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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39678 8141854 1 ClO2N3C21H24 AB2C3D21E24 -54.41 1.52 -9.03 -0.35 1
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39679 8141859 1 ClO2N3C20H23 AB2C3D20E23 -31.79 6.38 0.0 0.0 0
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39680 8141860 1 ClO2N3C20H22 AB2C3D20E22 -47.0 3.84 -9.06 -0.44 0
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39681 8141866 1 ClF2O2N3H18C19 AB2C2D3E18F19 -135.2 3.99 -9.04 -0.89 1
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39682 8141877 1 ClFO2N3C21H22 ABC2D3E21F22 -56.25 4.98 0.0 0.0 1
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39683 8141879 1 ClN3O3C22H25 AB3C3D22E25 -49.58 4.5 0.0 0.0 1
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39684 8141887 1 ClSO2N3C21H25 ABC2D3E21F25 -37.51 4.43 0.0 0.0 0
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39685 8141900 1 ClN3O3C21H24 AB3C3D21E24 -90.1 3.26 -8.96 -0.28 0
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39686 8141907 1 N2O5H22C23 A2B5C22D23 -46.1 3.85 -8.49 -1.54 0
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39687 8141909 1 NO4C23H23 AB4C23D23 -59.36 3.86 -8.32 -0.68 0
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39688 8141913 1 NO3C23H23 AB3C23D23 -39.81 4.0 -8.26 -0.1 0
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39689 8141918 1 N2O3H22C24 A2B3C22D24 -8.72 2.87 -8.66 -1.16 0
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39690 8141921 1 NO5C25H25 AB5C25D25 -110.53 3.27 -8.39 0.01 0
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39691 8141925 1 NF2O3H21C23 AB2C3D21E23 -134.73 4.09 -8.48 -0.75 0
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39692 8141929 1 ClN4O4C16H21 AB4C4D16E21 -84.53 7.78 -9.3 -1.7 1
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39693 8141930 1 BrO2N3C16H23 AB2C3D16E23 -51.62 2.02 0.0 0.0 1
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39694 8141940 1 ClN4O4C16H22 AB4C4D16E22 -64.03 3.32 0.0 0.0 1
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39695 8141946 1 SN4O4C20H33 AB4C4D20E33 -142.18 7.82 0.0 0.0 0
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39696 8141963 1 N3O3C23H27 A3B3C23D27 -82.95 3.09 -8.83 -0.79 0
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39697 8141975 1 N2O5C24H30 A2B5C24D30 -204.17 7.04 -8.55 0.0 0
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39698 8141977 1 NO5C24H25 AB5C24D25 -134.91 4.82 -8.6 -0.73 0
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39699 8141979 1 ClSN3O3H14C15 ABC3D3E14F15 -15.31 4.05 -8.78 -2.0 0
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39700 8141980 1 SN3O4C16H17 AB3C4D16E17 -43.01 9.04 -9.18 -1.05 0
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39701 8141981 1 SN3O4C16H17 AB3C4D16E17 -44.08 9.27 -9.2 -1.06 0
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39702 8141987 1 OSN2C17H20 ABC2D17E20 -17.54 2.22 -8.46 -0.11 0