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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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173387 75633229 1 ON3C19H19 AB3C19D19 55.77 3.58 -8.77 -0.27 0
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173388 75633242 1 SN4C16H18 AB4C16D18 105.7 7.02 -8.79 -0.74 0
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173389 75633243 1 O2F3N3H24C30 A2B3C3D24E30 -116.81 9.31 -9.16 -0.71 0
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173390 75633244 1 O2N3C27H29 A2B3C27D29 -15.58 4.45 -8.89 -0.28 0
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173391 75633245 1 ClSN2O5C24H25 ABC2D5E24F25 -143.19 5.52 -9.21 -0.93 0
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173392 75633378 1 O3N4C23H24 A3B4C23D24 -49.89 2.75 -8.88 -0.31 0
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173393 75633403 1 O3N4C19H24 A3B4C19D24 -86.58 1.33 -8.9 -0.33 0
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173394 75633404 1 ClO3N4C24H25 AB3C4D24E25 -61.52 3.12 -8.88 -0.28 0
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173395 75633405 1 O3N4C25H28 A3B4C25D28 -56.2 0.93 -8.94 -0.36 0
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173396 75633406 2 N2O2C12H13 A2B2C12D13 -82.91 2.0 -8.81 -0.28 2
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173397 75633647 1 FN3O3H18C21 AB3C3D18E21 -92.86 6.74 -8.84 -0.6 2
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173398 75633671 1 FN3O3C22H22 AB3C3D22E22 -114.82 7.91 -8.77 -0.55 2
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173399 75633672 1 F2N3O3H17C20 A2B3C3D17E20 -148.98 3.93 -9.09 -0.82 -1
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173400 75634363 1 SN2O2C15H17 AB2C2D15E17 -15.26 2.82 0.0 0.0 1
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173401 75634420 1 O2N4C19H25 A2B4C19D25 25.98 4.76 0.0 0.0 -1
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173402 75634665 1 SN3O3H12C16 AB3C3D12E16 23.41 8.84 0.0 0.0 1
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173403 75635340 1 O3N5C23H28 A3B5C23D28 -88.46 3.81 0.0 0.0 1
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173404 75635380 1 O2N5C19H36 A2B5C19D36 -119.6 7.25 0.0 0.0 1
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173405 75635552 1 O2N4C18H23 A2B4C18D23 63.41 16.4 0.0 0.0 -1
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173406 75635848 1 Cl2N3O5H20C26 A2B3C5D20E26 -78.61 22.7 0.0 0.0 1
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173407 75635931 1 OSN4C30H31 ABC4D30E31 94.63 13.66 0.0 0.0 -1
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173408 75635943 1 NO5H22C25 AB5C22D25 -76.33 4.2 0.0 0.0 1
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173409 75636754 1 O4N5F6H22C23 A4B5C6D22E23 -389.11 7.77 0.0 0.0 1
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173410 75636907 1 O5N6C29H43 A5B6C29D43 -141.42 10.05 0.0 0.0 0
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173411 75636908 1 O5N6C29H42 A5B6C29D42 -146.65 10.14 -9.12 -0.55 1
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173412 75636909 1 FO3N6C30H44 AB3C6D30E44 -115.91 5.51 0.0 0.0 0
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173413 75636910 1 FO3N6C30H43 AB3C6D30E43 -120.37 7.89 -9.13 -0.2 1
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173414 75637043 1 O2N5C7H14 A2B5C7D14 -60.24 3.04 0.0 0.0 -1
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173415 75637044 3 NOC5H8 ABC5D8 -111.57 13.6 0.0 0.0 0
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173416 75637045 1 N3O3C15H25 A3B3C15D25 -163.53 7.54 -9.65 0.64 1
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173417 75637046 1 N4C21H25 A4B21C25 144.19 26.02 0.0 0.0 -1
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173418 75637047 1 O2N4H13C17 A2B4C13D17 40.46 5.74 0.0 0.0 -1
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173419 75637048 1 O3N4H15C18 A3B4C15D18 0.69 6.42 0.0 0.0 -1
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173420 75637049 1 ON2C14H15 AB2C14D15 24.67 6.13 0.0 0.0 1
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173421 75637050 1 N3O3C11H18 A3B3C11D18 -100.31 6.06 0.0 0.0 -1
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173422 75637051 1 ClFO2N4H11C17 ABC2D4E11F17 -14.48 6.28 0.0 0.0 1
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173423 75637052 1 ClON5C9H9 ABC5D9E9 70.45 5.05 0.0 0.0 -1
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173424 75637053 1 N3O6H14C19 A3B6C14D19 -29.38 9.83 0.0 0.0 0
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173425 75637054 1 IO2N3C17H26 AB2C3D17E26 -100.94 6.27 -9.47 -0.86 1
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173426 75637055 1 FSN3O3C26H29 ABC3D3E26F29 -67.06 5.84 0.0 0.0 0
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173427 75637056 1 BrO2N4H17C19 AB2C4D17E19 59.23 6.04 -8.7 -1.0 -1
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173428 75637057 1 FNO4H15C19 ABC4D15E19 -94.25 9.62 0.0 0.0 -1
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173429 75637058 1 ClSO3N4H12C18 ABC3D4E12F18 -0.82 6.08 0.0 0.0 -1
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173430 75637059 1 ON2S2H9C11 AB2C2D9E11 53.29 6.4 0.0 0.0 1
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173431 75637060 1 SO2N4H23C24 AB2C4D23E24 32.61 9.68 0.0 0.0 1
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173432 75637061 1 O2N4C17H19 A2B4C17D19 -18.74 4.14 0.0 0.0 1
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173433 75637062 1 ON5C7H16 AB5C7D16 -20.57 6.82 0.0 0.0 0
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173434 75637464 1 ClFN5H11C16 ABC5D11E16 101.08 7.54 -10.04 -1.63 0
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173435 75637465 1 S2O3N4H26C32 A2B3C4D26E32 40.88 8.95 -8.68 -1.4 0
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173436 75637856 1 NO2H7C9 AB2C7D9 12.33 2.57 -9.94 -0.76 -1