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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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136687 52085192 1 ON2S2H18C20 AB2C2D18E20 53.74 6.46 -8.38 -0.8 0
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136688 52085193 1 OCl2N2S2H14C19 AB2C2D2E14F19 45.98 5.54 -8.42 -1.27 0
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136689 52085407 1 N2S2O3C22H22 A2B2C3D22E22 -21.16 5.96 -8.29 -0.75 0
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136690 52085759 1 N2O2S2C21H22 A2B2C2D21E22 -7.64 5.82 -8.38 -0.82 0
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136691 52086089 1 N2S2O3C20H22 A2B2C3D20E22 -47.83 5.67 -8.51 -0.9 0
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136692 52086176 1 FN2O4C19H19 AB2C4D19E19 -162.99 4.34 -8.59 -0.52 0
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136693 52086177 1 FN2O4C19H19 AB2C4D19E19 -173.54 4.64 -8.67 -0.57 0
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136694 52086486 2 NO2C10H11 AB2C10D11 -128.98 4.02 -8.51 -0.36 0
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136695 52086531 1 FN2O4C20H21 AB2C4D20E21 -172.84 3.12 -8.51 -0.52 0
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136696 52086600 2 NO2C11H13 AB2C11D13 -141.33 6.21 -8.44 -0.37 0
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136697 52086601 2 NO2C11H13 AB2C11D13 -140.39 4.56 -8.43 -0.38 0
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136698 52086631 1 ClN2O3H19C20 AB2C3D19E20 -75.15 6.69 -8.46 -0.89 0
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136699 52087321 1 N2O4C23H28 A2B4C23D28 -152.71 6.6 -8.45 -0.4 0
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136700 52087392 1 N3O6C21H23 A3B6C21D23 -133.6 6.24 -8.41 -1.68 0
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136701 52087393 1 N3O6C21H23 A3B6C21D23 -136.15 7.54 -8.43 -1.73 0
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136702 52087394 1 N2O5C22H26 A2B5C22D26 -167.21 3.79 -8.5 -0.37 0
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136703 52087395 1 N2O5C22H26 A2B5C22D26 -165.82 6.67 -8.39 -0.27 0
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136704 52087396 1 Cl2N2O4C21H22 A2B2C4D21E22 -145.92 3.06 -8.5 -0.92 0
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136705 52087397 1 Cl2N2O4C21H22 A2B2C4D21E22 -145.86 4.13 -8.53 -1.01 0
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136706 52087398 2 NO2C11H13 AB2C11D13 -135.79 4.53 -8.42 -0.31 0
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136707 52087537 1 FN2O4C23H27 AB2C4D23E27 -187.53 3.2 -8.45 -0.54 0
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136708 52087565 1 N2O4C23H28 A2B4C23D28 -135.53 3.68 -8.75 -0.5 0
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136709 52087760 1 SN3O4H23C25 AB3C4D23E25 -65.77 3.56 -8.55 -0.73 0
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136710 52087914 1 N3O5C27H27 A3B5C27D27 -79.94 2.42 -8.62 -0.6 1
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136711 52087983 1 O2N3C25H30 A2B3C25D30 -2.9 2.71 0.0 0.0 0