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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147773 53787431 1 N2O3C16H24 A2B3C16D24 -123.83 3.29 -8.23 0.13 0
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147774 53787432 1 S2N4O7C21H22 A2B4C7D21E22 -226.59 4.58 -8.28 -0.96 0
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147775 53787433 1 BrOC28H31 ABC28D31 39.64 1.14 -9.36 0.0 0
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147776 53787434 1 N3O7C24H25 A3B7C24D25 -89.6 2.85 -9.64 -1.6 0
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147777 53787435 1 N2O4C23H34 A2B4C23D34 -185.57 6.52 -8.73 0.08 0
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147778 53787436 1 O2N3C17H23 A2B3C17D23 -10.75 1.85 -9.38 -0.13 1
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147779 53787437 1 ON2C24H41 AB2C24D41 -56.88 3.87 0.0 0.0 0
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147780 53787438 1 S2N3O6H19C23 A2B3C6D19E23 -118.69 6.63 -9.22 -1.04 0
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147781 53787439 1 SN2O3H12C13 AB2C3D12E13 -61.46 3.86 -9.29 -0.84 0
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147782 53787440 1 ClO5C22H29 AB5C22D29 -204.29 4.65 -9.03 -0.26 0
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147783 53787441 2 C18H29 A18B29 -5.92 0.58 -8.62 0.59 0
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147784 53787442 1 FON4H25C26 ABC4D25E26 48.8 5.54 -8.95 -0.04 0
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147785 53787443 2 O3C17H18 A3B17C18 -173.46 2.15 -9.36 0.05 0
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147786 53787444 2 O3C17H18 A3B17C18 -175.33 2.57 -9.33 0.07 0
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147787 53787445 2 O3C17H18 A3B17C18 -183.85 4.65 -9.54 -0.09 0
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147788 53787446 1 SF2O2N4C16H20 AB2C2D4E16F20 -102.22 2.36 -10.08 -0.79 0
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147789 53787447 1 SSiO4C24H36 ABC4D24E36 -219.03 3.07 -8.27 0.24 0
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147790 53787448 1 ClFNO2C24H25 ABCD2E24F25 -79.17 4.05 -8.78 -0.98 0
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147791 53787449 1 NO5C20H29 AB5C20D29 -162.0 5.05 -8.8 -0.02 0
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147792 53787450 1 NO2F6H15C20 AB2C6D15E20 -354.38 2.08 -10.01 -1.58 0
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147793 53787451 1 C6O7H8 A6B7C8 -253.44 2.63 -11.21 -0.63 0
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147794 53787452 1 S3N4O4C22H26 A3B4C4D22E26 -99.45 7.82 -8.25 -0.67 0
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147795 53787453 1 NC21H45 AB21C45 -95.14 1.61 -9.07 3.57 0
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147796 53787454 1 OSN5H15C16 ABC5D15E16 87.7 3.28 -8.96 -0.83 0
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147797 53787455 1 N5C12H15 A5B12C15 114.44 8.0 -8.13 -1.18 0
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147798 53787456 1 NSO5C30H41 ABC5D30E41 -225.78 3.25 -9.1 -0.73 0
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147799 53787457 1 ON4C15H20 AB4C15D20 38.66 6.41 -9.29 -0.71 0
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147800 53787458 1 O2N5C25H29 A2B5C25D29 5.94 4.25 -9.05 -0.92 0
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147801 53787459 2 O3C19H19 A3B19C19 -121.67 1.52 -9.02 -0.85 0
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147802 53787460 1 H5N7C9 A5B7C9 199.63 3.5 -9.06 -1.35 0
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147803 53787461 1 O3C17H18 A3B17C18 -108.25 3.92 -9.66 -0.64 0
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147804 53787462 1 N2O4C21H22 A2B4C21D22 -112.1 2.55 -9.67 -0.37 0
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147805 53787463 1 SN4O5C26H28 AB4C5D26E28 -115.64 6.78 -9.49 -1.01 0
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147806 53787464 1 O2N3C7H11 A2B3C7D11 -59.55 3.17 -9.52 0.41 0
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147807 53787465 1 ClNO3C12H20 ABC3D12E20 -140.81 5.39 -9.46 0.07 0
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147808 53787466 1 SN6C10H16 AB6C10D16 82.36 5.59 -8.67 -0.44 0
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147809 53787467 1 N3C19H31 A3B19C31 8.41 1.35 -8.41 0.38 0
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147810 53787468 1 ClF4C35H41 AB4C35D41 -202.9 6.07 -9.02 -0.8 0
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147811 53787469 1 BrO3C20H35 AB3C20D35 -191.35 5.58 -10.22 -1.09 0
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147812 53787470 1 NO2C16H17 AB2C16D17 4.35 1.43 -8.82 -0.17 0
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147813 53787471 1 PN3O4C11H24 AB3C4D11E24 -228.01 4.95 -8.8 0.53 0
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147814 53787472 1 ClN4C9H11 AB4C9D11 69.23 2.64 -8.88 -0.51 0
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147815 53787473 1 ClO2C7H11 AB2C7D11 -70.72 3.28 -10.01 -1.32 0
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147816 53787474 1 NO6C8H11 AB6C8D11 -264.01 6.62 -10.73 -0.45 0
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147817 53787475 1 ClN2O5C18H27 AB2C5D18E27 -219.31 1.9 -9.83 -0.54 0
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147818 53787476 1 ClNO2H18C19 ABC2D18E19 -32.31 4.52 -9.68 -0.53 0
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147819 53787477 1 OCl2N4C14H16 AB2C4D14E16 50.54 5.86 -9.68 -0.94 0
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147820 53787478 2 N2O2C27H32 A2B2C27D32 -28.71 6.16 -7.86 -1.09 0
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147821 53787479 1 PN2O3C10H25 AB2C3D10E25 -223.85 2.76 -8.98 0.88 0
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147822 53787480 1 O5C20H26 A5B20C26 -185.54 6.93 -8.8 -0.64 0