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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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222017 85293414 1 NO8C24H33 AB8C24D33 -352.94 0.72 -9.63 -0.11 0
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222018 85293416 1 SO3N5C23H37 AB3C5D23E37 -127.07 3.46 -9.35 -1.39 0
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222019 85293429 1 ClNO4C27H28 ABC4D27E28 -81.25 4.67 -8.3 -1.54 0
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222020 85293434 1 N2O7C24H38 A2B7C24D38 -327.5 4.0 -9.62 0.1 0
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222021 85293446 1 NPSC30H30 ABCD30E30 87.73 1.39 -8.07 0.04 0
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222023 85293466 2 NSO3H9C11 ABC3D9E11 -161.01 3.42 -9.01 -0.83 0
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222024 85293480 1 FN3O5H20C26 AB3C5D20E26 -122.38 2.91 -9.64 -0.79 0
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222025 85293482 1 NSiO6C25H35 ABC6D25E35 -294.27 2.36 -8.92 -0.28 0
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222026 85293489 1 O11C22H34 A11B22C34 -525.85 3.81 -9.88 0.39 0
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222027 85293497 1 SiO5C27H44 AB5C27D44 -288.94 2.64 -8.72 0.5 0
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222028 85293506 1 SSiO4C26H42 ABC4D26E42 -98.04 6.61 -8.63 0.75 1
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222029 85293517 1 OS2N6C24H29 AB2C6D24E29 91.5 5.4 0.0 0.0 0
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222031 85293524 1 O3H26C34 A3B26C34 13.86 2.5 -8.4 -1.11 0
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222032 85293528 1 SiO3C30H46 AB3C30D46 -124.05 3.24 -8.63 0.11 0
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222033 85293529 1 NO8C26H29 AB8C26D29 -164.4 3.08 -8.91 -0.98 0
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222034 85293531 1 N3O6C26H33 A3B6C26D33 -243.25 4.77 -9.65 -0.38 0
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222035 85293532 1 NO4C31H33 AB4C31D33 -105.24 1.21 -8.64 -0.99 2
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222036 85293537 2 O2N4H9C12 A2B4C9D12 53.52 15.61 -6.88 -2.62 0
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222037 85293544 1 N3O6C26H35 A3B6C26D35 -149.44 4.97 -9.21 -0.06 0
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222038 85293550 1 ClNO5C27H32 ABC5D27E32 -201.26 3.53 -9.34 -0.83 0
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222039 85293561 1 ClSN3O6H18C22 ABC3D6E18F22 -88.07 5.84 -9.44 -1.4 0
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222041 85293582 1 INSO4C19H26 ABCD4E19F26 -149.02 5.02 -9.34 -0.88 0
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222042 85293584 1 NO2C34H37 AB2C34D37 -14.04 3.62 -8.46 0.18 0
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222043 85293587 1 BrNO6C23H26 ABC6D23E26 -167.62 3.3 -8.69 -0.35 0
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222044 85293589 1 ISiO3C21H37 ABC3D21E37 -187.25 2.18 -8.77 -0.7 0
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222045 85293595 1 NF3O5C26H30 AB3C5D26E30 -329.52 6.33 -9.35 -0.47 0
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222046 85293606 1 SSiO5C26H42 ABC5D26E42 -265.82 3.05 -8.74 -0.6 0
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222047 85293615 2 NO3C14H18 AB3C14D18 -201.61 1.38 -9.11 -0.04 0
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222048 85293618 1 ClNO5C28H32 ABC5D28E32 -126.18 2.86 -8.12 -0.99 0
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222049 85293649 1 SiO4C31H38 AB4C31D38 -141.62 1.46 -9.43 0.18 0
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222051 85293669 1 S2O7C24H42 A2B7C24D42 -324.15 1.96 -8.88 -0.05 0
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222052 85293672 1 NSO8C25H33 ABC8D25E33 -281.15 6.2 -9.79 -0.44 0
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222053 85293677 1 FPO6C26H50 ABC6D26E50 -454.65 2.2 -9.56 0.62 0
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222054 85293679 1 N3O4C31H31 A3B4C31D31 27.57 6.02 -8.24 -1.66 0
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222056 85293682 1 NSiO5C29H39 ABC5D29E39 -222.78 2.54 -9.04 0.21 0
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222057 85293684 1 SN2O8C24H34 AB2C8D24E34 -336.47 6.61 -9.49 -0.32 0
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222058 85293692 1 SN3O4C28H37 AB3C4D28E37 -153.1 2.07 -8.83 0.09 0
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222059 85293698 1 ClPN4O8C20H22 ABC4D8E20F22 -340.44 5.52 -9.57 -0.92 0
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222060 85293717 1 O5N6C27H28 A5B6C27D28 -102.99 4.15 -9.09 -0.84 0
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222061 85293718 1 PSiO6C27H37 ABC6D27E37 -303.09 3.93 -8.79 0.26 0
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222062 85293719 1 O7C30H44 A7B30C44 -332.11 4.32 -9.64 -0.52 0
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222063 85293727 1 SiO4C32H42 AB4C32D42 -148.99 2.17 -8.92 0.17 0
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222064 85293738 2 O4C15H16 A4B15C16 -244.89 8.03 -8.72 -0.17 0
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222065 85293742 1 N2O3C34H36 A2B3C34D36 -27.05 6.49 -8.4 -0.34 0
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222066 85293743 1 SN2O8C24H44 AB2C8D24E44 -439.04 3.68 -9.46 0.08 0
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222067 85293754 1 NO6H29C32 AB6C29D32 -95.9 4.81 -8.99 -0.92 0
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222068 85293756 1 S2N4O9C20H20 A2B4C9D20E20 -203.92 2.7 -9.46 -1.48 0
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222069 85293758 1 SSiO5C29H36 ABC5D29E36 -180.73 4.2 -8.99 -0.7 0
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222070 85293760 1 NSO5C12H13 ABC5D12E13 -163.35 7.49 -9.93 -0.75 0
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222071 85293761 1 SiO5C31H44 AB5C31D44 -253.99 2.34 -8.98 0.08 0