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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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46557 10525188 1 ClN2O5H19C20 AB2C5D19E20 -165.82 5.4 -9.07 -1.43 0
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46558 10525204 1 NO10C17H25 AB10C17D25 -480.91 4.2 -9.82 0.3 0
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46559 10525219 1 N3O5C21H29 A3B5C21D29 -214.21 4.18 -9.12 -0.47 0
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46560 10525221 1 S2O3N5C17H17 A2B3C5D17E17 -6.78 6.72 -9.04 -0.89 0
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46561 10525242 1 ClNO4C22H26 ABC4D22E26 -137.17 10.43 -8.28 -0.97 0
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46562 10525245 1 NO2C24H33 AB2C24D33 -63.31 2.23 -8.56 0.4 0
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46563 10525249 1 BrNO3C20H22 ABC3D20E22 -70.59 4.03 -7.94 -0.3 0
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46564 10525253 1 BrNO2C21H26 ABC2D21E26 -48.87 9.19 -8.09 -0.78 0
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46565 10525256 1 NSCl2O3C18H23 ABC2D3E18F23 -130.49 5.37 -9.01 -0.5 0
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46566 10525266 1 SN2O4H16C22 AB2C4D16E22 -13.63 9.19 -8.38 -2.13 0
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46567 10525272 2 NO2C12H12 AB2C12D12 -76.18 3.4 -9.4 -0.03 0
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46568 10525279 2 O2C13H14 A2B13C14 -114.02 2.37 -9.04 0.04 0
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46569 10525281 1 N2S2O4C19H20 A2B2C4D19E20 -71.26 4.93 -9.21 -1.36 0
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46570 10525290 1 N2O4C23H36 A2B4C23D36 -217.65 3.56 -8.63 0.07 0
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46571 10525292 1 SiN2O4C21H32 AB2C4D21E32 -153.66 4.26 -8.64 -0.53 0
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46572 10525298 1 OC29H40 AB29C40 -89.12 1.43 -8.85 0.52 0
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46573 10525303 2 NOSC10H20 ABCD10E20 -143.9 6.9 -7.66 0.27 0
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46574 10525319 1 NO8C20H23 AB8C20D23 -319.16 4.77 -9.54 -0.01 0
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46575 10525320 1 N3O5H19C22 A3B5C19D22 -84.54 5.04 -8.0 -1.14 0
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46576 10525323 1 NO7C21H27 AB7C21D27 -289.44 2.53 -8.77 0.12 0
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46577 10525326 1 N5O5C19H27 A5B5C19D27 -135.66 3.41 -8.52 -1.35 0
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46578 10525333 3 NOC8H9 ABC8D9 -30.58 4.98 -9.43 -0.37 0
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46579 10525336 1 NSO3H23C24 ABC3D23E24 34.42 8.34 -8.53 -1.54 0
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46580 10525355 1 ClNS4H12C18 ABC4D12E18 77.58 4.7 -8.59 -0.68 0
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46581 10525360 1 IN4O4C12H15 AB4C4D12E15 -103.36 3.48 -8.48 -0.92 0
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46582 10525366 1 O6N8C15H18 A6B8C15D18 -163.53 8.89 -10.06 -1.52 0
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46583 10525367 1 PO7C20H23 AB7C20D23 -277.63 2.02 -9.43 0.08 0
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46584 10525372 1 N2O3C16H24 A2B3C16D24 -135.5 3.6 -9.02 0.07 0
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46585 10525381 1 NOSeC22H33 ABCD22E33 -42.16 3.29 -8.43 -0.1 0
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46586 10525389 2 NO2C12H13 AB2C12D13 -56.57 6.71 -9.41 -1.22 0
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46587 10525399 2 O2C13H15 A2B13C15 -145.16 5.83 -8.92 -0.44 0
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46588 10525404 1 SN2O6C18H34 AB2C6D18E34 -298.79 1.71 -9.0 -0.14 0
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46589 10525406 1 OSN4C23H26 ABC4D23E26 73.92 6.6 -8.67 -1.09 0
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46590 10525408 1 O5C24H38 A5B24C38 -130.44 1.33 -9.24 0.17 0
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46591 10525411 2 NOC13H17 ABC13D17 -44.62 7.21 -8.44 0.07 0
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46592 10525413 1 SiO3N4C20H34 AB3C4D20E34 -150.78 4.15 -8.69 -0.12 0
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46593 10525415 1 N2O3C24H42 A2B3C24D42 -101.21 3.17 -9.53 0.75 0
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46594 10525462 1 N3O3C24H29 A3B3C24D29 -98.23 6.2 -8.9 -0.56 0
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46595 10525464 1 FSiO2N3C22H22 ABC2D3E22F22 -31.62 4.17 -8.72 -0.84 0
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46596 10525472 1 SN3O3C21H33 AB3C3D21E33 -156.3 7.27 -8.82 -0.31 0
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46598 10525475 1 NO2S2C22H33 AB2C2D22E33 -81.77 2.56 -8.94 -0.12 0
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46599 10525477 1 ClFN3O3C20H23 ABC3D3E20F23 -22.87 69.08 -5.19 -3.07 0
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46600 10525478 1 FN3O3C20H22 AB3C3D20E22 -81.65 8.96 -8.78 -0.75 0
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46601 10525495 1 TcN2S2O5C10H17 AB2C2D5E10F17 26.53 6.74 -7.43 -5.79 0
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46602 10525502 1 O3N8C19H20 A3B8C19D20 115.13 4.86 -9.62 -1.52 0
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46603 10525515 1 N2O6C21H32 A2B6C21D32 -289.7 3.46 -8.86 0.13 1
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46604 10525525 1 NOC21H46 ABC21D46 -92.84 1.84 0.0 0.0 0
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46605 10525527 1 OSN2H20C26 ABC2D20E26 76.18 4.59 -8.7 -0.91 0
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46606 10525529 1 N2O5C22H36 A2B5C22D36 -267.93 6.28 -10.22 -0.67 0
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46607 10525530 1 N2O3C25H32 A2B3C25D32 -97.34 2.55 -9.37 -0.02 0