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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85400 49874771 1 ClN3O3C29H30 AB3C3D29E30 -4.65 6.53 -8.54 -0.96 0
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85401 49874775 1 BrClSO2N6H20C21 ABCD2E6F20G21 65.32 7.77 -9.34 -0.86 0
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85402 49874776 1 BrClSO2N6H18C20 ABCD2E6F18G20 49.3 4.77 -9.23 -1.12 0
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85403 49874796 1 ClS2N3O4H14C15 AB2C3D4E14F15 -88.05 6.74 -9.14 -1.39 0
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85404 49874797 1 N2O3H20C21 A2B3C20D21 -46.06 2.54 -8.68 -0.74 0
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85405 49874801 1 ClS2N3O4H14C19 AB2C3D4E14F19 -57.6 3.94 -9.31 -2.05 0
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85406 49874813 2 ClO4H8C10 AB4C8D10 -311.07 6.11 -9.77 -0.84 0
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85407 49874841 2 OC7H9 AB7C9 -78.16 2.13 -9.32 0.41 0
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85408 49874845 1 NC22H27 AB22C27 37.26 2.03 -8.53 0.28 0
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85409 49874871 1 OSN2C13H14 ABC2D13E14 20.3 2.13 -8.94 -0.14 0
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85410 49874873 1 ClNOSC14H20 ABCDE14F20 -66.49 1.0 -9.02 0.04 0
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85411 49874879 1 OS2N4C9H12 AB2C4D9E12 5.03 4.38 -8.54 -0.99 0
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85412 49874907 1 ClN4O4C26H27 AB4C4D26E27 -96.22 6.4 -8.75 -1.48 0
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85413 49874915 1 SN3O5C20H25 AB3C5D20E25 -163.32 6.14 -8.42 -0.88 0
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85414 49874938 1 S2O5C15H24 A2B5C15D24 -193.81 6.02 -8.14 -0.79 0
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85415 49874940 1 NS2O3C9H11 AB2C3D9E11 -97.26 5.33 -8.44 -0.89 0
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85416 49874941 1 NS2O3C8H9 AB2C3D8E9 -77.39 4.38 -8.68 -1.05 0
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85417 49874954 1 NO4C8H15 AB4C8D15 -169.98 4.03 -9.95 0.02 0
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85418 49874958 1 BrNSC4H6 ABCD4E6 1.62 1.32 -8.5 -0.06 0
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85419 49874967 2 S3H7C9 A3B7C9 115.86 0.88 -8.76 -1.29 0
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85420 49874973 1 ClN2O2S2H9C14 AB2C2D2E9F14 26.54 3.33 -8.9 -1.82 0
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85421 49874978 1 NOC10H13 ABC10D13 -25.56 3.1 -10.08 -0.48 0
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85422 49874992 1 ClHSO3C6 ABCD3E6 -65.95 5.69 -10.34 -2.37 0
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85423 49874993 1 ClNS2O4H8C9 ABC2D4E8F9 -114.44 4.12 -10.12 -1.92 0
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85424 49875015 1 SCl2N3O3C18H19 AB2C3D3E18F19 -107.04 3.14 -9.02 -0.95 0