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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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221336 85267768 1 NO5C23H35 AB5C23D35 -256.77 6.12 -9.7 0.01 0
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221338 85267776 1 N2F3O5H13C19 A2B3C5D13E19 -184.81 5.92 -9.3 -1.7 1
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221339 85267781 1 NSO2C18H32 ABC2D18E32 -132.47 3.29 0.0 0.0 0
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221340 85267785 1 SO2N6H18C20 AB2C6D18E20 33.94 3.08 -9.12 -0.71 0
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221341 85267786 1 O9C19H34 A9B19C34 -434.09 2.42 -10.1 0.79 0
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221342 85267787 1 O7C22H30 A7B22C30 -298.44 2.8 -9.99 -0.77 0
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221343 85267789 1 O7C22H30 A7B22C30 -280.58 7.61 -9.89 -1.17 0
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221344 85267795 1 N2S2O4C19H22 A2B2C4D19E22 -83.3 3.11 -8.78 -1.13 0
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221345 85267797 1 SiO3C25H30 AB3C25D30 -124.86 2.15 -9.19 -0.01 0
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221346 85267798 1 SiN2O4C21H34 AB2C4D21E34 -163.74 3.34 -8.98 0.25 0
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221347 85267799 1 SiO4C23H38 AB4C23D38 -205.73 4.94 -8.61 0.17 0
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221348 85267800 1 SiO4C23H38 AB4C23D38 -225.96 6.68 -8.87 -0.07 0
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221349 85267801 1 SiO3C24H42 AB3C24D42 -225.71 3.82 -9.34 0.33 0
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221351 85267806 1 BrN2O4C18H19 AB2C4D18E19 -77.55 8.27 -8.4 -0.47 0
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221352 85267808 1 SN3O6C18H21 AB3C6D18E21 -91.54 5.64 -9.7 -1.9 0
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221353 85267809 1 NSF3O4C18H24 ABC3D4E18F24 -308.01 2.38 -8.92 -1.62 0
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221354 85267820 2 NO3H10C11 AB3C10D11 -168.72 7.38 -9.35 -0.99 0
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221355 85267822 1 O7C22H32 A7B22C32 -274.29 2.88 -9.46 0.25 0
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221356 85267831 1 SiO2C26H36 AB2C26D36 -102.7 3.4 -8.91 0.24 0
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221357 85267832 1 SiO2C26H36 AB2C26D36 -102.54 2.9 -8.94 0.18 0
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221358 85267834 1 ClO2H17C27 AB2C17D27 31.83 4.44 -8.86 -1.25 0
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221359 85267836 1 BrF3N4O4H8C12 AB3C4D4E8F12 -186.86 5.05 -9.29 -1.91 2
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221360 85267838 1 FeNO3C22H27 ABC3D22E27 -47.51 7.09 -9.08 -0.67 0
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221361 85267839 1 NO3C17H22 AB3C17D22 -75.86 4.37 0.0 0.0 1
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221362 85271402 1 PC68H108 AB68C108 -74.1 8.09 0.0 0.0 0
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221363 85271857 1 O2C11H18 A2B11C18 -56.99 2.87 -9.95 0.89 0
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221364 85272314 1 NO2C14H17 AB2C14D17 -74.75 5.52 -8.8 0.06 0
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221366 85272316 1 NO2C14H17 AB2C14D17 -34.49 4.16 -9.65 -1.64 0
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221368 85272318 1 NOC15H21 ABC15D21 -40.24 6.77 -8.51 0.47 0
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221370 85272320 1 NC16H25 AB16C25 -15.03 0.79 -8.85 0.35 0
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221371 85272321 1 ClNC13H26 ABC13D26 -80.43 1.04 -9.54 0.99 0
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221373 85272323 1 FN2O2C12H13 AB2C2D12E13 -92.0 0.93 -9.64 -0.17 0
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221374 85272324 1 PO4C10H17 AB4C10D17 -208.47 7.28 -10.02 -0.99 0
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221375 85272325 1 N2O3C12H12 A2B3C12D12 -49.62 4.06 -9.53 -0.66 1
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221376 85272326 1 N2O3C12H13 A2B3C12D13 -46.8 1.31 0.0 0.0 0
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221377 85272327 1 N2O3C12H12 A2B3C12D12 -77.33 4.02 -8.55 -0.06 0
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221378 85272328 1 N2O3C12H12 A2B3C12D12 -34.6 4.46 -8.29 -0.93 0
