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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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172655 75536880 1 N2O4C11H16 A2B4C11D16 -105.15 5.16 -9.43 -0.18 0
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172656 75537107 2 ON2C7H12 AB2C7D12 -93.92 5.29 -8.8 0.65 0
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172657 75537156 1 ClNBr2C16H18 ABC2D16E18 5.87 2.36 -9.32 -0.36 0
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172658 75537187 2 NO2C5H6 AB2C5D6 -139.46 0.49 -8.72 -0.38 0
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172659 75537691 1 SO2N4C18H20 AB2C4D18E20 6.18 3.91 -8.59 -0.63 0
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172660 75537692 1 SO2N4C18H20 AB2C4D18E20 3.76 6.09 -8.45 -0.42 0
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172661 75538245 1 ClN2O2C18H23 AB2C2D18E23 -91.89 4.41 -8.62 -0.18 0
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172662 75538246 1 ClN2O2C16H19 AB2C2D16E19 -86.49 3.62 -8.84 -0.41 0
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172663 75538247 1 ClN2O2C15H17 AB2C2D15E17 -67.64 2.77 -8.97 -0.54 0
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172664 75538248 1 ClN2O3C18H19 AB2C3D18E19 -100.43 3.24 -8.94 -0.52 0
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172665 75538336 1 ClON3C16H20 ABC3D16E20 -12.22 4.92 -9.0 -0.55 0
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172666 75538337 1 ClON3C14H16 ABC3D14E16 -3.71 4.9 -9.04 -0.59 0
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172667 75538521 1 N3O5C21H23 A3B5C21D23 -166.59 7.81 -8.35 -0.29 0
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172668 75538536 1 ON4C14H22 AB4C14D22 -4.14 4.98 -8.77 0.24 0
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172669 75538665 1 NSO2C18H21 ABC2D18E21 -38.43 4.18 -9.38 -0.39 0
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172670 75538683 2 NOC10H15 ABC10D15 -108.04 5.48 -9.19 0.2 0
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172671 75539193 1 SN4C27H28 AB4C27D28 116.6 6.14 -9.2 -0.85 0
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172672 75539567 1 ClS2N3C5H8 AB2C3D5E8 18.34 5.1 -9.44 -1.19 0
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172673 75539658 1 NOC12H15 ABC12D15 -16.86 0.98 -8.12 0.04 0
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172674 75539659 1 BrNSO2C9H16 ABCD2E9F16 -79.86 4.69 -9.7 -0.1 0
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172675 75539667 1 BrON5H8C9 ABC5D8E9 56.32 4.95 -9.68 -1.62 0
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172676 75539764 1 FSN2O3C19H21 ABC2D3E19F21 -114.45 3.9 -9.68 -0.9 0
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172677 75539765 1 N2O3C22H26 A2B3C22D26 -90.68 5.76 -8.9 -0.72 0
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172678 75539876 1 ClN2O4C17H21 AB2C4D17E21 -129.41 2.62 -8.94 -0.68 0
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172679 75540553 1 SN2O2H12C13 AB2C2D12E13 -3.81 4.36 -8.53 -1.06 0