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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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233029 87691505 1 SN2O2H4C7 AB2C2D4E7 0.53 1.99 -9.57 -2.13 0
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233030 87691545 1 ClNO5C9H16 ABC5D9E16 -202.36 3.09 -10.09 -1.4 0
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233031 87691557 1 S6O7C34H40 A6B7C34D40 -219.63 5.15 -7.66 -0.35 0
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233032 87691583 1 O3C8H10 A3B8C10 -76.88 5.05 -10.11 -0.74 0
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233033 87691590 1 LiNS2O4C6F14 ABC2D4E6F14 -897.89 5.25 -11.39 -1.38 0
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233034 87691593 1 AsSN2H11C14 ABC2D11E14 145.91 2.82 -8.06 -0.67 1
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233035 87691603 1 SO5C10H19 AB5C10D19 -239.19 6.64 0.0 0.0 0
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233036 87691616 1 NSCl2O7C14H27 ABC2D7E14F27 -301.23 4.7 -10.02 -1.28 0
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233037 87691635 1 O6C17H34 A6B17C34 -286.52 2.95 -9.56 1.6 0
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233038 87691639 1 ClNS2O8C12H26 ABC2D8E12F26 -342.3 6.78 -9.87 -0.16 0
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233039 87691649 1 ClNSO5C9H20 ABCD5E9F20 -231.46 4.3 -9.94 -0.21 1
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233040 87691670 1 BrSN2H10C13 ABC2D10E13 100.24 3.53 0.0 0.0 0
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233041 87691672 1 NO4C10H13 AB4C10D13 -115.53 2.85 -10.07 -1.38 0
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233042 87691697 1 ClO4N8H23C24 AB4C8D23E24 -71.56 5.95 -8.81 -1.05 3
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233043 87691722 1 PN3O4C18H45 AB3C4D18E45 -204.03 5.32 0.0 0.0 -1
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233044 87691723 1 NPO4C6H15 ABC4D6E15 -175.08 14.55 0.0 0.0 0
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233045 87691780 1 ClO2N6C18H21 AB2C6D18E21 -3.3 3.0 -8.84 -0.77 0
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233046 87691792 1 FN2C14H21 AB2C14D21 3.69 3.82 -8.89 0.3 0
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233047 87691805 1 Si4O9C29H68 A4B9C29D68 -698.1 0.88 -8.72 0.74 0
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233048 87691834 1 S3N9F11O15H58C66 A3B9C11D15E58F66 -955.57 7.18 -8.4 -1.41 0
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233049 87691856 1 SO6C8H10 AB6C8D10 -201.91 4.04 -10.8 -0.9 0
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233050 87691879 1 N2S2O6C17H18 A2B2C6D17E18 -169.51 6.81 -9.51 -0.69 0
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233051 87691911 1 AsO2N4C23H23 AB2C4D23E23 50.81 4.42 -8.02 -0.88 0
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233052 87691927 1 ON3C21H31 AB3C21D31 -24.62 3.03 -8.38 -0.09 0
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233053 87691967 1 OCl4N7H19C31 AB4C7D19E31 145.22 10.57 -9.16 -1.71 0
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233055 87692032 2 OC4H8 AB4C8 -110.61 1.1 -8.98 1.35 0
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233056 87692159 2 SCl3H6C12 AB3C6D12 67.86 0.93 -9.29 -1.83 0
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233057 87692259 1 S2O3N4C31H48 A2B3C4D31E48 -157.92 4.26 -8.71 -0.38 0
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233058 87692298 1 NO4C14H19 AB4C14D19 -122.19 8.7 -9.9 -0.72 0
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233059 87692318 1 ClO3N4C15H19 AB3C4D15E19 -88.05 3.61 -9.5 -1.2 -2
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233060 87692330 1 SiTiCl2C16H24 ABC2D16E24 61.03 6.43 -7.14 -2.11 0
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233061 87692359 1 ClF5N6O6C22H26 AB5C6D6E22F26 -444.38 9.02 -9.4 -1.69 0
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233062 87692373 1 PtN2O4C8H12 AB2C4D8E12 -9.32 4.38 -9.73 -1.67 0
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233063 87692374 2 NO2C4H6 AB2C4D6 -84.37 5.09 -10.39 -1.46 0
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233064 87692375 1 SrO3H4C7 AB3C4D7 -97.3 14.95 -8.25 -1.86 0
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233065 87692376 1 NaN3S3O12H28C31 AB3C3D12E28F31 -424.49 6.49 -8.22 -1.34 0
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233066 87692377 1 N3S3O12H29C31 A3B3C12D29E31 -353.09 4.59 -8.29 -1.53 0
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233067 87692378 1 BrON2H13C17 ABC2D13E17 48.86 5.74 -9.29 -1.19 0
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233068 87692379 1 NaN3S3O12C31H31 AB3C3D12E31F31 -411.86 35.7 0.0 0.0 0
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233069 87692380 1 N3S3O12C31H31 A3B3C12D31E31 -355.12 6.58 -8.37 -1.43 0
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233070 87692381 1 NaN3S3O12H28C31 AB3C3D12E28F31 -401.92 16.37 -8.05 -1.42 0
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233071 87692382 1 N3S3O12H29C31 A3B3C12D29E31 -334.8 8.84 -8.28 -1.52 0
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233072 87692383 1 FSCl2N3O3C22H22 ABC2D3E3F22G22 -141.04 1.83 -9.23 -1.1 0
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233073 87692384 1 ClFSN3O3H21C22 ABCD3E3F21G22 -102.62 3.1 -9.02 -0.98 0
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233074 87692385 1 NF3O3C6H10 AB3C3D6E10 -312.63 5.02 -11.11 0.01 0
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233075 87692386 1 NF3O3C6H10 AB3C3D6E10 -317.54 0.71 -10.8 0.45 0
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233076 87692387 1 SSiC3O3H6 ABC3D3E6 -63.03 7.14 -8.5 -1.95 0
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233077 87692388 1 SSiC3O3H5 ABC3D3E5 -57.93 2.44 0.0 0.0 0
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233078 87692389 1 SSiC3O3H5 ABC3D3E5 -39.32 6.37 0.0 0.0 0
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233079 87692390 1 ON2C10H10 AB2C10D10 21.13 3.68 -9.58 -0.49 0