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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141288 52854508 1 SO2N4C26H29 AB2C4D26E29 23.96 4.73 0.0 0.0 1
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141289 52854610 1 N2O2C13H21 A2B2C13D21 -69.44 2.99 0.0 0.0 1
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141290 52854709 1 N3O3C23H38 A3B3C23D38 -126.74 3.44 0.0 0.0 1
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141291 52854731 1 N3O3C22H36 A3B3C22D36 -112.92 6.33 0.0 0.0 1
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141292 52854741 1 N2O2C21H33 A2B2C21D33 -35.19 3.64 0.0 0.0 1
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141293 52854751 1 FOSN3C24H27 ABCD3E24F27 11.13 18.38 0.0 0.0 0
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141294 52854802 1 O2N3C27H31 A2B3C27D31 -8.3 2.71 -8.98 -0.5 0
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141295 52855302 1 ON4C21H22 AB4C21D22 70.08 1.78 -8.93 -1.11 1
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141296 52855875 1 NOSC19H26 ABCD19E26 13.74 1.06 0.0 0.0 0
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141297 52855876 1 NOSC19H25 ABCD19E25 -0.01 4.37 -8.04 0.17 1
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141298 52855877 1 NOSC19H26 ABCD19E26 13.54 6.15 0.0 0.0 0
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141299 52855878 1 NOSC19H25 ABCD19E25 -2.86 3.72 -8.1 0.08 0
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141300 52856128 1 N3O3C23H35 A3B3C23D35 -136.44 3.15 -8.9 0.09 1
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141301 52856514 3 NOC8H8 ABC8D8 43.19 11.97 0.0 0.0 0
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141302 52856515 1 N3O3H23C24 A3B3C23D24 24.51 9.98 -9.23 -1.19 1
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141303 52856752 1 OSN5C27H34 ABC5D27E34 75.13 3.51 0.0 0.0 1
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141304 52856796 1 O3N4C25H33 A3B4C25D33 8.61 33.43 0.0 0.0 0
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141305 52857754 1 ClSN2O4C14H19 ABC2D4E14F19 -117.76 7.08 -9.17 -1.42 0
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141306 52857755 1 SF3O3N4C19H23 AB3C3D4E19F23 -230.67 6.19 -8.86 -0.57 0
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141307 52857764 1 FNSO3C14H20 ABCD3E14F20 -158.95 2.85 -9.39 -0.18 0
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141308 52858084 1 ClSN2O5C20H21 ABC2D5E20F21 -145.6 4.94 -9.55 -1.71 0
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141309 52858158 1 SN3O3C21H27 AB3C3D21E27 -77.11 3.9 -8.08 -0.74 1
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141310 52858355 1 FSO2N4C20H24 ABC2D4E20F24 -20.22 3.84 0.0 0.0 0
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141311 52858356 1 FSO2N4C20H23 ABC2D4E20F23 -41.56 5.23 -8.78 -1.38 0
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141312 52858600 1 N3O5C18H21 A3B5C18D21 -99.64 7.21 -8.68 -1.08 0