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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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221472 85273747 2 O3C8H11 A3B8C11 -239.39 3.17 -9.26 0.37 0
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221473 85273748 1 O4H18C19 A4B18C19 -22.78 3.52 -8.82 -0.59 0
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221474 85273749 1 N2O5C15H22 A2B5C15D22 -192.94 3.96 -9.36 0.17 0
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221475 85273750 2 OH7C11 AB7C11 178.95 1.62 -8.78 -0.74 0
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221476 85273753 1 SO5C15H18 AB5C15D18 -181.89 6.54 -8.68 -0.45 0
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221477 85273754 1 FON2C19H19 ABC2D19E19 -43.53 3.3 -8.24 -0.34 0
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221478 85273755 1 SN2O4C14H18 AB2C4D14E18 -166.52 6.25 -10.34 -0.77 0
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221479 85273756 1 PN2O2C16H27 AB2C2D16E27 -145.71 6.31 -9.06 0.59 0
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221480 85273757 1 O3C20H22 A3B20C22 -58.71 3.24 -9.27 0.25 0
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221481 85273758 1 O3C20H22 A3B20C22 -80.11 1.19 -9.46 0.04 0
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221482 85273761 1 N2O2C19H22 A2B2C19D22 -17.44 1.89 -9.4 0.11 0
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221483 85273763 1 OSN2C18H18 ABC2D18E18 56.58 5.27 -8.31 -0.5 0
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221484 85273764 1 O2C21H26 A2B21C26 -81.97 2.6 -8.74 0.23 0
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221485 85273766 1 SO3C17H26 AB3C17D26 -149.39 6.82 -10.09 -0.45 0
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221486 85273768 1 SiO2C18H34 AB2C18D34 -140.79 1.61 -8.96 0.68 0
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221487 85273769 1 ClN2O2H15C17 AB2C2D15E17 -16.26 5.65 -9.78 -0.39 0
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221488 85273771 1 BrN2O3H11C12 AB2C3D11E12 -17.32 4.62 -8.68 -1.59 0
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221489 85273773 1 BSeC16H29 ABC16D29 -41.74 1.49 -7.9 0.39 0
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221490 85273774 1 BrOSN2H11C12 ABCD2E11F12 16.09 5.04 -9.24 -0.96 0
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221491 85273775 1 NO7C14H17 AB7C14D17 -292.76 6.55 -10.43 -0.87 0
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221492 85273776 1 NO4H17C18 AB4C17D18 -109.11 3.92 -9.64 -0.3 0
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221493 85273778 1 N3O5C14H21 A3B5C14D21 -219.12 6.12 -10.06 -0.15 0
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221495 85273780 1 NO2C21H25 AB2C21D25 -75.4 1.55 -8.71 0.43 0
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221496 85273781 1 N3O3C17H17 A3B3C17D17 -26.61 8.86 -8.22 -0.94 0
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221497 85273782 1 N3O3C17H17 A3B3C17D17 32.92 7.27 -8.94 -1.42 0
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221498 85273784 1 FN3O3C15H24 AB3C3D15E24 -215.12 3.61 -10.09 -0.58 0
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221499 85273785 1 NSO5C14H17 ABC5D14E17 -177.88 4.13 -9.97 -0.34 0
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221501 85273788 1 NO3C19H21 AB3C19D21 -13.44 7.45 -9.12 -1.4 0
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221502 85273789 1 S2N3O3C12H13 A2B3C3D12E13 -45.85 4.09 -9.32 -0.92 0
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221504 85273791 1 NOC21H29 ABC21D29 -3.7 0.86 -9.12 0.4 0
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221505 85273793 1 NSiO2C17H33 ABC2D17E33 -176.2 5.0 -8.62 0.6 0
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221506 85273794 1 NSiC20H29 ABC20D29 -12.75 3.31 -8.52 0.07 0
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221507 85273796 1 ClN3O4C13H14 AB3C4D13E14 -54.98 2.92 -8.7 -0.97 0
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221508 85273797 1 ClNO3C16H22 ABC3D16E22 -119.11 2.94 -9.7 -0.26 0
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221509 85273798 1 IO3C10H17 AB3C10D17 -116.98 1.91 -9.75 -1.12 2
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221511 85273800 1 H11C15 A11B15 129.73 0.2 0.0 0.0 0
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221512 85273801 1 O7C15H20 A7B15C20 -260.63 3.23 -9.46 -0.65 0
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221513 85273802 2 NO3C7H10 AB3C7D10 -228.22 3.96 -10.4 -0.53 0
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221514 85273803 1 N2O4H16C17 A2B4C16D17 0.97 5.31 -9.22 -1.69 0
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221515 85273804 1 N2O4H16C17 A2B4C16D17 -85.89 10.85 -9.4 -1.75 0
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221516 85273806 2 O3C8H12 A3B8C12 -219.77 8.26 -9.67 -0.21 0
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221518 85273808 1 N2O5C15H24 A2B5C15D24 -226.11 2.78 -9.53 0.12 0
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221519 85273810 1 FO2C20H21 AB2C20D21 -93.06 1.88 -9.59 -0.22 0
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221520 85273811 1 SO5C15H20 AB5C15D20 -203.55 4.2 -9.58 -0.63 0
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221521 85273813 1 O3C20H24 A3B20C24 -118.88 2.23 -8.59 0.22 0
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221524 85273820 1 SiO4C16H28 AB4C16D28 -182.05 2.26 -8.62 0.25 0
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221525 85273822 1 SiN2O2C16H32 AB2C2D16E32 -175.17 5.33 -8.95 1.13 0
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221526 85273825 1 OSiN2C17H36 ABC2D17E36 -119.91 1.74 -8.37 1.18 0
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221527 85273826 1 ClFSN2O2H10C13 ABCD2E2F10G13 -47.41 2.3 -8.83 -1.06 0
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221528 85273831 1 ON3H15C20 AB3C15D20 95.95 2.75 -8.45 -0.87 0