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221379 85272331 1 ON4C12H16 AB4C12D16 44.69 5.18 -9.35 -0.74 0
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221380 85272332 4 OC3H6 AB3C6 -212.29 5.53 -9.46 1.37 0
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221381 85272333 4 OC3H6 AB3C6 -228.24 3.69 -10.24 0.67 0
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221382 85272334 1 O2C15H20 A2B15C20 -112.95 5.63 -9.83 0.59 0
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221383 85272335 1 O2C15H20 A2B15C20 -35.93 3.52 -9.46 0.26 0
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221384 85272336 1 O2C15H20 A2B15C20 -67.72 1.87 -9.47 0.24 0
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221385 85272339 1 ClN2O3C9H15 AB2C3D9E15 -158.62 1.45 -10.37 -0.36 0
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221386 85272341 1 ClO2C12H21 AB2C12D21 -124.62 2.55 -9.91 0.28 0
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221387 85272345 1 NO3C13H15 AB3C13D15 -93.3 1.3 -9.69 -0.37 0
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221388 85272352 1 NO2S2C9H15 AB2C2D9E15 -65.31 5.79 -8.89 -0.65 0
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221389 85272353 1 IC8H11 AB8C11 43.35 2.85 -9.09 -0.51 0
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221390 85272355 1 FN2O2H11C12 AB2C2D11E12 -52.55 2.51 -8.89 -1.6 0
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221391 85272356 1 N2O5C9H18 A2B5C9D18 -236.85 2.99 -9.71 1.06 0
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221392 85272407 1 NO4C12H15 AB4C12D15 -162.31 5.05 -9.36 -0.21 0
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221393 85272408 1 NO2C15H15 AB2C15D15 -40.37 2.03 -9.34 -0.96 0
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221394 85272409 1 N3O3C11H15 A3B3C11D15 -6.29 3.52 -8.48 -1.33 0
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221395 85272413 1 NO3C13H19 AB3C13D19 -118.53 5.71 -9.25 -0.23 0
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221397 85272434 1 ClN2O2C11H11 AB2C2D11E11 -28.65 5.92 -9.19 -0.7 0
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221398 85272435 1 ClSiC13H19 ABC13D19 -23.02 2.1 -9.57 -0.04 0
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221399 85272479 1 NO2C15H15 AB2C15D15 21.52 3.61 -9.05 0.21 0
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221400 85272480 1 NOSH11C14 ABCD11E14 34.16 4.17 -9.79 -0.92 0
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221402 85272545 1 NO5C11H19 AB5C11D19 -249.46 4.87 -10.29 0.21 0
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221403 85272546 1 FN3C14H16 AB3C14D16 25.7 2.07 -9.3 -0.32 0
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221404 85272549 1 NSC15H19 ABC15D19 65.61 1.64 -8.65 -0.93 0
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221405 85272550 1 NSiO3C11H23 ABC3D11E23 -219.9 3.8 -9.07 0.9 0
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221406 85272551 1 OS2C12H18 AB2C12D18 -34.62 3.4 -8.27 -0.28 0
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221407 85272552 1 OH2N2F6C7 AB2C2D6E7 -273.34 5.11 -10.86 -2.62 0
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221408 85272553 1 O2F3N4H7C8 A2B3C4D7E8 -149.8 4.47 -9.16 -0.63 0
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221409 85272555 1 O2C17H24 A2B17C24 -79.7 5.0 -9.42 -0.61 0
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221410 85272556 1 ON2H10C16 AB2C10D16 131.5 4.34 -9.13 -1.64 0
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221411 85272557 3 OC5H6 AB5C6 -80.46 3.21 -9.43 -0.05 0
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221412 85272558 2 OC8H11 AB8C11 -84.59 0.92 -9.27 0.47 0
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221413 85272559 2 OC8H11 AB8C11 -82.74 3.79 -9.27 -0.3 0
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221414 85272560 2 OC8H11 AB8C11 -101.02 3.14 -8.36 0.47 0
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221415 85272561 1 SSiO2C11H22 ABC2D11E22 -173.74 2.49 -9.5 0.07 0
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221416 85272562 1 SiC16H26 AB16C26 -34.56 1.29 -8.22 0.41 0
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221417 85272563 1 ClO2C13H23 AB2C13D23 -142.6 2.64 -10.06 0.68 0
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221418 85272564 1 NO5H9C12 AB5C9D12 -76.96 7.18 -9.06 -1.94 0