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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85600 49877535 1 NCl2O2C15H24 AB2C2D15E24 -82.47 4.48 0.0 0.0 -1
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85601 49877540 1 ClN2O2C19H26 AB2C2D19E26 -0.57 3.43 0.0 0.0 -1
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85602 49877598 1 ClNO2F4C15H17 ABC2D4E15F17 -197.68 2.3 0.0 0.0 -1
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85603 49877614 1 ClNO2C4H7 ABC2D4E7 -65.14 5.53 0.0 0.0 0
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85604 49877630 1 N2O7C27H34 A2B7C27D34 -209.04 6.26 -8.57 -0.63 0
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85605 49877632 1 N2O6C25H30 A2B6C25D30 -160.34 8.15 -8.67 -0.76 0
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85606 49877633 1 N2O6C27H34 A2B6C27D34 -186.84 6.88 -8.76 -0.76 0
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85607 49877634 1 N2O7C26H32 A2B7C26D32 -210.7 8.9 -8.65 -0.91 -1
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85608 49877636 1 ClNO2C12H17 ABC2D12E17 -42.3 0.85 0.0 0.0 -1
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85609 49877649 1 ClN2O3C12H14 AB2C3D12E14 -77.15 2.33 0.0 0.0 -1
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85610 49877654 1 ClON3C11H21 ABC3D11E21 -36.21 5.38 0.0 0.0 0
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85611 49877666 1 N3O5C28H29 A3B5C28D29 -84.87 7.92 -9.12 -0.63 0
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85612 49877669 1 SN3O6H17C22 AB3C6D17E22 -57.06 4.82 -9.05 -1.56 0
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85613 49877678 1 FN2O5H19C25 AB2C5D19E25 -126.36 11.38 -9.46 -0.94 0
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85614 49877689 1 BrN2O5H17C22 AB2C5D17E22 -67.97 5.26 -9.51 -1.25 -1
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85615 49877692 1 ClNO2C11H15 ABC2D11E15 -80.77 1.46 0.0 0.0 0
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85616 49877696 1 N3O7H21C24 A3B7C21D24 -77.81 9.22 -9.51 -1.67 0
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85617 49877716 1 N2C19H24 A2B19C24 36.68 2.77 -8.95 0.52 0
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85618 49877718 2 NC10H13 AB10C13 21.5 1.69 -8.6 0.67 0
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85619 49877719 1 F2N2C19H22 A2B2C19D22 -58.16 5.73 -9.11 0.1 0
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85620 49877720 1 Cl2N2C19H22 A2B2C19D22 16.2 6.12 -9.05 0.01 0
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85621 49877722 2 NO2C13H18 AB2C13D18 -123.56 1.31 -8.53 -1.29 0
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85622 49877723 2 BrON2H9C12 ABC2D9E12 95.17 13.05 -8.58 -1.61 0
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85623 49877730 1 O3N4H18C22 A3B4C18D22 31.5 4.41 -8.41 -1.28 0
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85624 49877745 1 BrSO3N4C29H29 ABC3D4E29F29 -67.22 3.48 -8.36 -1.16 0