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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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82407 49855994 1 N2O2H10C13 A2B2C10D13 2.56 6.05 -9.24 -0.93 0
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82408 49855995 2 NO2C9H9 AB2C9D9 -105.94 6.64 -9.48 -1.13 0
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82409 49855997 2 NO2C9H9 AB2C9D9 -110.33 5.23 -9.4 -1.3 0
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82410 49855999 2 NO2C9H9 AB2C9D9 -107.88 6.65 -9.7 -1.15 0
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82411 49856000 1 N2O2H10C13 A2B2C10D13 -2.63 4.44 -9.31 -1.03 0
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82412 49856002 1 N2O7C21H22 A2B7C21D22 -240.01 3.68 -8.98 -0.8 0
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82413 49856003 1 O3N5C29H29 A3B5C29D29 -40.23 3.57 -9.01 -0.64 0
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82414 49856005 4 NOC4H4 ABC4D4 -122.3 10.43 -9.41 -0.72 0
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82415 49856006 1 FON2H7C9 ABC2D7E9 9.09 3.21 -9.39 -1.34 0
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82416 49856007 1 FN2C13H17 AB2C13D17 -19.61 4.45 -8.43 -0.14 0
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82417 49856009 1 FN2C12H15 AB2C12D15 -19.8 2.59 -8.58 -0.29 0
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82418 49856010 1 FN2C13H17 AB2C13D17 -21.07 4.07 -8.26 0.0 0
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82419 49856011 1 NOC15H27 ABC15D27 -81.2 3.31 -8.89 0.79 4
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82421 49856013 1 SN5O9C39H47 AB5C9D39E47 -298.48 8.65 -9.07 -1.06 0
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82422 49856014 1 SN5O9C40H49 AB5C9D40E49 -308.88 8.62 -9.02 -0.8 0
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82423 49856015 1 SF2N5O9C39H45 AB2C5D9E39F45 -402.58 5.0 -8.98 -0.75 0
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82424 49856016 1 SF2N5O9C41H53 AB2C5D9E41F53 -429.19 4.61 -9.29 -0.62 0
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82425 49856017 1 SF2N4O9C42H54 AB2C4D9E42F54 -435.14 10.13 -9.07 -0.37 0
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82426 49856018 1 SF4N5O8C35H47 AB4C5D8E35F47 -510.87 11.67 -9.85 -0.71 0
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82430 49856022 2 NO2C19H33 AB2C19D33 -249.81 2.23 -8.82 1.72 0
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82431 49856023 2 NO3C19H31 AB3C19D31 -337.11 3.69 -9.49 0.75 0
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82432 49856024 1 SN2O5C24H24 AB2C5D24E24 -100.64 5.64 -9.1 -0.73 0
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82433 49856025 1 ClSO2N3H20C21 ABC2D3E20F21 13.81 3.0 -8.75 -0.77 0
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82434 49856026 1 N2O2C19H20 A2B2C19D20 11.59 4.88 -9.14 -0.52 0
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82435 49856027 1 PN5O10C45H50 AB5C10D45E50 -397.44 4.17 -9.1 -0.69 0
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82436 49856028 2 O3C24H46 A3B24C46 -466.2 2.26 -10.34 0.57 0
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82437 49856029 2 O3C22H42 A3B22C42 -448.79 4.51 -10.62 0.49 0
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82438 49856030 2 O3C24H44 A3B24C44 -418.68 3.87 -9.55 0.6 0
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82439 49856031 6 OC8H14 AB8C14 -320.56 1.17 -7.15 0.31 0
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82440 49856032 1 O6N9H45C47 A6B9C45D47 -69.09 8.01 -8.58 -0.6 0
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82441 49856034 1 O5N8C40H40 A5B8C40D40 -60.43 8.91 -8.72 -0.7 0
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82442 49856035 1 SN2O4H18C20 AB2C4D18E20 -99.02 6.9 -8.84 -0.86 0
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82443 49856037 1 O4N5C22H27 A4B5C22D27 -80.29 2.73 -8.91 -1.16 0
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82444 49856038 1 O4N5C22H27 A4B5C22D27 -79.7 4.84 -8.92 -1.11 0
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82445 49856040 3 ON2C8H10 AB2C8D10 -57.9 8.32 -8.83 -0.9 0
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82451 49856046 1 ClNNaOC12H17 ABCDE12F17 -63.64 7.21 -8.1 0.71 0
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82452 49856048 1 O15C25H26 A15B25C26 -573.55 6.3 -9.28 -1.39 0
