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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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325047 126679385 1 ON2H30C52 AB2C30D52 217.77 1.64 -8.05 -1.17 0
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325048 126679390 1 ON4H34C56 AB4C34D56 252.42 5.45 -7.97 -1.18 0
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325049 126679392 1 ON2H30C52 AB2C30D52 218.07 2.21 -8.03 -1.19 0
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325050 126679399 1 ON2H18C30 AB2C18D30 109.16 2.83 -8.0 -0.66 0
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325051 126679408 1 N3O7C12H27 A3B7C12D27 -335.74 5.56 -9.26 0.46 0
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325052 126679409 1 N5O12C22H43 A5B12C22D43 -560.5 7.17 -9.24 0.38 0
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325053 126679410 1 FNC18H38 ABC18D38 -133.49 3.5 -8.79 3.16 0
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325054 126679411 1 SN3O9C38H45 AB3C9D38E45 -352.36 2.38 -8.66 -0.74 0
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325055 126679412 1 SN3O5H25C27 AB3C5D25E27 -75.12 3.76 -9.06 -0.92 1
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325056 126679413 1 O4N5C19H24 A4B5C19D24 -32.38 7.14 0.0 0.0 0
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325057 126679414 2 NC4H5 AB4C5 33.3 3.45 -8.17 0.37 0
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325058 126679415 1 S4N7O16C45H45 A4B7C16D45E45 -449.69 12.2 -8.4 -1.42 0
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325059 126679416 1 O2N7C49H51 A2B7C49D51 106.51 8.81 -7.92 -0.89 0
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325060 126679417 1 IC13H21 AB13C21 -18.35 2.25 -9.42 -0.53 0
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325061 126679425 1 BrFSO4N6C23H32 ABCD4E6F23G32 -184.42 6.73 -9.02 -0.98 0
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325062 126679429 1 INOH10C11 ABCD10E11 29.15 3.52 -8.36 -0.65 0
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325063 126679441 1 ON5H17C19 AB5C17D19 98.32 2.81 -9.04 -0.92 0
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325064 126679444 1 FSO4N7C27H36 ABC4D7E27F36 -164.78 5.93 -8.86 -1.46 0
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325065 126679606 1 ON4H36C52 AB4C36D52 218.61 4.49 -7.68 -0.87 0
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325066 126679794 1 O2N4C27H30 A2B4C27D30 14.08 3.62 -8.7 -0.86 0
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325067 126679902 1 BrFO4N6C24H34 ABC4D6E24F34 -197.81 7.28 -8.96 -0.92 0
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325068 126679932 1 ClOF3N5C13H13 ABC3D5E13F13 -138.88 5.68 -8.68 -1.22 0
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325069 126679961 1 FON5C18H18 ABC5D18E18 7.74 4.63 -8.54 -0.54 0
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325070 126679979 1 OF3N5H18C19 AB3C5D18E19 -107.14 6.1 -8.58 -0.81 0
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325071 126680003 1 ClO3N6H23C24 AB3C6D23E24 9.15 4.02 -8.9 -1.03 0
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325072 126680008 1 FN3O9C33H46 AB3C9D33E46 -468.66 3.11 -9.33 -0.31 0
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325073 126680063 1 BrClON3H7C10 ABCD3E7F10 39.39 1.89 -9.43 -1.36 0
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325074 126680111 1 ON5H31C45 AB5C31D45 198.26 4.21 -7.86 -0.62 0
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325075 126680119 1 ON5H33C45 AB5C33D45 189.23 3.94 -8.04 -0.76 0
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325076 126680151 1 ON2H28C50 AB2C28D50 210.78 2.96 -7.97 -1.23 0
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325077 126680167 1 ON4H28C48 AB4C28D48 232.61 5.09 -7.92 -1.27 0
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325078 126680174 1 ON4H28C48 AB4C28D48 223.33 3.34 -8.04 -1.14 0
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325079 126680240 1 ON2H26C46 AB2C26D46 195.21 2.85 -8.04 -1.26 0
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325080 126680351 1 O2N4C25H28 A2B4C25D28 19.15 4.96 -8.67 -0.76 0
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325081 126680368 1 ClNC5H8 ABC5D8 6.54 0.66 -8.92 0.23 0
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325082 126680398 1 FON5C18H18 ABC5D18E18 8.7 4.96 -8.51 -0.5 0
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325083 126680400 1 FO2N7H12C15 AB2C7D12E15 55.16 5.83 -8.97 -1.24 0
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325084 126680405 1 SO4N6H12C13 AB4C6D12E13 23.06 4.44 -9.15 -1.9 0
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325085 126680457 1 O2N3C6H11 A2B3C6D11 -57.03 1.14 -9.52 -0.05 0
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325086 126680471 1 BrN2O4C18H23 AB2C4D18E23 -163.06 2.7 -9.72 -0.77 0
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325087 126680505 1 SN3C24H27 AB3C24D27 59.78 3.62 -7.51 -0.24 0
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325088 126680558 1 FN4C19H19 AB4C19D19 15.56 0.31 -8.32 -0.45 0
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325089 126680568 1 ON5C16H21 AB5C16D21 13.6 5.32 -8.53 0.16 0
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325090 126680595 2 ON3C8H9 AB3C8D9 50.98 6.12 -8.59 -0.86 0
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325091 126680600 1 NO4C10H15 AB4C10D15 -119.08 2.49 -9.98 -0.13 0
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325092 126680602 2 O3C10H11 A3B10C11 -241.25 10.36 -9.57 -0.7 0
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325093 126680607 2 F2O2N3C20H23 A2B2C3D20E23 -288.31 5.03 -8.53 -0.64 0
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325094 126680608 1 FN4O4C19H25 AB4C4D19E25 -194.4 6.77 -8.76 -0.22 0
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325095 126680609 1 N3C28H31 A3B28C31 72.71 3.16 -9.0 -0.4 0
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325096 126680610 1 Cl2F2O2N4C19H20 A2B2C2D4E19F20 -156.79 8.37 -9.32 -1.14 0