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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227387 87561611 1 NH12C17F17 AB12C17D17 -812.28 2.56 -9.79 -0.33 0
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227388 87561616 1 ClOH13C23 ABC13D23 47.89 4.0 -8.76 -1.48 0
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227389 87561619 1 ClNO2H8C16 ABC2D8E16 51.13 7.13 -9.14 -1.97 0
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227390 87561620 1 ClOH15C25 ABC15D25 67.18 3.33 -8.26 -1.63 0
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227391 87561621 3 OC5H6 AB5C6 -30.85 4.05 -9.03 -0.4 0
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227392 87561622 1 NSO3C5H5 ABC3D5E5 -65.91 6.39 -9.34 -1.38 0
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227393 87561624 1 ClON3C10H10 ABC3D10E10 37.84 5.04 -9.18 -0.77 0
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227394 87561629 1 ClNO2C5H6 ABC2D5E6 -70.94 4.84 -10.34 -1.62 0
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227395 87561630 1 O3C16H26 A3B16C26 -152.14 0.46 -8.47 0.42 0
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227396 87561635 1 N3O3F9H12C20 A3B3C9D12E20 -428.51 3.64 -10.02 -2.35 0
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227397 87561636 1 SN2O5C11H14 AB2C5D11E14 -208.76 4.35 -9.72 -0.85 0
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227398 87561640 1 ClN4C13H19 AB4C13D19 34.97 5.89 -9.02 -0.72 0
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227399 87561642 1 NaO3C24H37 AB3C24D37 -45.75 49.67 -5.93 -2.81 0
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227400 87561672 1 N3O4F6C29H29 A3B4C6D29E29 -466.39 6.86 -8.9 -0.87 0
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227401 87561674 1 F6N7O8C36H39 A6B7C8D36E39 -554.28 10.1 -9.16 -1.25 -8
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227403 87561687 1 OS2C12H14 AB2C12D14 46.23 2.3 -8.61 -1.1 0
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227404 87561694 2 ON2C6H9 AB2C6D9 14.41 2.8 -8.14 0.0 0
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227405 87561695 1 SF3O3H21C24 AB3C3D21E24 -220.43 5.4 -8.97 -0.88 0
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227406 87561698 2 O2C12H19 A2B12C19 -152.92 4.54 -9.5 0.23 0
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227407 87561701 1 N2S3C14H20 A2B3C14D20 17.45 3.87 -8.1 -0.18 0
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227408 87561707 1 ClOH11C19 ABC11D19 34.85 3.54 -8.86 -1.36 0
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227409 87561709 1 ClLiSN2H3O3C4 ABCD2E3F3G4 -115.83 12.34 0.0 0.0 0
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227410 87561710 1 SN2F4O5H12C14 AB2C4D5E12F14 -330.27 5.8 -9.53 -1.91 0
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227411 87561711 1 ClFN4C15H22 ABC4D15E22 -25.74 4.65 -8.96 -0.62 0
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227412 87561712 1 SO2C7H10 AB2C7D10 -68.44 3.74 -9.02 0.11 0