145862 1 ClO3N4C18H23 AB3C4D18E23 -96.58 4.45 -8.65 -1.2 1
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41428 8145866 1 ClO3N4C19H24 AB3C4D19E24 -90.86 4.03 0.0 0.0 0
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41429 8145867 1 ClO3N4C19H23 AB3C4D19E23 -94.72 3.55 -8.57 -1.3 1
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41430 8145868 1 ClO3N4C15H18 AB3C4D15E18 -76.33 4.0 0.0 0.0 0
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41431 8145869 1 ClO3N4C15H17 AB3C4D15E17 -81.84 1.18 -8.61 -1.33 0
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41432 8145870 1 O3N4C19H28 A3B4C19D28 -111.41 2.34 -8.75 -0.37 1
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41433 8145871 1 ClSN5C21H25 ABC5D21E25 99.18 5.91 0.0 0.0 0
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41434 8145872 1 ClSN5C21H24 ABC5D21E24 83.32 6.26 -8.41 -0.44 0
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41435 8145873 2 N2O2C10H11 A2B2C10D11 -105.77 5.52 -8.43 -0.44 1
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41436 8145874 1 O2N5C17H26 A2B5C17D26 -43.14 15.23 0.0 0.0 0
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41437 8145882 1 O3N4C20H22 A3B4C20D22 -73.08 8.34 -8.14 -0.52 1
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41438 8145886 1 ClO3N4C21H28 AB3C4D21E28 -96.92 9.3 0.0 0.0 0
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41439 8145887 1 ClO3N4C21H27 AB3C4D21E27 -110.44 0.81 -8.63 -1.21 1
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41440 8145891 1 ClO3N4C21H28 AB3C4D21E28 -94.04 11.06 0.0 0.0 0
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41441 8145892 1 ClO3N4C21H27 AB3C4D21E27 -54.65 3.96 -8.38 -1.25 1
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41442 8145893 1 ClO3N4C21H28 AB3C4D21E28 -93.04 11.29 0.0 0.0 0
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41443 8145894 1 ClO3N4C21H27 AB3C4D21E27 -106.51 4.11 -8.6 -1.2 1
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41444 8145895 1 ClSN5C21H25 ABC5D21E25 99.53 2.15 0.0 0.0 1
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41445 8145899 1 ClO2N5C18H19 AB2C5D18E19 95.96 5.78 0.0 0.0 0
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41446 8145900 1 ClO2N5C18H18 AB2C5D18E18 80.47 3.86 -8.69 -1.56 2
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41447 8145901 1 N4O4C19H28 A4B4C19D28 -121.05 4.81 -8.54 -0.15 0
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41448 8145902 1 N4O4C19H26 A4B4C19D26 -128.17 1.14 -8.71 0.02 0
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41449 8145903 1 O2N3H21C25 A2B3C21D25 33.84 2.25 -8.55 -1.24 0
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41450 8145907 1 O2N3C17H17 A2B3C17D17 -2.9 2.5 -9.51 -0.54 2
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41451 8145908 1 N2O5C20H24 A2B5C20D24 -45.01 2.38 -4.3 -0.43 0
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41452 8145909 1 N2O5C20H22 A2B5C20D22 -120.09 2.72 -8.51 -0.21 2