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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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120711 50741122 1 ClO2S3N5H16C21 AB2C3D5E16F21 50.74 10.81 -8.56 -2.01 0
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120712 50741405 1 ClSO3N4H13C19 ABC3D4E13F19 -22.81 8.88 -8.84 -1.91 0
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120713 50741659 1 N2O3C28H28 A2B3C28D28 -71.28 2.99 -8.92 -0.82 0
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120714 50741698 1 BrNO2H12C17 ABC2D12E17 -5.23 2.47 -9.16 -1.36 0
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120715 50741911 1 OS2N4C7H8 AB2C4D7E8 4.82 6.29 -8.89 -0.96 0
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120716 50741971 1 OSN3C10H11 ABC3D10E11 -8.78 3.28 -9.45 -0.66 0
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120717 50742047 1 S2N4C11H14 A2B4C11D14 64.92 6.3 -8.74 -1.09 0
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120718 50742183 1 O2N4H34C43 A2B4C34D43 101.5 6.75 -8.46 -1.0 0
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120719 50742184 1 O5C11H16 A5B11C16 -182.4 2.31 -10.13 0.52 0
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120720 50742185 1 O5C16H20 A5B16C20 -190.33 2.77 -9.68 0.0 0
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120721 50742186 2 NOH8C9 ABC8D9 9.56 5.48 -9.62 -0.35 0
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120722 50742187 1 O5C11H18 A5B11C18 -217.54 3.23 -10.06 0.85 0
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120723 50742188 1 OSN2C25H30 ABC2D25E30 38.1 17.29 -7.8 -1.69 1
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120724 50742189 1 NOC24H30 ABC24D30 -1.2 4.21 0.0 0.0 0
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120725 50742267 1 ClFN3O3C23H25 ABC3D3E23F25 -107.83 7.24 -8.67 -1.04 0
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120726 50742268 1 NO4C32H47 AB4C32D47 -179.93 7.1 -8.45 -1.24 0
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120727 50742269 1 NO3C31H45 AB3C31D45 -126.67 5.15 -8.59 -1.15 0
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120728 50742325 1 ClFNOC16H19 ABCDE16F19 -91.17 4.19 -8.95 -0.26 0
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120729 50742326 1 ClNF2C15H16 ABC2D15E16 -94.92 2.07 -9.47 -0.29 0
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120730 50742327 1 ClFNC15H17 ABCD15E17 -44.64 1.89 -9.17 -0.38 0
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120732 50742442 1 N2O3C13H14 A2B3C13D14 -104.61 5.36 -9.16 -1.2 0
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120733 50742486 1 SO2N3C16H21 AB2C3D16E21 -24.05 8.36 -9.16 -0.98 0
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120734 50742487 1 FSO2N3C15H18 ABC2D3E15F18 -61.31 7.17 -9.5 -1.19 0
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120735 50742488 1 SO2N3C18H25 AB2C3D18E25 -39.6 6.78 -9.25 -0.92 0
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120736 50742541 1 N3C15H25 A3B15C25 8.14 2.02 -8.48 0.43 0