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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398487 135033503 1 NSiC12H16 ABC12D16 37.38 2.67 0.0 0.0 0
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398488 135033504 1 NS2C21H25 AB2C21D25 71.81 1.74 -8.42 -0.18 0
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398489 135033506 1 SN2H14C15 AB2C14D15 71.43 1.11 -8.68 -0.41 0
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398490 135033508 1 NSO6C24H27 ABC6D24E27 -192.82 5.33 -8.7 -0.48 0
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398491 135033510 1 NO6C18H23 AB6C18D23 -218.22 1.79 -8.65 0.05 0
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398492 135033512 1 NO6C18H23 AB6C18D23 -236.33 4.1 -8.65 -0.02 0
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398493 135033514 1 O4C17H20 A4B17C20 -136.81 1.87 -9.46 -0.62 0
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398494 135033515 2 O2H9C10 A2B9C10 -90.19 3.47 -9.79 -0.69 0
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398495 135033516 2 OC8H11 AB8C11 -68.5 3.95 -9.44 0.18 0
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398496 135033517 1 NO2S3C11H15 AB2C3D11E15 -52.85 5.2 -9.43 -1.1 0
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398497 135033518 1 O3S3F6C13H16 A3B3C6D13E16 -442.4 5.38 -9.57 -1.25 0
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398498 135033519 1 NO2C18H19 AB2C18D19 -44.93 3.41 -8.99 -0.24 0
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398499 135033520 1 OC13H18 AB13C18 -38.42 2.2 -9.46 0.34 0
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398500 135033521 1 N2O3C20H24 A2B3C20D24 -83.64 4.89 -8.55 -0.63 0
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398501 135033522 1 BrN2O3C13H13 AB2C3D13E13 -102.26 1.12 -9.73 -0.63 0
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398502 135033523 1 N3O5C13H13 A3B5C13D13 -110.44 5.67 -10.51 -1.43 0
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398503 135033530 1 Si2N3O10C35H57 A2B3C10D35E57 -560.78 8.92 -9.0 -0.37 0
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398504 135033539 1 OSiN3C24H31 ABC3D24E31 41.75 3.17 -8.21 -0.9 0
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398505 135033544 1 SiO2N3C25H31 AB2C3D25E31 -2.37 3.91 -8.69 -1.1 0
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398506 135033547 1 FSiN3C23H28 ABC3D23E28 33.65 4.06 -8.59 -1.0 0
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398507 135033561 1 O3H16C18 A3B16C18 -51.04 4.15 -9.48 -1.22 0
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398508 135033565 1 NO4H17C19 AB4C17D19 -104.4 5.85 -8.65 -0.98 0
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398509 135033566 1 NO4H17C19 AB4C17D19 -116.26 3.9 -8.34 -0.95 1
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398510 135033569 1 FNPH22C26 ABCD22E26 78.96 10.73 0.0 0.0 0
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398511 135033572 1 N2Si2O5C22H44 A2B2C5D22E44 -366.19 4.48 -9.13 -0.07 0
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398512 135033586 1 SO8C39H44 AB8C39D44 -235.47 5.38 -8.34 -0.12 0
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398513 135033606 1 NO2C27H35 AB2C27D35 -59.47 2.52 -8.6 0.42 0
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398514 135033620 1 NSnO2C29H51 ABC2D29E51 -140.62 2.49 -8.56 0.4 0
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398515 135033632 1 PN2O2C24H31 AB2C2D24E31 -103.09 3.85 -8.87 -0.03 0
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398516 135033638 1 O11H52C53 A11B52C53 -312.35 6.86 -9.01 -0.88 0
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398517 135033644 1 NO4C20H31 AB4C20D31 -215.21 3.52 -9.87 -0.12 0
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398518 135033648 1 ClNSO2F3C18H19 ABCD2E3F18G19 -219.31 6.28 -9.22 -0.89 0
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398519 135033660 1 NO3C18H19 AB3C18D19 -78.66 3.17 -9.46 -0.62 0
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398520 135033665 1 NCl2O2H7C8 AB2C2D7E8 -52.01 0.14 -10.23 -1.92 0
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398521 135033674 1 O2H22C31 A2B22C31 40.45 1.57 -8.7 -0.54 0
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398522 135033677 1 O2H22C25 A2B22C25 -15.86 2.85 -8.52 -0.53 0
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398523 135033679 2 OH12C16 AB12C16 44.63 3.02 -8.69 -0.56 0
