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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140238 52668671 1 SO3N5C19H19 AB3C5D19E19 -28.28 4.88 -8.74 -0.41 0
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140239 52668675 1 O2N7H19C22 A2B7C19D22 82.66 6.75 -8.88 -1.15 0
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140240 52669062 1 ClFSN2O2C17H18 ABCD2E2F17G18 -92.98 6.4 -8.57 -0.92 0
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140241 52669208 1 FSN3O3H20C24 ABC3D3E20F24 -87.7 7.4 -8.98 -1.35 0
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140242 52669590 1 ClNO3H20C21 ABC3D20E21 -65.82 2.82 -8.99 -0.08 0
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140243 52669591 1 ClNO3H20C21 ABC3D20E21 -65.73 2.71 -8.99 -0.09 0
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140244 52669592 1 ClNO3H20C21 ABC3D20E21 -64.72 2.19 -9.01 -0.18 0
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140245 52669593 1 ClNO3H20C21 ABC3D20E21 -58.87 5.53 -8.89 -0.15 0
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140246 52669594 1 ClNO3H20C21 ABC3D20E21 -61.23 1.19 -9.05 -0.28 0
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140247 52669595 1 BrNO2H18C20 ABC2D18E20 -9.74 3.29 -9.4 -0.2 1
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140248 52669647 1 SN4O6C18H29 AB4C6D18E29 -147.06 8.66 0.0 0.0 0
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140249 52669832 1 O2N7C25H33 A2B7C25D33 14.76 5.29 -8.35 -1.46 0
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140250 52670082 1 O3N4C24H38 A3B4C24D38 -150.73 9.42 -9.0 0.15 0
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140251 52670083 1 ClN3O3C23H34 AB3C3D23E34 -143.97 4.31 -8.87 -0.12 0
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140252 52670365 1 BrFN2O2S2H16C17 ABC2D2E2F16G17 -81.13 3.52 -8.54 -1.25 0
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140253 52670366 1 BrFN2O2S2H16C17 ABC2D2E2F16G17 -81.77 4.68 -8.44 -1.43 0
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140254 52670367 1 FSN2O3C20H23 ABC2D3E20F23 -164.88 3.52 -8.57 -0.5 0
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140255 52670368 1 FSN2O3C20H23 ABC2D3E20F23 -165.61 0.65 -8.62 -0.49 0
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140256 52670369 1 ClN3O5C20H24 AB3C5D20E24 -154.27 4.78 -8.62 -0.7 0
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140257 52670370 1 ClN3O3C19H22 AB3C3D19E22 -92.64 8.03 -8.26 -0.53 0
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140258 52670371 1 ClO2N3C22H22 AB2C3D22E22 -34.94 4.09 -8.35 -0.76 0
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140259 52670884 1 S2N3O3C21H21 A2B3C3D21E21 -51.37 6.03 -8.39 -0.63 0
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140260 52670939 1 S2N3O3C23H25 A2B3C3D23E25 -59.67 8.42 -8.71 -0.73 0
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140261 52670991 1 N3O4C25H31 A3B4C25D31 -127.06 5.39 -9.45 -0.35 1
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140262 52671258 1 O2N4C22H25 A2B4C22D25 36.76 30.91 0.0 0.0 0