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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162507 57394889 1 BrSO2N3H16C18 ABC2D3E16F18 -0.19 12.0 -8.91 -0.85 0
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162508 57394893 2 NSO2C13H13 ABC2D13E13 -86.86 9.57 -9.28 -1.02 0
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162509 57394897 1 PN2O7C12H17 AB2C7D12E17 -343.22 5.94 -10.17 -0.8 0
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162510 57394898 1 SN4O6C22H28 AB4C6D22E28 -191.57 4.99 -9.13 -0.46 0
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162511 57394900 1 N2O3C18H18 A2B3C18D18 -48.22 4.65 -9.24 -0.34 0
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162512 57394905 1 SN3O4C19H19 AB3C4D19E19 -81.13 11.48 -8.56 -1.48 0
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162514 57394912 1 ON7H13C18 AB7C13D18 160.0 4.42 -9.53 -2.21 0
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162515 57394915 1 O2N3C30H33 A2B3C30D33 -15.36 7.08 -8.2 -0.22 0
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162516 57394919 1 FO2N3H26C28 AB2C3D26E28 -31.56 3.66 -8.27 -0.17 0
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162519 57394932 1 ON7C19H21 AB7C19D21 50.14 3.13 -7.82 -0.55 0
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162520 57394935 1 ON7C17H17 AB7C17D17 51.14 1.07 -7.89 -0.58 0
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162521 57394936 1 ON7C19H23 AB7C19D23 58.62 2.65 -7.8 -0.39 0
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162522 57394937 1 O4C25H48 A4B25C48 -280.71 3.02 -9.84 0.47 0
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162523 57394941 1 NO8C47H61 AB8C47D61 -320.48 8.38 -8.2 -0.84 0
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162524 57394943 1 BrSN3O4H14C19 ABC3D4E14F19 -62.8 6.58 -8.58 -1.44 0
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162525 57394946 1 ClN4O12C49H81 AB4C12D49E81 -586.5 4.13 -8.71 -0.8 0
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162526 57394947 1 ClON3C15H24 ABC3D15E24 -58.29 3.26 -8.21 0.03 0
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162527 57394948 1 SN4O4C19H28 AB4C4D19E28 -119.43 6.81 -9.09 -0.29 -4
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162528 57394954 1 P4N10C21O21H26 A4B10C21D21E26 -766.82 9.26 -8.89 -2.57 -3
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162529 57394957 1 P3N10O18C22H28 A3B10C18D22E28 -712.83 6.9 0.0 0.0 0
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162530 57394958 1 NO5C27H37 AB5C27D37 -189.4 1.45 -8.67 -0.24 0
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162531 57394961 1 BrO2N4H17C18 AB2C4D17E18 24.76 3.58 -9.27 -0.93 0
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162532 57394962 1 ClNO2H10C13 ABC2D10E13 -15.52 4.84 -9.36 -1.41 0
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162533 57394970 1 O2F3N3C25H34 A2B3C3D25E34 -225.9 7.11 -9.45 -0.89 0
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162534 57394971 1 ON4C28H36 AB4C28D36 -1.81 2.86 -8.32 0.11 0