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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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141951 52956607 1 N5H21C28 A5B21C28 204.07 5.66 -8.55 -1.39 0
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141952 52956608 1 SO2N4C27H28 AB2C4D27E28 32.35 9.45 -8.96 -1.13 1
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141953 52956609 1 SN4O4C24H35 AB4C4D24E35 -151.24 5.13 0.0 0.0 0
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141954 52956610 2 O2N4C8H9 A2B4C8D9 -4.0 7.21 -9.33 -2.1 0
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141955 52957142 1 ON6C20H28 AB6C20D28 -0.85 5.19 -8.6 0.14 1
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141956 52957218 1 SO2N10C25H27 AB2C10D25E27 99.48 1.45 0.0 0.0 0
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141957 52958414 1 SO2N4C19H20 AB2C4D19E20 58.53 5.84 -9.08 -1.99 0
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141958 52958415 1 FSO3N4H17C22 ABC3D4E17F22 14.44 3.47 -8.81 -2.25 0
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141959 52958530 1 O2N3H13C17 A2B3C13D17 60.18 1.74 -8.51 -1.45 0
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141960 52958647 1 ON4C17H30 AB4C17D30 -54.04 1.77 -8.12 0.3 0
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141961 52959277 1 ClSO2N4H19C23 ABC2D4E19F23 80.91 5.09 -9.1 -1.95 0
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141962 52959312 1 FSN3O4H20C21 ABC3D4E20F21 -102.16 4.97 -8.76 -1.13 0
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141963 52959545 1 ClSN3O3C14H14 ABC3D3E14F14 -56.03 7.81 -9.38 -1.24 0
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141964 52959546 1 O2N4C21H30 A2B4C21D30 -47.61 1.43 -8.24 -0.03 0
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141965 52959547 2 ON2C11H16 AB2C11D16 -58.3 4.77 -8.2 -0.6 1
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141966 52959548 1 N5O6H24C25 A5B6C24D25 -77.74 2.11 0.0 0.0 0
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141967 52959549 1 SO3N4C18H18 AB3C4D18E18 30.8 2.36 -9.35 -2.19 0
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141968 52959563 1 ON7C18H29 AB7C18D29 -10.76 6.98 -8.7 0.24 0
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141969 52959638 1 ON4C22H32 AB4C22D32 -23.28 2.72 -8.12 -0.45 0
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141970 52959748 1 O3N6H26C27 A3B6C26D27 27.81 1.26 -8.52 -1.05 1
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141971 52960196 1 ClO3N4C25H30 AB3C4D25E30 -57.53 7.29 0.0 0.0 1
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141972 52960197 1 O3N4C25H29 A3B4C25D29 -50.91 5.17 0.0 0.0 0
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141973 52960335 1 FSN2O3H13C19 ABC2D3E13F19 -45.63 8.35 -9.17 -1.95 0
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141974 52960336 1 ON7C23H33 AB7C23D33 32.17 5.28 -8.11 0.22 0
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141975 52960337 1 SO3N4C15H18 AB3C4D15E18 -59.51 7.74 -8.95 -1.48 0