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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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260700 103200429 1 O3N4C14H16 A3B4C14D16 -15.57 4.52 -9.05 -1.12 0
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260701 103200464 1 ClO2N4H9C13 AB2C4D9E13 34.53 5.51 -10.02 -1.74 0
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260702 103200504 1 F2O2N3H7C13 A2B2C3D7E13 -66.23 6.38 -9.92 -1.88 0
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260703 103200505 1 BrFO2N3H7C13 ABC2D3E7F13 -17.65 7.8 -9.88 -1.84 0
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260704 103200530 1 N3O3H11C14 A3B3C11D14 -17.43 10.31 -9.46 -1.61 0
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260705 103200688 2 ON2C5H5 AB2C5D5 -9.63 10.19 -9.76 -1.5 0
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260706 103200826 1 N3O3C11H11 A3B3C11D11 -58.0 7.22 -9.98 -1.52 0
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260707 103200962 1 O2N4H14C15 A2B4C14D15 17.24 5.62 -9.51 -1.24 0
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260708 103200972 1 ClO2N4C10H11 AB2C4D10E11 -25.08 3.21 -9.78 -1.17 0
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260709 103201003 1 O3N4H12C13 A3B4C12D13 -28.02 9.82 -9.51 -1.47 0
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260710 103201020 1 BrClO2N4H8C13 ABC2D4E8F13 22.16 8.57 -10.32 -1.66 0
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260711 103201084 1 O2N5C10H11 A2B5C10D11 -1.28 8.69 -9.82 -1.38 0
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260712 103201090 1 O2N5C8H9 A2B5C8D9 0.15 8.07 -10.35 -1.4 0
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260713 103201108 2 ON3C6H8 AB3C6D8 -1.81 5.08 -8.99 -0.95 0
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260714 103201148 1 NO3C17H19 AB3C17D19 -78.06 3.77 -7.94 0.22 0
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260715 103201158 1 N2O3C13H20 A2B3C13D20 -124.12 4.3 -8.64 0.04 0
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260716 103201179 1 NO3C9H13 AB3C9D13 -99.98 3.32 -8.43 0.12 0
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260717 103201243 1 NO2C11H17 AB2C11D17 -77.82 1.01 -8.29 0.39 0
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260718 103201400 1 N2O3C16H16 A2B3C16D16 -36.98 6.39 -8.07 -0.65 0
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260719 103201459 1 SN2O2C11H12 AB2C2D11E12 -13.33 3.71 -8.11 -0.75 0
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260720 103201460 1 NO3C11H17 AB3C11D17 -105.99 2.34 -8.0 0.29 0
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260721 103201463 1 NSO2C11H17 ABC2D11E17 -64.23 3.9 -8.29 0.27 0
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260722 103201602 1 ClN3O4H10C12 AB3C4D10E12 -2.8 8.11 -9.37 -1.46 0
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260723 103201763 1 N3O4C14H15 A3B4C14D15 -25.48 6.02 -9.33 -1.27 0
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260724 103201772 1 N3O4C14H15 A3B4C14D15 -24.48 6.81 -9.28 -1.28 0
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260725 103201778 1 FNO5H10C14 ABC5D10E14 -97.25 7.41 -9.63 -1.7 0
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260726 103201871 1 NO5C13H17 AB5C13D17 -114.99 5.97 -8.99 -1.29 0
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260727 103201880 1 NO6H11C13 AB6C11D13 -81.36 7.56 -9.2 -1.1 0
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260728 103201930 2 NO2C7H7 AB2C7D7 -96.66 2.77 -8.66 -0.95 0
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260729 103201933 1 ClN2O2H11C14 AB2C2D11E14 -1.71 6.73 -8.6 -0.89 0
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260730 103201941 1 O2N3H11C13 A2B3C11D13 22.96 2.62 -8.44 -1.07 0
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260731 103201942 1 ClO2N3H10C11 AB2C3D10E11 -6.77 4.23 -8.43 -0.75 0
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260732 103201996 1 O2N3H13C14 A2B3C13D14 7.21 5.63 -8.33 -0.79 0
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260733 103202029 1 SO2N3H13C14 AB2C3D13E14 6.54 1.6 -8.32 -0.91 0
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260734 103202066 1 O2N3C13H15 A2B3C13D15 -18.92 4.66 -8.21 -0.37 0
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260735 103202075 1 O2N3H15C16 A2B3C15D16 7.63 2.65 -8.24 -0.77 0
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260736 103202106 1 O2N3C13H15 A2B3C13D15 -17.1 6.12 -8.48 -0.43 0
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260737 103202136 1 NO4C12H13 AB4C12D13 -22.69 5.14 -9.0 -1.28 0
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260738 103202185 1 N3O4C13H17 A3B4C13D17 -39.97 11.15 -8.97 -0.85 0
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260739 103202217 1 N3O5C13H17 A3B5C13D17 -82.89 8.5 -9.17 -1.36 0
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260740 103202250 1 N4O4C13H14 A4B4C13D14 -6.57 7.4 -8.98 -1.0 -1
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260741 103202295 1 BNF3O4C8H8 ABC3D4E8F8 -299.05 5.65 0.0 0.0 0
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260742 103202464 1 N4C15H26 A4B15C26 32.86 6.0 -8.45 -0.01 0
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260743 103202479 1 N3C17H21 A3B17C21 57.22 5.39 -8.06 -0.11 0
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260744 103202519 4 NC4H7 AB4C7 27.04 6.34 -8.65 0.06 0
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260745 103202537 1 FN3H12C13 AB3C12D13 33.1 5.52 -8.39 -0.28 0
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260746 103202563 1 ON4C16H18 AB4C16D18 38.51 4.53 -9.18 -0.21 0
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260747 103202618 1 SN3C12H13 AB3C12D13 85.91 3.37 -9.13 -0.16 0
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260748 103202716 1 FN3C15H16 AB3C15D16 27.18 4.36 -9.2 -0.03 0
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260749 103202719 1 ON4C12H18 AB4C12D18 -3.99 2.69 -9.29 -0.2 0