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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141313 52858873 1 O3N4C17H26 A3B4C17D26 -113.74 6.65 -8.79 -0.13 1
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141314 52858927 1 N2O2C20H25 A2B2C20D25 -35.46 6.31 0.0 0.0 0
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141315 52859161 1 ClOBr2N2H15C16 ABC2D2E15F16 -3.9 4.57 -9.4 -1.43 0
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141316 52859475 1 O3N4C21H24 A3B4C21D24 -43.04 4.76 -8.87 -1.13 0
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141317 52859603 1 N2O2C21H26 A2B2C21D26 -60.13 2.12 -8.87 -0.12 1
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141318 52859604 1 N2O2C21H27 A2B2C21D27 -46.43 4.44 0.0 0.0 0
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141319 52859915 1 SN2O4C21H26 AB2C4D21E26 -138.51 8.7 -8.97 -0.47 1
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141320 52860073 1 BrON2C18H26 ABC2D18E26 -6.66 17.59 0.0 0.0 0
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141321 52860527 1 BrFSO4H14C16 ABCD4E14F16 -158.37 4.45 -9.85 -0.93 0
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141322 52860625 1 O3N6C25H26 A3B6C25D26 -10.75 2.8 -9.11 -0.78 0
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141323 52860626 1 O3N6C25H26 A3B6C25D26 -10.14 4.32 -9.08 -0.88 0
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141324 52860627 1 ON6C18H22 AB6C18D22 70.15 5.31 -9.02 -0.55 0
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141325 52860628 1 ON6C18H22 AB6C18D22 69.5 3.76 -8.94 -0.47 0
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141326 52861243 1 SN5O5C21H21 AB5C5D21E21 -90.2 4.25 -9.39 -1.21 0
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141327 52861477 1 O2N3C24H33 A2B3C24D33 -99.15 4.95 -8.13 -0.07 0
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141328 52861486 1 N3O6C24H29 A3B6C24D29 -142.39 8.68 -9.39 -1.28 0
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141329 52861600 1 N4O4C23H30 A4B4C23D30 -134.04 2.89 -8.7 -0.6 1
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141330 52861831 1 O4N5C21H38 A4B5C21D38 -160.97 4.83 0.0 0.0 0
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141331 52862162 1 SN4O4C21H34 AB4C4D21E34 -169.61 8.46 -9.02 -0.61 0
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141332 52862191 1 SN2O2C23H24 AB2C2D23E24 -19.03 2.15 -8.79 -0.53 1
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141333 52862192 1 NOC20H26 ABC20D26 4.05 5.44 0.0 0.0 0
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141334 52862193 1 NOC20H25 ABC20D25 -16.62 1.43 -8.67 -0.15 0
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141335 52862194 1 N2O2C25H26 A2B2C25D26 -19.92 7.99 -8.85 -0.36 0
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141336 52862195 1 NO2C19H21 AB2C19D21 -46.48 2.74 -8.84 -0.24 0
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141337 52862695 1 SN3O4C20H23 AB3C4D20E23 -80.82 4.92 -8.63 -1.02 0