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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139588 52566500 1 SN2O2C22H24 AB2C2D22E24 -22.14 4.16 -8.62 -0.43 0
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139589 52566657 1 BrN3O3C14H16 AB3C3D14E16 -56.61 1.95 -8.94 -0.85 0
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139590 52566861 1 SN2O2C14H18 AB2C2D14E18 -13.71 1.6 -9.04 -0.63 0
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139591 52566933 1 SN2F3O3C17H17 AB2C3D3E17F17 -238.29 6.98 -9.5 -0.99 0
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139592 52566934 1 ClNF3O3H15C17 ABC3D3E15F17 -245.67 2.06 -8.76 -0.56 0
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139593 52567026 1 N4O5C25H30 A4B5C25D30 -94.12 9.22 -9.01 -1.04 0
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139594 52567062 1 ClOS2N3H20C21 ABC2D3E20F21 38.85 7.92 -8.67 -1.22 0
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139595 52567274 1 SN3O4C23H31 AB3C4D23E31 -137.53 6.3 -8.68 -0.47 0
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139596 52567660 1 SO6C19H20 AB6C19D20 -192.33 2.74 -8.72 -1.2 0
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139597 52567704 1 BrNSO4C19H22 ABCD4E19F22 -120.38 5.38 -8.52 -0.46 0
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139598 52567947 1 ClSO3N5C22H24 ABC3D5E22F24 -27.25 10.64 -9.28 -0.89 0
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139599 52567951 1 S2O3N4C14H18 A2B3C4D14E18 -76.37 9.05 -9.42 -1.39 0
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139600 52568435 1 N2O4C19H20 A2B4C19D20 -53.79 3.59 -9.2 -1.11 0
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139601 52568436 1 N2O4C19H20 A2B4C19D20 -52.44 8.91 -9.27 -1.18 0
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139602 52568437 1 N2O4C19H20 A2B4C19D20 -50.59 11.29 -9.13 -1.02 0
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139603 52569294 1 ON4C14H24 AB4C14D24 -22.68 2.86 -8.87 0.08 0
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139604 52569878 1 ClFOSN3H11C16 ABCDE3F11G16 -14.31 3.17 -8.34 -1.03 0
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139605 52569977 1 SN3O3C21H21 AB3C3D21E21 -75.09 4.97 -8.91 -0.84 1
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139606 52570315 1 OCl2N6C20H27 AB2C6D20E27 16.89 4.67 0.0 0.0 0
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139607 52570431 1 SO2N3C20H29 AB2C3D20E29 -92.19 7.78 -8.98 -0.48 0
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139608 52570501 1 N3O4C22H27 A3B4C22D27 -158.03 5.47 -9.29 -0.63 0
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139609 52570608 1 ClN3O3C21H22 AB3C3D21E22 -52.08 3.28 -8.16 -0.79 0
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139610 52570609 1 OF3N4H17C18 AB3C4D17E18 -108.54 5.81 -9.23 -1.18 0
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139611 52570811 1 NS2O4C15H17 AB2C4D15E17 -133.18 7.29 -8.32 -0.79 0
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139612 52570924 1 N2O5C27H28 A2B5C27D28 -119.82 8.36 -8.31 -0.45 0