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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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213670 81064537 1 SN2O3C15H26 AB2C3D15E26 -126.11 5.31 -9.36 -0.45 0
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213671 81064538 1 SN3O3C14H27 AB3C3D14E27 -122.09 8.27 -9.13 0.48 0
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213672 81064544 1 N2S2O3C14H26 A2B2C3D14E26 -122.76 7.23 -9.19 -0.71 0
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213673 81064562 1 ON6C10H20 AB6C10D20 -5.18 3.29 -8.89 0.21 0
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213674 81064564 1 ON5C13H25 AB5C13D25 -9.52 5.12 -9.05 -0.3 0
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213675 81064577 1 ClSN3O3C10H18 ABC3D3E10F18 -101.5 4.68 -9.46 -0.28 0
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213676 81064591 1 N3O3C15H17 A3B3C15D17 -78.32 3.78 -9.51 -0.68 0
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213677 81064616 1 NO4C14H19 AB4C14D19 -168.86 3.37 -9.29 -0.36 0
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213678 81064617 1 NO3C12H15 AB3C12D15 -119.65 2.77 -9.87 -0.34 0
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213679 81064621 1 NO4C12H17 AB4C12D17 -164.41 3.27 -9.47 -0.24 0
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213680 81064636 1 NO4C11H15 AB4C11D15 -160.17 3.27 -9.62 -0.32 0
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213681 81064644 1 BrNO4C14H18 ABC4D14E18 -162.98 3.2 -9.41 -0.39 0
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213682 81064645 1 N3O3C10H15 A3B3C10D15 -102.53 4.81 -9.69 -0.08 0
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213683 81064646 1 SN2O3C12H18 AB2C3D12E18 -131.38 5.24 -9.51 -0.68 0
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213684 81064647 1 NO3C16H31 AB3C16D31 -198.65 2.9 -9.91 0.47 0
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213685 81064649 1 NSO5C10H19 ABC5D10E19 -244.72 5.3 -10.1 0.46 0
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213686 81064650 1 N4O5C11H16 A4B5C11D16 -102.79 8.35 -10.54 -1.21 0
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213687 81064654 1 BrNO3C15H20 ABC3D15E20 -136.11 2.29 -9.67 -0.22 0
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213688 81064669 1 OSN3C16H29 ABC3D16E29 -51.37 3.18 -8.26 -0.02 0
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213689 81064670 1 OSN3C16H29 ABC3D16E29 -50.53 1.31 -8.08 0.22 0
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213690 81064672 1 SN2O2C16H20 AB2C2D16E20 -31.39 5.44 -8.57 -0.92 0
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213691 81064673 1 SN2O3C15H18 AB2C3D15E18 -78.34 9.19 -8.83 -0.95 0
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213692 81064676 1 SO2N3C15H29 AB2C3D15E29 -80.1 0.47 -8.34 -0.05 0
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213693 81064682 1 OSN3C16H29 ABC3D16E29 -22.93 3.45 -8.4 -0.12 0
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213694 81064684 1 OSN3C16H31 ABC3D16E31 -54.6 2.99 -8.37 -0.06 0