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398524 135033680 2 OH12C13 AB12C13 -12.12 3.12 -8.53 -0.38 0
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398525 135033681 2 O2H12C13 A2B12C13 -76.18 1.99 -8.66 -0.48 0
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398526 135033684 2 O2H12C13 A2B12C13 -72.65 3.08 -8.63 -0.46 0
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398527 135033685 1 O3H22C26 A3B22C26 -25.43 2.63 -8.31 -0.81 0
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398528 135033686 1 O3H22C26 A3B22C26 -21.98 4.29 -8.01 -0.58 0
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398529 135033687 1 NSSiO4C28H45 ABCD4E28F45 -239.0 2.66 -8.87 -0.64 0
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398530 135033688 1 NO4C20H29 AB4C20D29 -143.67 3.05 -9.05 -0.79 0
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398531 135033689 1 NO3C20H29 AB3C20D29 -113.61 4.22 -9.24 -0.68 0
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398532 135033691 1 SN2C9H10 AB2C9D10 45.39 3.04 -8.76 -0.56 0
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398533 135033692 1 OC15H20 AB15C20 -27.57 1.08 -9.24 0.43 0
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398534 135033694 5 C3H4 A3B4 7.15 0.6 -9.28 0.44 0
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398535 135033695 1 N2O8C33H48 A2B8C33D48 -398.73 2.4 -8.46 -0.1 0
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398536 135033700 2 N2O4C14H19 A2B4C14D19 -326.23 2.95 -8.83 -0.78 0
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398538 135033713 1 S2C13H14 A2B13C14 30.7 0.38 -8.08 0.28 0
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398540 135033737 1 OPN2C21H29 ABC2D21E29 -72.44 4.02 -9.03 0.07 0
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398541 135033740 1 NPO3C23H28 ABC3D23E28 -133.6 5.36 -8.99 -0.02 0
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398542 135033747 1 OC14H22 AB14C22 -53.56 1.87 -9.23 0.5 0
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398543 135033757 1 BrFNOSH13C16 ABCDEF13G16 -20.71 4.0 -9.17 -1.04 0
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398544 135033770 1 SO4H14C17 AB4C14D17 -116.58 6.92 -8.66 -1.08 0
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398545 135033771 1 ClSO3H11C16 ABC3D11E16 -80.83 3.65 -8.76 -1.53 0
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398546 135033778 1 SP2C28H46 AB2C28D46 -66.06 0.98 -8.09 0.01 0
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398547 135033781 1 NO2C22H25 AB2C22D25 -29.97 3.16 -8.99 -0.86 0
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398548 135033809 1 NO5C19H19 AB5C19D19 -154.87 5.04 -8.65 -0.58 0
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398549 135033815 1 NO2S2C11H11 AB2C2D11E11 -44.69 7.82 -7.86 -0.47 0
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398550 135033825 1 S2H16C19 A2B16C19 63.36 0.59 -8.1 -0.29 0
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398551 135033829 1 SiO4C22H38 AB4C22D38 -221.98 1.7 -8.38 0.12 0
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398552 135033842 1 OC17H26 AB17C26 -64.26 1.92 -9.2 0.52 0
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398553 135033847 1 SF3O3N5C17H22 AB3C3D5E17F22 -221.12 3.43 -9.04 -0.91 0
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398554 135033848 1 BrNSO2H12C13 ABCD2E12F13 -51.6 8.78 -8.16 -0.62 0
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398555 135033853 1 NO5C29H31 AB5C29D31 -141.17 2.71 -8.2 -0.12 0
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398556 135033857 1 NSO2C17H17 ABC2D17E17 -24.97 6.44 -8.73 -0.54 0
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398557 135033867 1 NOSiC30H37 ABCD30E37 -14.13 2.94 -9.02 0.01 0
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398560 135033886 2 N2O5C10H13 A2B5C10D13 -382.57 6.31 -9.44 -0.8 0
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398561 135033891 1 SN4O4H20C21 AB4C4D20E21 2.86 12.46 -9.2 -1.38 0
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398562 135033892 1 OH16C25 AB16C25 75.34 2.47 -9.09 -1.13 0
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398563 135033902 1 BNPO3C22H27 ABCD3E22F27 -110.9 6.16 -8.13 -0.41 0
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398564 135033907 1 NS2O3C17H21 AB2C3D17E21 -89.06 5.77 -9.52 -0.93 0
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398565 135033911 1 NSO3C19H25 ABC3D19E25 -116.27 3.18 -8.97 -0.69 0