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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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3494 9722 1 NO2F3H8C9 AB2C3D8E9 -224.68 3.05 -9.29 -0.31 0
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3495 9723 2 ON2C7H11 AB2C7D11 -49.88 0.27 -9.36 -0.41 0
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3496 9724 1 BrNOC11H18 ABCD11E18 -27.52 10.41 -8.18 -0.08 0
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3497 9725 1 NOC11H18 ABC11D18 7.52 1.8 0.0 0.0 1
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3498 9726 1 FN2O3H7C8 AB2C3D7E8 -73.22 7.06 -9.91 -1.46 0
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3499 9727 1 NOC9H13 ABC9D13 -26.75 3.06 -8.65 0.37 0
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3500 9728 1 FO2C6H9 AB2C6D9 -131.75 0.58 -10.92 -0.39 0
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3501 9729 1 ClFO2C6H10 ABC2D6E10 -164.38 2.56 -10.73 0.51 0
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3502 9730 2 FOC3H5 ABC3D5 -202.42 0.98 -11.18 0.52 0
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3503 9731 1 FNC6H6 ABC6D6 -25.81 2.99 -8.62 -0.03 0
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3504 9732 1 FOH5C6 ABC5D6 -67.89 1.8 -9.22 -0.31 0
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3505 9733 1 FNOC6H12 ABCD6E12 -113.38 2.71 -9.94 0.85 0
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3506 9734 2 HNaC2O2 ABC2D2 -244.94 0.91 -9.18 0.02 0
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3507 9735 1 FNaO2C6H10 ABC2D6E10 -197.67 7.2 -9.61 0.37 0
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3508 9736 1 FO2C6H11 AB2C6D11 -158.8 3.99 -11.05 0.57 0
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3509 9737 1 FOC2H5 ABC2D5 -100.27 1.37 -10.95 2.01 0
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3510 9738 1 FOPN2C6H16 ABCD2E6F16 -194.72 5.4 -9.84 1.09 0
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3511 9739 1 ClFSO2C4H8 ABCD2E4F8 -151.97 5.96 -11.65 -1.08 0
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3512 9740 1 NO2C3H3 AB2C3D3 -56.42 3.06 -11.76 -0.13 0
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3513 9741 2 FH2C3 AB2C3 -72.46 1.58 -10.09 -0.4 0
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3514 9742 1 FNC6H6 ABC6D6 -28.5 2.95 -8.78 0.16 0
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3515 9744 1 FO3C6H9 AB3C6D9 -184.45 2.8 -10.84 -0.17 0
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3516 9745 3 FHC2 ABC2 -120.16 0.0 -10.52 -0.65 0
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3517 9746 1 FNH4C5 ABC4D5 -12.09 3.48 -10.32 -0.53 0
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3518 9747 1 ClFSO2C6H12 ABCD2E6F12 -162.77 5.75 -11.69 -1.11 0
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3519 9748 1 SF2O2C6H12 AB2C2D6E12 -206.57 5.81 -11.8 0.0 0
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3520 9749 1 FNO3C6H10 ABC3D6E10 -186.54 2.5 -10.33 0.32 0
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3521 9750 1 N3O3C6H13 A3B3C6D13 -145.65 3.56 -10.21 0.68 0
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3522 9751 2 FO2C3H4 AB2C3D4 -268.34 3.22 -11.23 0.12 0
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3523 9752 1 FNO2C4H8 ABC2D4E8 -76.09 4.62 -11.13 -0.52 0
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3524 9753 2 FC2H4 AB2C4 -116.71 0.02 -11.94 3.12 0
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3525 9754 1 FIC4H8 ABC4D8 -53.71 2.41 -9.83 -0.86 0
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3526 9755 1 FOC4H9 ABC4D9 -111.78 1.49 -10.6 2.61 0
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3527 9756 1 NiC4O4H6 AB4C4D6 -159.99 8.95 -9.42 -1.27 0
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3528 9757 1 FNOC6H12 ABCD6E12 -117.49 2.35 -9.87 1.17 0
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3529 9758 1 FO2C6H11 AB2C6D11 -160.22 2.9 -11.05 0.72 0
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3530 9759 1 FOSC6H11 ABCD6E11 -112.12 1.39 -9.44 0.1 0
