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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84017 49863325 1 NO3C15H25 AB3C15D25 -171.28 1.52 -10.1 -0.56 0
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84018 49863326 1 NO4C10H15 AB4C10D15 -163.46 8.15 -9.7 -0.6 0
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84019 49863327 1 OSN2H12C15 ABC2D12E15 52.98 3.4 -8.17 -0.5 0
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84020 49863333 1 ClNO2H12C15 ABC2D12E15 -25.25 3.38 -8.58 -1.5 0
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84021 49863334 1 NCl2O3H15C22 AB2C3D15E22 -45.36 2.57 -8.56 -1.5 1
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84022 49863364 1 N2P6C17O31H39 A2B6C17D31E39 -1701.53 6.16 0.0 0.0 0
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84024 49863390 1 S2O23N31C89H145 A2B23C31D89E145 -924.41 34.14 -8.45 -0.78 0
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84025 49863415 1 S3O32N44C130H214 A3B32C44D130E214 -1460.23 25.41 -8.28 -0.53 0
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84026 49863426 2 ON3C16H16 AB3C16D16 52.23 1.68 -7.66 -0.9 0
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84027 49863428 1 SN3C9H11 AB3C9D11 44.95 2.81 -8.02 -0.21 0
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84028 49863429 1 SN3C11H15 AB3C11D15 31.77 1.76 -7.89 -0.13 0
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84029 49863438 1 NO7C33H53 AB7C33D53 -263.41 4.12 -10.04 -0.58 0
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84030 49863461 1 Cl2N10O27H80C81 A2B10C27D80E81 -804.37 7.97 -9.06 -1.49 0
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84031 49863462 1 Cl2N8O23C59H62 A2B8C23D59E62 -865.44 5.77 -9.42 -1.6 0
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84032 49863482 1 ON4C30H36 AB4C30D36 29.23 3.83 -8.11 0.23 0
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84033 49863508 1 O2N3C13H13 A2B3C13D13 -21.35 8.47 -9.53 -0.69 0
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84034 49863519 3 ON2C4H4 AB2C4D4 41.02 5.42 -9.47 -1.79 0
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84035 49863520 3 ON2C4H4 AB2C4D4 41.29 6.37 -9.77 -1.18 0
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84036 49863538 1 S6N16O30C59H114 A6B16C30D59E114 -1406.79 8.46 -9.02 -0.56 0
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84037 49863606 1 OSN3C13H15 ABC3D13E15 36.62 2.41 -8.42 -0.4 0
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84038 49863660 1 SO2C11H18 AB2C11D18 -106.67 1.43 -9.0 -0.4 0
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84039 49863666 1 ON2H14C15 AB2C14D15 18.76 4.97 -7.97 -0.86 0
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84040 49863695 1 ON5C29H33 AB5C29D33 46.59 3.63 -8.05 -0.58 0
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84041 49863696 1 ClNSO5C20H26 ABCD5E20F26 -199.55 2.85 -9.3 -1.22 0
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84042 49863722 1 N9O12C49H67 A9B12C49D67 -532.01 9.41 -8.69 -0.25 0