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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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150332 53790020 1 NO12H37C38 AB12C37D38 -354.36 5.4 -9.15 -1.0 0
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150333 53790021 1 NO2C20H21 AB2C20D21 -11.17 6.41 -9.25 -0.89 0
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150334 53790022 5 OC4H6 AB4C6 -238.85 5.66 -9.95 -0.22 0
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150335 53790023 5 OC4H6 AB4C6 -240.37 5.62 -10.18 -0.01 0
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150336 53790024 1 O5C13H16 A5B13C16 -207.77 3.2 -9.14 -0.03 0
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150337 53790025 1 O5C13H16 A5B13C16 -207.2 2.81 -9.03 0.1 0
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150338 53790026 1 O5C13H16 A5B13C16 -206.48 2.56 -8.96 0.14 0
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150339 53790027 1 O2N5C13H13 A2B5C13D13 18.49 3.96 -9.48 -1.2 0
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150340 53790028 1 OCl2H2C3 AB2C2D3 -6.03 3.36 -11.13 -0.61 -1
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150341 53790029 1 NSO2C12H12 ABC2D12E12 -20.55 3.08 0.0 0.0 0
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150342 53790030 1 NSO2C12H13 ABC2D12E13 -41.85 2.43 -8.45 -0.57 0
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150343 53790031 1 BrPF2N3O3C36H39 ABC2D3E3F36G39 -190.27 4.24 -9.22 -0.61 0
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150344 53790032 1 N3O5C25H29 A3B5C25D29 -155.0 6.41 -8.44 -0.76 0
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150345 53790033 1 OF3N8H9C20 AB3C8D9E20 82.35 3.99 -9.22 -2.02 0
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150346 53790034 1 O2C7H16 A2B7C16 -118.25 2.15 -9.56 2.32 0
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150347 53790035 1 SN2O6C22H34 AB2C6D22E34 -271.56 8.15 -9.04 -0.75 0
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150348 53790036 1 ClOC14H15 ABC14D15 -36.24 3.85 -9.62 -0.09 0
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150349 53790037 1 ClOSN2C14H15 ABCD2E14F15 5.8 2.16 -9.04 -0.38 0
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150350 53790038 1 NO6C12H13 AB6C12D13 -135.15 2.87 -9.66 -1.42 0
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150351 53790039 1 NO3H9C12 AB3C9D12 -35.46 6.24 -9.7 -1.15 0
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150352 53790040 1 N2O2C15H16 A2B2C15D16 -30.14 1.27 -9.26 -0.99 0
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150353 53790041 1 NO5C21H29 AB5C21D29 -193.29 4.18 -8.34 0.22 0
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150354 53790042 1 NSO2C25H31 ABC2D25E31 -43.03 3.85 -8.57 -0.31 0
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150355 53790043 1 N5O12C25H43 A5B12C25D43 -566.54 8.39 -9.87 -0.29 0
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150356 53790044 1 FIN2O7H18C23 ABC2D7E18F23 -257.65 7.37 -9.76 -1.62 0
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150357 53790045 1 O3N4C23H30 A3B4C23D30 -92.9 6.89 -8.8 -0.67 0
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150358 53790046 1 NC18H37 AB18C37 -73.32 1.65 -8.77 3.26 0
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150359 53790047 2 NO6C13H20 AB6C13D20 -515.43 7.65 -9.94 -0.77 0
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150360 53790048 1 NO3H15C16 AB3C15D16 -50.15 2.55 -8.98 -0.23 0
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150361 53790050 1 SN2O2C19H22 AB2C2D19E22 38.84 5.11 -9.19 -1.53 0
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150362 53790051 1 O7C14H26 A7B14C26 -330.0 2.34 -10.09 -1.11 0
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150363 53790052 1 O7C14H26 A7B14C26 -317.92 2.33 -9.87 -1.13 0
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150364 53790053 1 NO4H19C21 AB4C19D21 -17.56 4.27 -9.59 -0.86 0
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150365 53790054 1 NO2C11H13 AB2C11D13 7.93 5.18 -9.26 -0.99 0
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150366 53790055 1 ClBr2O2C20H23 AB2C2D20E23 -62.86 3.82 -9.36 -0.59 0
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150367 53790056 1 ClBr2O2C20H23 AB2C2D20E23 -62.86 3.13 -9.39 -0.58 0
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150368 53790057 1 O2N5C26H27 A2B5C26D27 63.59 3.26 -8.26 -0.74 0
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150369 53790058 1 NO6C14H15 AB6C14D15 -123.59 9.03 -9.63 -1.45 0
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150370 53790059 2 O5H13C14 A5B13C14 -357.39 7.29 -11.16 -2.4 0
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150371 53790060 2 NO3C6H8 AB3C6D8 -248.98 9.08 -9.1 -0.77 0
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150372 53790061 1 SN4O8C19H28 AB4C8D19E28 -300.43 9.84 -9.1 -1.15 0
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150373 53790062 1 OC16H26 AB16C26 -59.49 3.86 -8.89 0.42 0
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150374 53790063 1 SN3O5C28H35 AB3C5D28E35 -193.38 1.82 -8.44 -0.37 0
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150375 53790064 1 NO5C16H17 AB5C16D17 -98.96 2.68 -9.4 -0.95 0
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150376 53790065 1 FO2C33H43 AB2C33D43 -121.62 1.36 -8.47 -0.36 0
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150377 53790066 1 ClNO3C23H26 ABC3D23E26 -100.28 3.33 -8.21 -0.38 0
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150379 53790068 1 SN3O4C14H15 AB3C4D14E15 -106.94 4.86 -9.02 -1.56 0
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150380 53790069 1 N3S3O6C18H29 A3B3C6D18E29 -192.95 1.94 -8.57 -0.28 0
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150381 53790070 1 NF3O4H24C27 AB3C4D24E27 -237.9 4.18 -9.22 -0.68 0
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150382 53790071 1 BN3C8H16 AB3C8D16 -19.14 3.45 -8.09 1.3 0