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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194495 78545356 1 ClON2H15C18 ABC2D15E18 26.86 4.67 -9.08 -1.33 0
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194496 78545879 1 SN3O3C20H25 AB3C3D20E25 -101.85 4.32 -8.89 -0.86 0
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194497 78545880 1 SN3O3C21H27 AB3C3D21E27 -107.17 3.33 -8.97 -0.81 0
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194498 78546522 1 NO3C25H29 AB3C25D29 -99.53 5.32 -9.26 -0.6 0
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194499 78546523 1 NO3C27H29 AB3C27D29 -84.2 3.39 -9.22 -0.84 0
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194500 78546524 1 NO3H23C25 AB3C23D25 -59.92 3.41 -8.64 -0.63 0
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194501 78546525 1 FNO3H20C23 ABC3D20E23 -111.19 6.42 -8.91 -0.94 0
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194502 78546526 1 NO3C27H29 AB3C27D29 -83.22 5.82 -8.7 -0.73 0
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194503 78546527 1 NO3C24H29 AB3C24D29 -110.37 3.0 -9.0 -0.38 0
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194504 78546528 1 NO3C27H27 AB3C27D27 -80.17 6.06 -9.24 -0.7 0
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194505 78546579 1 ClF2N2O4H15C18 AB2C2D4E15F18 -221.1 2.26 -10.08 -1.34 2
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194506 78546580 2 NOC13H20 ABC13D20 22.6 8.35 -3.54 -0.06 0
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194507 78546581 1 NCl2F2O3H13C17 AB2C2D3E13F17 -187.5 1.84 -9.65 -1.37 0
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194508 78546582 1 NCl2F2O3H13C17 AB2C2D3E13F17 -191.39 4.62 -9.51 -1.69 1
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194509 78546583 1 SO2N4C19H31 AB2C4D19E31 -58.81 7.47 0.0 0.0 0
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194510 78546624 1 SO3N4C20H20 AB3C4D20E20 21.66 9.49 -9.68 -1.53 0
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194511 78547217 1 FNO4C19H20 ABC4D19E20 -179.69 3.37 -8.94 -0.2 0
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194512 78547700 1 N4O4C23H26 A4B4C23D26 -116.24 15.32 -8.49 -1.26 0
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194513 78547701 1 ClO3N4C20H21 AB3C4D20E21 -57.04 9.26 -8.98 -1.19 0
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194514 78547702 1 ClN3O3C22H24 AB3C3D22E24 -75.52 10.98 -8.96 -1.12 0
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194515 78547813 1 N3O5C23H25 A3B5C23D25 -144.21 9.9 -8.83 -0.95 0
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194516 78548032 1 ClSN2O3C18H21 ABC2D3E18F21 -103.96 3.93 -9.22 -0.86 0
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194517 78548041 1 ClNSO4C18H18 ABCD4E18F18 -132.35 1.83 -8.82 -0.93 0
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194518 78548042 1 N2O7C21H24 A2B7C21D24 -252.62 4.56 -7.98 -0.61 0
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194519 78548043 1 ClNSO3C18H18 ABCD3E18F18 -104.07 4.17 -8.87 -0.76 0
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194520 78548044 2 NO3C9H9 AB3C9D9 -139.2 6.34 -9.78 -1.5 0
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194521 78548045 1 ClNSO4C19H20 ABCD4E19F20 -141.54 4.98 -8.61 -0.55 0
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194522 78548046 1 ClNSO3C19H20 ABCD3E19F20 -109.53 5.1 -9.1 -0.95 0
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194523 78548091 1 FNO4H14C16 ABC4D14E16 -168.25 6.4 -9.19 -0.61 0
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194524 78548092 1 ClNSO3C21H24 ABCD3E21F24 -117.33 4.34 -9.01 -0.98 0
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194525 78548440 1 SN2O5C18H22 AB2C5D18E22 -207.28 4.1 -9.22 -0.42 0
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194526 78548991 1 ON2S2C22H24 AB2C2D22E24 -0.5 4.34 -8.72 -0.6 0
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194527 78548992 1 BrO3H19C20 AB3C19D20 -88.44 2.85 -9.49 -0.73 0
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194528 78549511 1 N3O4C24H27 A3B4C24D27 -124.93 4.69 -9.32 -0.78 0
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194529 78549534 1 NO4H23C24 AB4C23D24 -98.59 3.74 -8.83 -0.6 0
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194530 78549944 1 NSO7C20H23 ABC7D20E23 -239.65 1.6 -9.6 -1.18 0
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194531 78549945 1 SN3O6C18H25 AB3C6D18E25 -250.29 4.9 -9.7 -1.36 0
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194532 78549946 1 SN2O5C21H30 AB2C5D21E30 -220.56 4.05 -9.71 -1.21 2
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194533 78550250 2 NOC10H17 ABC10D17 -88.58 5.38 -8.67 0.11 0
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194534 78550374 1 ClO2F3N3H9C14 AB2C3D3E9F14 -97.34 5.59 -9.46 -1.84 0
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194535 78551231 1 F2N2O3C22H22 A2B2C3D22E22 -144.07 7.26 -8.83 -1.04 0
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194536 78551263 1 SN2O5C21H24 AB2C5D21E24 -152.89 8.09 -9.48 -1.18 0
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194537 78551422 1 NF3O3H16C18 AB3C3D16E18 -253.09 1.47 -8.89 -1.61 0
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194538 78551589 1 FN2S2O3H15C19 AB2C2D3E15F19 -79.83 3.45 -8.88 -1.43 0
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194539 78551590 1 FSN2O3H13C19 ABC2D3E13F19 -53.09 6.26 -9.06 -1.67 0
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194540 78551724 1 NO6C23H23 AB6C23D23 -162.06 5.61 -8.89 -0.32 0
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194541 78551963 1 N3O6C18H23 A3B6C18D23 -228.78 6.01 -8.97 -0.36 0
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194542 78552947 1 OSN2C20H22 ABC2D20E22 6.94 3.37 -9.16 -0.73 0
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194543 78552948 1 SN2O2C20H24 AB2C2D20E24 -68.58 6.09 -8.85 -0.52 0
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194544 78553111 1 FSN2O4H17C19 ABC2D4E17F19 -157.64 5.81 -8.97 -1.5 0