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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139963 52622340 1 SN3O3C20H31 AB3C3D20E31 -127.41 5.81 -8.79 -0.84 0
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139964 52622425 1 ON2C16H20 AB2C16D20 -1.85 5.96 -9.48 -0.58 0
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139965 52622681 1 FN3O3C26H30 AB3C3D26E30 -140.74 3.54 -8.91 -0.41 0
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139966 52622767 1 SN3O5C21H33 AB3C5D21E33 -229.42 2.83 -9.58 -0.8 0
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139967 52622768 1 SN2O3C23H36 AB2C3D23E36 -175.58 4.3 -8.96 -0.5 0
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139968 52622769 1 SN2O3C23H36 AB2C3D23E36 -176.45 4.0 -8.98 -0.3 1
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139969 52622988 1 OF3N3C14H27 AB3C3D14E27 -222.96 2.08 0.0 0.0 0
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139970 52623496 1 O2N5C14H23 A2B5C14D23 -62.79 2.14 -8.91 -0.13 0
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139971 52623754 1 ClN2O2F3H16C17 AB2C2D3E16F17 -202.72 5.63 -9.53 -1.03 1
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139972 52625040 1 ClN2O3C23H30 AB2C3D23E30 -77.62 3.03 0.0 0.0 0
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139973 52625041 1 ClN2O3C23H29 AB2C3D23E29 -96.29 3.47 -8.28 0.11 1
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139974 52625282 1 ON2C20H33 AB2C20D33 -34.19 3.64 0.0 0.0 0
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139975 52625283 1 ON2C20H32 AB2C20D32 -58.09 4.04 -8.94 0.36 1
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139976 52625286 1 ON2C21H29 AB2C21D29 4.1 5.49 0.0 0.0 1
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139977 52625316 1 N2O3C22H31 A2B3C22D31 -77.7 4.29 0.0 0.0 1
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139978 52625812 1 N4O4C23H31 A4B4C23D31 -127.75 3.67 0.0 0.0 0
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139979 52626169 2 NO2C13H17 AB2C13D17 -136.54 7.87 -8.56 -0.38 0
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139980 52626325 1 ClN3O3C25H36 AB3C3D25E36 -143.52 2.03 -8.83 -0.44 0
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139981 52626366 1 N2O3C21H22 A2B3C21D22 -47.74 5.61 -8.83 -0.89 0
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139982 52626466 1 SN3O3C22H35 AB3C3D22E35 -123.39 2.55 -8.37 0.25 0
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139983 52626467 1 OSN3C23H25 ABC3D23E25 29.12 6.42 -8.22 -0.17 0
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139984 52626468 1 OSN3C23H25 ABC3D23E25 30.06 6.33 -8.23 -0.28 0
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139985 52626607 1 ClSN2O2C23H25 ABC2D2E23F25 -56.0 6.0 -9.24 -0.38 0
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139986 52626608 1 ClSN2O2C23H25 ABC2D2E23F25 -57.29 1.88 -8.96 -0.62 1
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139987 52626862 1 O2N4C21H29 A2B4C21D29 -53.55 2.62 0.0 0.0 0