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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413664 135086613 1 NO2F3H14C16 AB2C3D14E16 -168.33 6.01 -8.75 -0.58 0
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413665 135086614 1 NF3H12C15 AB3C12D15 -97.57 5.28 -9.22 -0.84 0
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413666 135086615 1 ClNOPSH15C18 ABCDEF15G18 5.72 2.61 -9.47 -0.88 0
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413667 135086616 1 BrFSN2O2H14C18 ABCD2E2F14G18 -56.26 7.83 -9.03 -0.87 0
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413668 135086617 1 O2N4H12C13 A2B4C12D13 54.0 3.57 -10.34 -1.19 0
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413669 135086618 1 O2N3C13H15 A2B3C13D15 11.06 2.65 -9.64 -0.37 0
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413670 135086619 1 Cl2N2H8C9 A2B2C8D9 34.53 3.93 -9.7 -1.2 1
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413671 135086620 1 ON4C13H13 AB4C13D13 88.32 3.03 0.0 0.0 1
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413672 135086621 1 N4H11C12 A4B11C12 130.89 2.59 0.0 0.0 1
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413673 135086622 1 FN4H10C12 AB4C10D12 83.45 1.43 0.0 0.0 0
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413674 135086623 1 OCl3C12H19 AB3C12D19 -79.49 2.71 -10.14 -0.86 0
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413675 135086624 1 NO6C16H21 AB6C16D21 -243.88 1.64 -9.13 -0.91 0
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413676 135086625 2 O3H9C10 A3B9C10 -171.62 3.55 -8.92 -0.76 0
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413677 135086626 1 BrN2C13H15 AB2C13D15 35.34 7.96 -8.41 -0.62 0
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413678 135086627 1 N2O3H18C20 A2B3C18D20 11.09 2.12 -9.26 -1.65 0
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413679 135086628 1 N2O2C17H24 A2B2C17D24 -49.48 7.6 -8.0 -0.3 0
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413680 135086629 1 NO3C16H17 AB3C16D17 -78.14 5.14 -8.79 -0.78 0
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413681 135086630 1 NO3H19C21 AB3C19D21 -52.26 2.25 -8.8 -0.85 0
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413682 135086631 2 NC12H17 AB12C17 47.45 2.32 -7.99 -0.37 0
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413683 135086632 2 NC11H14 AB11C14 53.8 2.21 -7.96 -0.34 0
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413684 135086633 1 N2O5H18C19 A2B5C18D19 -130.61 2.07 -8.24 -0.9 0
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413685 135086634 2 NO2C10H11 AB2C10D11 -102.37 3.68 -8.33 -0.56 0
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413686 135086635 1 ClN2C13H13 AB2C13D13 36.0 4.1 -8.47 -0.44 0
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413687 135086636 1 NO3H15C18 AB3C15D18 -47.19 2.34 -8.59 -1.08 0
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413688 135086637 1 O4C11H16 A4B11C16 -117.1 3.59 -10.3 -0.18 0