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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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195795 78732387 1 ClN2O2C19H22 AB2C2D19E22 -4.08 16.04 0.0 0.0 0
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195796 78732388 1 ClN2O2C19H21 AB2C2D19E21 -28.32 4.53 -9.1 -0.82 1
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195797 78732389 1 ClON2C21H24 ABC2D21E24 19.08 3.64 0.0 0.0 0
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195798 78732390 1 ClON2C21H23 ABC2D21E23 3.35 4.89 -9.08 -0.57 1
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195799 78732391 1 ClN2O2C22H26 AB2C2D22E26 -28.98 5.06 0.0 0.0 0
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195800 78732542 1 N3O4C24H29 A3B4C24D29 -113.58 4.69 -8.18 0.13 1
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195801 78732543 1 N3O4C23H28 A3B4C23D28 -99.95 4.07 0.0 0.0 0
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195802 78732544 1 N3O4C23H27 A3B4C23D27 -117.15 4.6 -7.94 0.06 0
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195803 78732571 1 ClN3O3C22H26 AB3C3D22E26 -79.66 1.92 -8.76 -0.14 1
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195804 78732710 1 O2N3C22H28 A2B3C22D28 -19.54 2.37 0.0 0.0 1
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195805 78732806 1 ClO2N3C20H25 AB2C3D20E25 -29.26 3.84 0.0 0.0 0
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195806 78732807 1 ClO2N3C20H24 AB2C3D20E24 -48.58 5.08 -8.36 -0.28 0
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195807 78733099 2 NSO2C9H12 ABC2D9E12 -169.81 4.93 -8.89 -1.05 1
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195808 78733100 1 O2F3N3C20H23 A2B3C3D20E23 -198.19 6.0 0.0 0.0 0
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195809 78733326 1 NO6H21C23 AB6C21D23 -174.89 7.42 -8.8 -1.01 0
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195810 78733394 1 O3N4C19H26 A3B4C19D26 -104.08 6.09 -8.74 -0.05 1
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195811 78733644 1 ClO2N3C17H19 AB2C3D17E19 -44.52 7.12 0.0 0.0 0
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195812 78733760 1 ClO2N3C15H22 AB2C3D15E22 -94.46 3.44 -9.5 -0.13 1
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195813 78734063 1 SN3O3C18H28 AB3C3D18E28 -90.35 3.61 0.0 0.0 0
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195814 78734342 1 N2O5C17H18 A2B5C17D18 -154.3 3.53 -9.68 -1.97 0
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195815 78734441 1 FOS2N3H14C19 ABC2D3E14F19 49.13 3.35 -8.92 -1.07 0
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195816 78734626 1 SO4N5C19H19 AB4C5D19E19 25.11 7.38 -8.93 -2.14 0
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195817 78734746 1 OSN4C19H20 ABC4D19E20 64.0 8.8 -8.6 -0.96 0
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195818 78734817 1 SN2O5C20H22 AB2C5D20E22 -128.74 8.02 -8.41 -1.01 0
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195819 78735197 1 OBr2N4C14H16 AB2C4D14E16 41.99 4.5 -8.41 -2.36 0
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195820 78735334 1 N3O5C22H29 A3B5C22D29 -190.73 4.14 -9.74 -0.32 0
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195821 78736075 1 O5C21H24 A5B21C24 -153.32 2.0 -8.46 -0.77 0
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195822 78736076 1 BrSN2O2C15H15 ABC2D2E15F15 0.55 6.24 -9.01 -1.1 0
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195823 78736286 1 FN2O4H21C22 AB2C4D21E22 -100.05 5.7 -8.76 -0.84 -1
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195824 78736287 1 SN3O6H12C14 AB3C6D12E14 -24.97 8.14 0.0 0.0 0
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195825 78736288 1 SN3O6H13C14 AB3C6D13E14 -81.09 7.34 -9.81 -1.58 -2
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195826 78736335 1 SN2O6H12C15 AB2C6D12E15 -109.42 5.58 -8.56 -1.24 1
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195827 78736775 1 OSN4C17H25 ABC4D17E25 43.58 10.72 0.0 0.0 0
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195828 78736788 1 OSN4H14C16 ABC4D14E16 92.73 5.12 -9.17 -0.55 1
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195829 78736853 1 OSN4C14H17 ABC4D14E17 75.05 4.78 0.0 0.0 1
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195830 78737523 1 O2N4C16H25 A2B4C16D25 -19.21 6.76 0.0 0.0 0
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195831 78738974 1 ClFNO4H17C19 ABCD4E17F19 -177.35 1.56 -9.52 -1.34 0
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195832 78739644 1 ClFNO5H17C19 ABCD5E17F19 -212.6 3.72 -8.68 -1.42 0
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195833 78740266 1 N4O4C19H22 A4B4C19D22 -130.48 4.2 -9.66 -1.27 0
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195834 78740267 1 NSO4C19H19 ABC4D19E19 -103.68 7.5 -8.32 -0.82 0
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195835 78740676 1 N2O5C18H22 A2B5C18D22 -187.86 3.59 -9.25 -0.53 0
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195836 78740753 1 NS2O5C17H17 AB2C5D17E17 -151.91 7.4 -9.44 -1.09 0
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195837 78741328 1 N2O5C23H26 A2B5C23D26 -174.93 2.72 -8.44 -0.16 0
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195838 78741329 1 N3O5H21C22 A3B5C21D22 -134.27 7.69 -8.79 -0.89 0
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195839 78741379 1 ClN2O6C16H19 AB2C6D16E19 -229.44 5.98 -8.53 -0.05 0
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195840 78741717 1 N2O4C15H18 A2B4C15D18 -124.78 7.84 -9.41 -0.55 2
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195841 78742351 1 OF3N3C21H26 AB3C3D21E26 -40.29 31.49 -4.15 -2.45 0
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195842 78742352 1 OF3N3C21H24 AB3C3D21E24 -136.97 2.36 -8.88 -0.36 0
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195843 78742353 1 NF2O5H17C19 AB2C5D17E19 -249.47 6.41 -9.42 -0.71 0
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195844 78742354 1 FSN2O5C17H17 ABC2D5E17F17 -189.08 7.82 -9.62 -1.0 0