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3531 9760 1 FC6H13 AB6C13 -81.35 1.78 -11.18 3.27 0
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3532 9761 1 FC6H11 AB6C11 -54.08 1.58 -10.15 1.21 0
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3533 9762 1 FC6H9 AB6C9 -14.07 0.72 -10.74 1.7 0
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3534 9763 1 FO2C4H9 AB2C4D9 -144.5 2.09 -10.26 1.64 0
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3535 9764 1 FO2C14H27 AB2C14D27 -199.12 2.82 -10.74 0.89 0
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3536 9767 1 FNC6H10 ABC6D10 -44.17 3.39 -11.85 1.25 0
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3537 9768 1 FOC6H13 ABC6D13 -120.42 1.59 -10.5 2.52 0
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3538 9769 1 FOC6H11 ABC6D11 -101.86 2.41 -10.15 0.36 0
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3539 9770 1 FOC6H13 ABC6D13 -112.48 1.54 -9.76 2.15 0
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3540 9771 1 FO3C6H13 AB3C6D13 -183.73 0.93 -10.24 1.01 0
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3541 9772 1 ClNC2F3H5 ABC2D3E5 -197.75 5.47 -10.09 1.57 0
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3542 9773 1 NC2F3H4 AB2C3D4 -164.29 4.02 -10.25 1.49 0
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3543 9774 1 OC3F3H5 AB3C3D5 -219.77 2.99 -11.47 1.27 0
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3544 9775 2 CClF2 ABC2 -225.55 0.65 -11.82 -1.21 0
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3545 9776 1 OH3C4F7 AB3C4D7 -404.39 2.22 -11.53 -0.09 0
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3546 9777 1 HO2C4F7 AB2C4D7 -429.89 2.59 -12.15 -0.87 0
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3547 9778 1 HC7F15 AB7C15 -745.46 1.58 -13.53 -0.63 0
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3548 9779 1 OH4C9F16 AB4C9D16 -834.09 1.61 -11.46 -0.29 0
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3549 9780 1 NOH2C5F7 ABC2D5E7 -375.55 2.02 -11.06 -0.5 0
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3550 9781 1 FO3C22H31 AB3C22D31 -184.35 7.28 -9.77 -0.05 0
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3551 9782 1 FO5C22H29 AB5C22D29 -266.81 8.36 -9.79 -0.55 0
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3552 9784 1 ClN2O3H11C12 AB2C3D11E12 -119.48 1.3 -9.94 -0.88 0
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3553 9786 1 FSnH15C18 ABC15D18 30.28 3.21 -9.66 0.14 0
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3554 9787 2 N5O8C35H38 A5B8C35D38 -481.07 9.0 -8.49 -1.55 0
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3555 9788 2 CFHO ABCD -180.59 2.94 -11.69 -0.34 0
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3556 9789 1 NH2F3C4 AB2C3D4 -112.67 3.79 -12.02 -1.27 0
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3557 9790 2 ClFC2H3 ABC2D3 -143.17 1.93 -10.95 -0.03 0
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3558 9791 1 O3C19H24 A3B19C24 -138.99 5.97 -9.81 -0.14 0
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3559 9792 1 FO5C22H31 AB5C22D31 -292.02 6.78 -9.67 -0.5 0
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3560 9793 1 FO4C22H29 AB4C22D29 -227.05 7.37 -9.89 -0.5 0
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3561 9794 1 O2F3C4H5 A2B3C4D5 -245.66 3.33 -11.74 -0.46 0
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3562 9795 1 NO2F3H4C7 AB2C3D4E7 -137.71 6.6 -11.14 -1.88 0
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3563 9796 1 F2O2H4C7 A2B2C4D7 -151.62 6.21 -10.7 -1.21 0
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3564 9798 4 H4C7 A4B7 119.17 0.07 -8.18 -1.18 0
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3565 9799 1 FO5C22H31 AB5C22D31 -290.59 4.81 -9.88 -0.27 0
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3566 9800 1 ClSN3O5C31H36 ABC3D5E31F36 -127.01 7.27 -7.81 -0.55 0
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3567 9801 1 NC24H27 AB24C27 54.22 1.31 -8.88 0.22 0
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3568 9802 1 N2O2F6H10C17 A2B2C6D10E17 -341.17 1.25 -8.87 -1.2 0