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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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298526 117650597 1 NO2C17H37 AB2C17D37 -167.91 1.27 -9.37 2.55 0
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298527 117650604 1 NO7C23H25 AB7C23D25 -153.56 7.03 -8.99 -1.55 0
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298528 117650612 2 N3O5C11H21 A3B5C11D21 -428.47 9.05 -9.53 0.36 0
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298529 117650613 2 N3O5C11H22 A3B5C11D22 -467.23 5.82 -9.6 0.38 0
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298530 117650619 2 ON4H9C12 AB4C9D12 157.57 5.45 -8.71 -0.92 0
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298531 117650623 2 O2C18H19 A2B18C19 -43.49 2.69 -9.06 -0.09 0
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298532 117650624 1 NO7C12H21 AB7C12D21 -338.23 2.42 -10.37 0.3 0
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298533 117650629 1 PO8C18H37 AB8C18D37 -466.28 2.69 -9.92 0.7 0
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298534 117650630 1 FNO6C17H18 ABC6D17E18 -257.01 1.53 -8.68 -0.98 0
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298535 117650633 1 NO5C14H19 AB5C14D19 -195.34 2.66 -8.52 -0.1 0
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298536 117650682 1 NO3C13H19 AB3C13D19 -95.8 2.37 -8.18 0.29 0
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298537 117650843 1 OC13H20 AB13C20 -52.87 1.75 -9.37 0.34 0
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298538 117650858 1 PN2C21H27 AB2C21D27 11.54 1.56 -7.84 0.46 0
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298539 117650878 1 NO4C11H15 AB4C11D15 -138.42 3.37 -8.84 -0.64 0
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298540 117650882 1 NSO3C11H15 ABC3D11E15 -106.31 7.39 -9.62 -0.92 0
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298541 117650897 1 O4N6C13H22 A4B6C13D22 -86.36 2.6 -9.38 -0.23 0
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298542 117650907 1 O2F9C11H11 A2B9C11D11 -533.86 3.2 -10.91 -0.5 0
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298543 117650914 1 N2O2C7H10 A2B2C7D10 -22.0 3.19 -9.42 0.01 0
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298544 117650935 1 O5C40H56 A5B40C56 -257.35 2.04 -8.37 0.26 0
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298545 117650936 1 ClFON3C15H15 ABCD3E15F15 -13.03 3.19 -8.9 -0.91 0
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298546 117650956 1 NO3C23H35 AB3C23D35 -173.41 4.48 -8.58 0.3 0
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298547 117650977 1 BrFOC21H26 ABCD21E26 -88.69 4.78 -8.6 -0.77 0
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298548 117651004 2 C2H2N3 A2B2C3 133.84 1.58 -10.14 -1.91 0
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298549 117651008 1 O2C19H30 A2B19C30 -91.48 2.61 -9.14 -0.06 1
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298550 117651032 1 PO5C26H44 AB5C26D44 -263.09 19.26 0.0 0.0 0