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82453 49856049 1 O15C25H26 A15B25C26 -566.52 7.47 -9.23 -1.32 0
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82454 49856050 1 O4C27H44 A4B27C44 -220.44 2.66 -9.44 0.56 0
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82455 49856051 1 PO3N5C32H34 AB3C5D32E34 -35.62 8.82 -8.54 -0.97 0
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82456 49856053 1 BrFPO3N4H29C31 ABCD3E4F29G31 -68.53 5.59 -8.64 -1.12 0
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82457 49856054 1 ClPO4N5H29C30 ABC4D5E29F30 -28.15 5.19 -8.6 -1.16 0
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82458 49856055 1 O6C23H32 A6B23C32 -277.56 5.97 -8.54 0.19 0
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82459 49856058 2 O3C8H11 A3B8C11 -259.13 6.41 -8.64 0.03 0
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82460 49856059 1 O6C17H24 A6B17C24 -270.42 3.14 -8.63 0.01 0
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82461 49856060 3 O2C5H6 A2B5C6 -238.16 2.71 -9.07 -0.47 0
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82462 49856061 1 O2N4C21H22 A2B4C21D22 2.62 1.78 -9.0 -0.13 0
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82463 49856062 1 OSN5C17H19 ABC5D17E19 42.82 4.61 -8.84 -1.38 0
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82464 49856063 1 OSN5C19H23 ABC5D19E23 30.38 6.64 -9.06 -1.28 0
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82465 49856064 1 OSN5C21H27 ABC5D21E27 14.78 4.67 -9.13 -1.34 0
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82466 49856065 1 OSN5C17H19 ABC5D17E19 48.92 4.59 -8.85 -1.32 0
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82467 49856068 1 ON5C17H21 AB5C17D21 -5.4 7.08 -9.57 -1.16 0
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82468 49856070 1 ON5H21C22 AB5C21D22 79.51 5.4 -8.67 -0.66 0
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82469 49856071 1 ClN5H20C22 AB5C20D22 109.86 5.88 -9.36 -0.65 0
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82470 49856072 1 ON4C24H24 AB4C24D24 67.25 6.04 -8.7 -0.38 0
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82471 49856073 1 N5H23C25 A5B23C25 161.76 2.54 -9.07 -0.42 0
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82472 49856074 1 ClO2N3C19H20 AB2C3D19E20 -13.11 3.05 -8.89 -0.3 0
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82473 49856075 2 SN2O4H12C15 AB2C4D12E15 -104.47 17.65 -9.5 -1.74 0
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82474 49856076 1 S2N3O5C26H27 A2B3C5D26E27 -106.9 7.72 -9.31 -1.52 0
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82475 49856079 1 S2F3N3O7H22C30 A2B3C3D7E22F30 -235.99 14.48 -9.63 -1.84 0
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82476 49856080 1 OSF3N4C27H29 ABC3D4E27F29 -148.34 3.21 -9.04 -1.07 0
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82477 49856081 1 O5C21H22 A5B21C22 -157.32 5.23 -8.81 -0.86 0
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82478 49856082 1 NI3O4H14C16 AB3C4D14E16 -63.44 3.06 -8.92 -1.4 0
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82479 49856083 1 N3O4C25H33 A3B4C25D33 -108.71 2.98 -8.63 -0.43 0
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82480 49856084 1 N3O4C22H33 A3B4C22D33 -153.15 5.89 -8.7 -0.46 0
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82481 49856085 1 N3O4C25H37 A3B4C25D37 -155.34 2.21 -8.66 -0.38 0
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82482 49856086 1 O3N4C26H36 A3B4C26D36 -80.93 2.75 -8.67 -0.39 0
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82483 49856087 1 N3O3C20H29 A3B3C20D29 -107.48 6.9 -8.88 -0.42 0
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82484 49856088 1 FN2O2C24H29 AB2C2D24E29 -85.29 4.85 -8.65 -0.4 0
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82485 49856089 1 ClO2N7H18C23 AB2C7D18E23 97.77 5.41 -8.34 -1.3 0
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82486 49856090 1 ClO3N7C22H24 AB3C7D22E24 -11.47 3.4 -8.31 -1.23 0
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82487 49856091 1 ClFO3N8H18C21 ABC3D8E18F21 -0.46 2.28 -8.35 -1.47 0
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82488 49856092 1 ClO4N7C23H24 AB4C7D23E24 -46.77 10.42 -8.43 -1.63 0
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82489 49856093 1 ClO2N7H10C15 AB2C7D10E15 66.38 8.8 -8.85 -1.69 0
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82490 49856095 1 O3N5H27C29 A3B5C27D29 17.37 7.09 -9.28 -1.42 0