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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149454 53789127 1 N3O3C22H35 A3B3C22D35 -148.1 4.46 -8.83 -0.1 0
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149455 53789128 1 ClFNO3H5C10 ABCD3E5F10 -63.82 6.14 -9.78 -1.15 0
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149456 53789129 2 Br2C3H4 A2B3C4 -14.36 4.22 -10.34 -1.24 0
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149457 53789130 1 NO4C23H23 AB4C23D23 -46.53 4.5 -8.72 -1.09 0
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149458 53789131 1 ClN2O2H19C20 AB2C2D19E20 -34.76 4.76 -8.36 -0.59 0
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149459 53789132 1 PO6C23H31 AB6C23D31 -318.11 3.25 -8.78 -0.41 0
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149460 53789133 1 SN2O4H12C14 AB2C4D12E14 -109.83 1.73 -10.27 -1.12 0
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149461 53789134 1 BrSN2O3C24H25 ABC2D3E24F25 -64.06 2.08 -8.45 -0.94 0
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149462 53789135 1 SF3C12H13 AB3C12D13 -144.84 2.64 -8.69 -0.21 0
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149463 53789136 2 O4C17H22 A4B17C22 -332.42 4.6 -9.68 -0.52 0
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149464 53789137 1 O3C10H16 A3B10C16 -141.96 3.41 -10.08 -0.16 0
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149465 53789138 1 O5C24H28 A5B24C28 -187.99 5.32 -9.76 -0.18 0
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149466 53789139 1 N2O3C21H24 A2B3C21D24 -35.95 3.07 -9.01 -0.55 0
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149467 53789140 2 NC11H12 AB11C12 64.65 0.68 -8.66 -0.37 0
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149468 53789141 1 SN3O7C36H41 AB3C7D36E41 -183.17 6.79 -8.6 -0.95 0
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149469 53789142 2 SN3O3H5C7 AB3C3D5E7 -37.14 9.4 -9.24 -1.48 0
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149470 53789143 1 ClOS2H9C15 ABC2D9E15 31.61 5.92 -8.96 -1.82 1
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149471 53789144 1 SN3O7C21H34 AB3C7D21E34 -157.16 5.05 0.0 0.0 0
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149472 53789145 1 OSN3C22H29 ABC3D22E29 -19.48 5.0 -8.44 -0.13 0
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149473 53789146 20 CH AB 77.36 0.28 -9.12 -0.11 0
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149474 53789147 1 Cl2N3O3C21H23 A2B3C3D21E23 -96.94 0.84 -8.74 -0.95 0
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149475 53789148 1 OC11H18 AB11C18 -42.73 4.77 -9.35 -0.15 0
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149476 53789149 1 ClNOSC21H22 ABCDE21F22 -23.31 2.45 -9.14 -0.64 0
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149477 53789150 1 NO2C11H21 AB2C11D21 -106.88 2.41 -9.59 -0.07 0
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149478 53789151 1 SN2O4H14C18 AB2C4D14E18 -77.71 2.76 -10.08 -2.03 0