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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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175589 75925360 1 O3N4H18C21 A3B4C18D21 -22.91 2.67 -9.06 -0.56 0
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175590 75925361 1 FO3N4H17C21 AB3C4D17E21 -70.36 3.93 -9.25 -0.85 0
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175591 75925421 1 SO2N3C19H21 AB2C3D19E21 -42.37 3.31 -8.76 -0.35 0
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175592 75925422 1 FSO2N3H22C24 ABC2D3E22F24 -60.7 4.86 -8.7 -0.31 0
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175593 75925423 1 SN2O2C19H22 AB2C2D19E22 -50.66 4.17 -8.67 -0.29 0
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175594 75925424 1 SF2O2N3H19C23 AB2C2D3E19F23 -97.55 2.62 -8.74 -0.67 0
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175595 75925738 1 SN2O5C17H24 AB2C5D17E24 -213.75 5.95 -9.54 -0.3 0
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175596 75926056 1 SO4N5C22H29 AB4C5D22E29 -35.81 7.49 -9.05 -1.01 1
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175597 75926057 1 ON2C16H25 AB2C16D25 -21.02 3.73 0.0 0.0 0
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175598 75926058 1 ON2C16H24 AB2C16D24 -48.03 2.97 -8.72 0.46 1
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175599 75926059 1 ON2C15H23 AB2C15D23 -35.37 2.83 0.0 0.0 1
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175600 75926542 1 BrON3C22H27 ABC3D22E27 47.84 2.96 0.0 0.0 0
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175601 75926543 1 BrON3C22H26 ABC3D22E26 20.53 1.59 -8.24 -0.4 0
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175602 75926544 1 BrFON3H19C21 ABCD3E19F21 3.98 5.75 -9.13 -0.86 0
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175603 75926624 1 ON3C18H31 AB3C18D31 -53.95 6.35 -8.9 0.86 0
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175604 75926625 1 NO2C17H25 AB2C17D25 -62.4 3.73 -9.16 0.37 0
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175605 75926931 1 BrSN2O4C16H23 ABC2D4E16F23 -177.45 7.81 -9.09 -0.34 0
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175606 75927807 1 N3O3C26H27 A3B3C26D27 -30.6 2.63 -8.59 -0.37 0
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175607 75927808 1 ClN3O3C19H20 AB3C3D19E20 -61.82 4.15 -8.67 -0.64 0
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175608 75927809 1 N3O4C25H25 A3B4C25D25 -57.79 0.64 -8.42 -0.49 0
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175609 75927810 1 ClSO3N5C17H18 ABC3D5E17F18 -22.43 5.14 -9.6 -1.81 0
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175610 75927811 1 SO4N5C23H29 AB4C5D23E29 -92.59 9.63 -8.89 -0.58 0
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175611 75927812 1 ClO2N5C25H30 AB2C5D25E30 -29.4 3.73 -9.54 -0.62 1
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175612 75927813 1 ClO2N3C16H19 AB2C3D16E19 -7.3 4.47 0.0 0.0 0
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175613 75927814 1 ClO2N3C16H18 AB2C3D16E18 -29.54 4.11 -9.09 -0.41 1
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175614 75927815 1 N3O3C22H24 A3B3C22D24 -3.09 2.69 0.0 0.0 0
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175615 75927816 1 N3O3C22H23 A3B3C22D23 -29.32 4.03 -9.01 -0.66 0
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175616 75927817 1 ClO2N5C24H24 AB2C5D24E24 -0.36 5.19 -9.4 -0.6 1
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175617 75927818 1 ClON4C19H24 ABC4D19E24 13.26 10.55 0.0 0.0 0
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175618 75928360 1 O3N7H23C25 A3B7C23D25 43.52 4.71 -8.73 -1.06 0
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175619 75928361 1 O5N6C20H22 A5B6C20D22 -100.12 3.2 -8.98 -1.23 0
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175620 75928524 1 SF2N3O3H17C22 AB2C3D3E17F22 -142.95 9.38 -8.71 -1.02 0
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175621 75928525 1 SO4N6C20H20 AB4C6D20E20 -60.45 2.47 -8.52 -0.95 1
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175622 75929041 1 FO2N4C23H26 AB2C4D23E26 -48.3 3.94 0.0 0.0 0
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175623 75929129 1 O4N5C24H27 A4B5C24D27 -78.79 2.46 -8.58 -0.38 0
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175624 75929428 1 ClSO2N3C23H24 ABC2D3E23F24 -26.01 3.34 -8.98 -0.68 1
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175625 75929461 1 F2O2N5C25H28 A2B2C5D25E28 -61.28 20.35 0.0 0.0 1
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175626 75929462 1 FO3N5C24H29 AB3C5D24E29 -85.59 24.8 0.0 0.0 0
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175627 75929463 1 FO3N5C24H28 AB3C5D24E28 -100.51 3.28 -8.37 -1.6 1
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175628 75929464 1 FO2N4C28H38 AB2C4D28E38 -87.9 2.7 0.0 0.0 1
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175629 75929465 1 FO2N4C21H32 AB2C4D21E32 -107.51 2.84 0.0 0.0 1
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175630 75929466 1 FON7C23H29 ABC7D23E29 51.75 6.03 0.0 0.0 1
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175631 75929467 1 O2F3N4C25H30 A2B3C4D25E30 -160.26 7.05 0.0 0.0 0
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175632 75929468 1 O2F3N4C25H29 A2B3C4D25E29 -187.85 5.68 -8.44 -0.45 1
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175633 75929469 1 ClFN3O3C24H30 ABC3D3E24F30 -115.29 5.31 0.0 0.0 0
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175634 75929470 1 ClFN3O3C24H29 ABC3D3E24F29 -139.14 5.86 -8.46 -0.55 1
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175635 75929471 1 FO2N4C27H34 AB2C4D27E34 -60.02 6.88 0.0 0.0 0
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175636 75929472 1 FO2N4C27H33 AB2C4D27E33 -85.71 6.3 -8.4 -0.71 1
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175637 75929473 1 FO2N5C20H29 AB2C5D20E29 -64.36 2.17 0.0 0.0 0
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175638 75929474 1 FO2N5C20H28 AB2C5D20E28 -92.79 4.71 -8.58 -0.57 0