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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28423 827479 1 N3H17C20 A3B17C20 81.96 1.42 -8.08 -0.94 0
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28424 827480 1 NO3H13C17 AB3C13D17 -12.67 2.28 -9.69 -1.09 0
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28425 827494 1 O2H18C19 A2B18C19 -22.25 1.96 -9.32 0.12 0
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28426 827498 1 NO3H9C11 AB3C9D11 -28.73 0.93 -9.64 -1.1 0
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28427 827521 1 NO4C15H15 AB4C15D15 -123.9 6.6 -9.45 -0.69 0
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28428 827528 1 N2O3H18C19 A2B3C18D19 -37.37 5.96 -8.73 -0.72 2
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28429 827543 2 NSC9H13 ABC9D13 116.22 0.71 -5.28 0.29 0
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28430 827548 1 NSO4H7C11 ABC4D7E11 -35.7 0.76 -10.2 -2.15 0
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28431 827551 1 NO4C20H23 AB4C20D23 -148.17 6.24 -9.01 -0.37 0
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28432 827561 2 NO2C7H8 AB2C7D8 -114.11 3.17 -9.67 -0.48 0
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28433 827563 1 N2S2C11H12 A2B2C11D12 72.5 6.19 -8.52 -0.69 0
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28434 827581 1 NO2C15H19 AB2C15D19 -53.16 2.99 -8.71 0.0 0
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28435 827583 1 NOC15H19 ABC15D19 -21.6 4.01 -9.63 0.0 0
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28436 827587 1 ON4H12C13 AB4C12D13 54.48 4.41 -8.19 -1.37 0
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28437 827589 1 SN2O2C14H16 AB2C2D14E16 -46.61 5.63 -8.76 -0.6 1
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28438 827593 1 NO3C14H22 AB3C14D22 -71.62 2.45 0.0 0.0 0
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28439 827598 1 ON3H15C17 AB3C15D17 44.69 3.71 -8.72 -0.66 0
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28440 827615 1 NO3H13C22 AB3C13D22 37.25 4.67 -9.33 -2.12 0
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28441 827619 2 NOC11H11 ABC11D11 -2.75 0.6 -9.19 -0.66 0
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28442 827622 1 ON2C20H22 AB2C20D22 -5.02 5.61 -8.69 -0.31 0
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28443 827627 1 NO2H21C22 AB2C21D22 -27.46 3.27 -8.67 -0.12 0
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28444 827631 1 ClO3N4H13C16 AB3C4D13E16 -48.59 7.13 -9.4 -0.98 0
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28445 827650 1 N3C22H23 A3B22C23 80.44 3.03 -8.17 -0.19 0
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28446 827652 1 N2O3C12H18 A2B3C12D18 -51.29 5.01 -9.18 -1.4 0
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28447 827693 1 ClSN2O2H13C14 ABC2D2E13F14 -0.12 3.37 -8.92 -0.82 0
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28448 827696 1 SN2O3C16H16 AB2C3D16E16 -34.17 4.78 -9.16 -0.8 0
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28449 827700 1 ClON2F3H8C13 ABC2D3E8F13 -150.03 0.94 -9.82 -1.21 0
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28450 827702 1 NSO3H17C18 ABC3D17E18 -50.63 3.35 -8.44 -1.17 0
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28451 827703 1 N2O2C21H24 A2B2C21D24 -41.11 2.74 -8.38 0.32 0
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28452 827705 1 N2O3C19H24 A2B3C19D24 -72.89 5.65 -8.77 -0.51 0
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28453 827707 1 ON3H15C23 AB3C15D23 114.74 4.58 -9.6 -1.16 0
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28454 827713 1 NSO3C19H23 ABC3D19E23 -121.59 5.7 -8.66 -0.82 0
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28455 827721 1 NO2C22H29 AB2C22D29 -58.31 4.03 -8.19 0.14 0
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28456 827726 1 ClN2O3H13C17 AB2C3D13E17 -87.09 8.14 -8.85 -0.78 0
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28457 827729 1 ON2C16H18 AB2C16D18 7.74 5.5 -9.1 -0.75 0
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28458 827734 1 NO4H17C21 AB4C17D21 -20.42 4.06 -8.89 -1.63 0
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28459 827736 1 ON2C19H20 AB2C19D20 9.56 4.07 -8.16 -0.26 0
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28460 827740 1 O3H18C20 A3B18C20 -67.54 4.87 -9.62 -1.3 0
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28461 827744 1 FNO2C12H14 ABC2D12E14 -117.29 4.71 -9.68 -0.49 0
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28462 827745 1 FNO2C12H14 ABC2D12E14 -117.24 3.28 -9.65 -0.53 0
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28463 827748 1 N3O3C13H15 A3B3C13D15 -79.2 2.9 -8.53 -0.18 0
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28464 827750 1 NO4H11C19 AB4C11D19 11.53 9.28 -9.27 -1.87 0
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28465 827753 1 NO4H15C21 AB4C15D21 -7.09 9.29 -9.08 -1.79 0
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28466 827773 1 NO2C16H17 AB2C16D17 -30.47 1.96 -8.2 -0.14 0
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28467 827782 1 OSN4H12C17 ABC4D12E17 99.77 3.59 -9.16 -1.25 0
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28468 827784 1 N2O2H18C19 A2B2C18D19 8.63 5.48 -8.3 -0.77 0
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28469 827785 1 NSO3C18H21 ABC3D18E21 -109.3 7.96 -9.45 -0.91 0
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28470 827786 1 FNSO2H10C15 ABCD2E10F15 -56.93 2.91 -8.82 -1.5 0
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28471 827788 1 SO5H10C15 AB5C10D15 -133.83 8.69 -9.17 -0.98 0
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28472 827793 1 BrO3H7C10 AB3C7D10 -49.28 4.08 -9.08 -1.34 0