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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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292500 115001658 1 NOC13H29 ABC13D29 -94.95 1.76 -8.85 2.24 0
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292501 115001660 1 NOC13H29 ABC13D29 -98.22 2.66 -9.22 2.25 0
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292502 115001663 1 NOC13H29 ABC13D29 -98.58 2.26 -8.55 2.42 0
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292503 115001664 1 NOC13H29 ABC13D29 -93.34 1.79 -8.83 2.55 0
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292504 115001665 1 NOC13H29 ABC13D29 -94.21 1.32 -8.79 2.14 0
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292505 115001666 1 NOC13H29 ABC13D29 -92.46 2.13 -8.64 2.17 0
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292506 115001670 1 NOC13H29 ABC13D29 -94.96 2.58 -8.66 2.22 0
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292507 115001673 1 NOC13H29 ABC13D29 -92.77 2.66 -8.73 2.26 0
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292508 115001677 1 F3O3C8H15 A3B3C8D15 -310.94 4.06 -9.98 0.96 0
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292509 115001682 1 O4C11H20 A4B11C20 -203.14 3.04 -9.69 0.74 0
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292510 115001685 1 O4C11H20 A4B11C20 -199.55 1.06 -9.71 0.64 0
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292511 115001689 1 N2O3C10H20 A2B3C10D20 -107.39 1.54 -9.12 0.71 0
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292512 115001697 1 ON2C13H16 AB2C13D16 -8.24 2.15 -8.78 -0.12 0
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292513 115001705 3 OC4H8 AB4C8 -180.62 1.42 -9.93 0.8 0
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292514 115001706 3 OC4H8 AB4C8 -180.07 0.4 -9.85 0.89 0
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292515 115033635 2 N2C6H11 A2B6C11 12.7 3.63 -8.84 1.09 0
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292516 115144607 1 FNO4C12H14 ABC4D12E14 -202.16 5.25 -9.96 -0.39 0
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292517 115354112 1 BrNOH12C17 ABCD12E17 36.79 1.98 -9.36 -1.19 0
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292518 115354121 1 BrN2H17C18 AB2C17D18 68.77 3.33 -9.15 -0.87 0
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292519 115354134 1 BrN3H14C15 AB3C14D15 73.66 5.5 -8.91 -0.84 0
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292520 115354140 1 BrClN4H8C15 ABC4D8E15 127.47 3.19 -9.41 -1.63 0
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292521 115354142 1 BrClN4H8C15 ABC4D8E15 130.66 3.71 -9.4 -1.62 0
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292522 115354146 1 BrClNH13C16 ABCD13E16 60.72 3.39 -9.44 -1.18 0
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292523 115354150 1 BrSN3H8C12 ABC3D8E12 110.24 5.73 -8.87 -1.76 0
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292524 115354154 1 Br2N3H9C16 A2B3C9D16 112.97 5.12 -9.21 -1.56 0
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292525 115354168 1 BrON2H7C12 ABC2D7E12 43.7 5.6 -9.77 -1.5 0
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292526 115354171 1 BrO2C15H15 AB2C15D15 -60.3 2.12 -9.44 -1.22 0
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292527 115354197 1 BrON2C17H19 ABC2D17E19 -12.8 3.66 -9.03 -1.11 0
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292528 115354200 1 BrON2C17H19 ABC2D17E19 -8.8 5.01 -9.31 -0.98 0
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292529 115354201 1 BrON2C17H19 ABC2D17E19 -8.6 3.21 -9.22 -1.03 0
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292530 115354213 1 BrON3H12C16 ABC3D12E16 36.25 4.86 -8.46 -1.2 0
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292531 115354220 1 BrON2C16H17 ABC2D16E17 -10.28 3.2 -9.12 -1.11 0
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292532 115354231 1 BrON2C17H19 ABC2D17E19 -12.3 5.22 -9.19 -0.85 0
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292533 115354248 1 BrON2C17H21 ABC2D17E21 -13.48 2.44 -9.33 -1.02 0
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292534 115354267 1 BrON2C15H17 ABC2D15E17 -2.84 5.58 -9.26 -0.94 0
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292535 115354272 1 BrOH17C19 ABC17D19 1.97 3.19 -9.15 -0.85 0
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292536 115354309 1 OSBr3H9C15 ABC3D9E15 37.11 0.44 -9.3 -1.12 0
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292537 115354324 1 BrClF2H10C17 ABC2D10E17 -41.94 0.68 -9.29 -1.03 0
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292538 115354333 1 Br2H16C19 A2B16C19 46.77 2.78 -9.1 -0.89 0
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292539 115354334 1 SBr2H14C17 AB2C14D17 52.99 3.0 -9.18 -1.08 0
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292540 115354338 1 Br2H12C17 A2B12C17 64.0 2.08 -9.2 -0.95 0
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292541 115354339 1 OBr2H14C18 AB2C14D18 22.65 2.83 -8.94 -0.97 0
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292542 115354364 1 ClSBr2H11C16 ABC2D11E16 56.58 1.13 -9.26 -1.0 0
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292543 115354367 1 SBr2Cl2H8C15 AB2C2D8E15 61.43 1.43 -9.36 -1.24 0
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292544 115354375 1 BrO2N3C14H14 AB2C3D14E14 -7.46 1.39 -8.96 -1.17 0
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292545 115354401 1 BrON3C16H16 ABC3D16E16 52.79 2.07 -9.51 -1.51 0
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292546 115354410 1 BrON3H14C16 ABC3D14E16 92.37 2.48 -9.28 -1.48 0
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292547 115354415 1 BrN2O3H11C15 AB2C3D11E15 -9.27 2.16 -9.57 -1.61 0
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292548 115354418 1 BrN3C12H12 AB3C12D12 77.9 2.08 -8.99 -1.15 0
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292549 115354422 1 BrN3C16H18 AB3C16D18 63.57 1.68 -9.32 -1.05 0