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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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18676 546135 1 N3O5C15H21 A3B5C15D21 -196.14 3.19 -9.68 -0.16 0
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18677 546136 1 ClPC11H16 ABC11D16 -40.95 2.91 -9.06 0.46 0
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18678 546158 1 O2C11H22 A2B11C22 -137.44 3.13 -10.17 2.65 0
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18679 546186 1 SO2C20H34 AB2C20D34 -129.65 1.7 -9.14 -0.16 0
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18680 546191 2 OC4H8 AB4C8 -84.27 2.2 -9.4 1.22 0
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18681 546192 1 NOC9H17 ABC9D17 -49.8 4.04 -9.24 0.94 0
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18682 546226 1 NO4C12H21 AB4C12D21 -216.26 5.7 -10.28 0.01 0
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18683 546277 1 ClN4C12H15 AB4C12D15 74.89 3.37 -9.01 -0.75 0
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18684 546369 1 N3O6C13H19 A3B6C13D19 -273.16 3.61 -10.16 -0.8 0
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18685 546370 2 N2O3C6H9 A2B3C6D9 -174.81 6.61 -10.28 -1.12 0
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18686 546384 1 OC14H28 AB14C28 -111.86 2.18 -10.14 2.91 0
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18687 546402 1 NO3C13H25 AB3C13D25 -173.98 2.53 -9.84 0.55 0
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18688 546408 1 O2C11H22 A2B11C22 -141.51 2.08 -10.46 0.98 0
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18689 546412 1 FN2O2C12H19 AB2C2D12E19 -148.44 4.66 -9.68 -0.68 0
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18690 546415 1 NOC12H15 ABC12D15 5.94 3.47 -9.43 0.19 0
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18691 546428 1 OC12H16 AB12C16 -24.84 1.67 -9.39 0.34 0
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18692 546431 1 O2N4C11H16 A2B4C11D16 -65.33 2.5 -8.88 0.21 0
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18693 546438 1 NO2C14H21 AB2C14D21 -93.49 6.99 -10.31 -1.02 0
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18694 546441 1 ZnC28H50 AB28C50 145.12 2.2 -7.02 -1.6 0
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18695 546446 1 B2O4C9H18 A2B4C9D18 -315.96 2.45 -10.83 1.36 0
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18696 546450 1 ClON2C12H13 ABC2D12E13 5.01 3.6 -9.6 -1.02 0
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18697 546455 1 NO3C10H13 AB3C10D13 -123.27 11.78 -9.22 -0.92 0
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18698 546524 1 ClON2C15H23 ABC2D15E23 -64.65 6.58 -8.86 -0.01 0
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18699 546536 1 SN2O4C10H14 AB2C4D10E14 -109.47 6.83 -9.16 -1.12 0
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18700 546537 1 SN2O3C11H18 AB2C3D11E18 -146.16 1.92 -9.38 -0.3 0
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18701 546540 1 SN2O2C13H24 AB2C2D13E24 -116.17 3.58 -8.57 -0.13 0
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18702 546679 1 NF3O5C14H22 AB3C5D14E22 -414.31 2.98 -10.73 -0.32 0
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18703 546719 1 SO3N4C16H18 AB3C4D16E18 40.75 6.47 -8.89 -1.69 0
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18704 546720 1 N2F3O3C17H23 A2B3C3D17E23 -289.53 3.54 -8.7 -0.09 0
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18705 546721 1 O2N3C15H21 A2B3C15D21 3.88 3.41 -8.74 -0.8 0
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18706 546752 1 ClN2F3O4C15H18 AB2C3D4E15F18 -318.2 1.64 -8.7 -0.36 0
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18707 546757 1 NCl4O4H17C18 AB4C4D17E18 -134.23 1.99 -9.7 -1.3 0
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18708 546764 1 NBr2O2C15H19 AB2C2D15E19 -77.29 3.29 -9.61 -0.75 0
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18709 546775 1 N2O2C15H22 A2B2C15D22 -68.32 3.5 -9.0 -0.02 0
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18710 546796 2 OC13H24 AB13C24 -164.06 1.58 -9.35 0.91 0
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18711 546812 1 ClNO3C17H20 ABC3D17E20 -104.25 2.05 -9.16 -0.78 0
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18712 546824 1 P2C23H40 A2B23C40 -45.48 0.25 -8.15 0.5 0
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18713 546826 1 IN2O3C17H31 AB2C3D17E31 -175.84 3.68 -9.38 -0.79 0
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18714 546865 2 MoO2C15H21 AB2C15D21 -85.03 10.89 -7.66 -0.42 -10
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18715 546869 1 O2C61H122 A2B61C122 -363.85 1.95 -10.23 0.82 0
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18716 546906 1 NSC8H19 ABC8D19 -22.17 2.11 -8.39 1.0 0
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18717 546915 1 N3C10H21 A3B10C21 38.74 2.18 -8.73 1.02 0
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18718 546990 2 OC5H9 AB5C9 -110.78 1.82 -9.7 0.53 0
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18719 546991 1 O3C6H8 A3B6C8 -124.45 1.61 -10.25 -0.2 0
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18720 546996 1 OC6H12 AB6C12 -54.95 0.86 -9.09 1.54 0
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18721 546998 1 NO2C8H17 AB2C8D17 -125.4 5.62 -9.9 1.13 0
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18722 547001 1 ON2C24H24 AB2C24D24 17.63 4.01 -8.38 -0.79 0
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18723 547002 1 FON2C20H21 ABC2D20E21 -46.35 4.15 -8.46 -0.5 0
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18724 547006 1 OC14H28 AB14C28 -106.13 3.38 -10.04 0.79 0
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18725 547007 1 OC8H16 AB8C16 -70.74 1.86 -10.2 2.96 0