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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193794 78438798 1 O4N5C16H23 A4B5C16D23 -148.32 7.42 -9.62 -0.47 0
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193795 78438799 2 NOH9C10 ABC9D10 -27.14 4.76 -8.4 -0.63 -1
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193796 78438878 1 N3O6C9H14 A3B6C9D14 -212.0 21.63 0.0 0.0 1
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193797 78439769 1 NO3C16H26 AB3C16D26 -107.93 5.25 0.0 0.0 -1
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193798 78439952 1 N3O4H14C16 A3B4C14D16 6.0 7.36 0.0 0.0 -1
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193799 78439977 1 N2O5C13H13 A2B5C13D13 -82.27 21.56 0.0 0.0 1
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193800 78440195 1 N2O2Cl4C13H17 A2B2C4D13E17 -87.21 2.67 0.0 0.0 1
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193801 78440196 1 ON2Cl4C15H19 AB2C4D15E19 -43.74 4.99 0.0 0.0 1
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193802 78440197 1 ON2Cl3C13H16 AB2C3D13E16 -22.66 9.95 0.0 0.0 -2
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193803 78440468 1 SN2H4C6O6 AB2C4D6E6 -188.58 3.66 -10.35 -1.71 0
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193804 78440469 1 NO5C13H23 AB5C13D23 -235.41 4.08 -9.96 0.0 1
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193805 78440574 1 ON2C12H15 AB2C12D15 42.9 15.28 0.0 0.0 -1
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193806 78440930 1 SN2O5H13C17 AB2C5D13E17 -50.23 3.07 0.0 0.0 -1
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193807 78440931 1 SN2O6H13C17 AB2C6D13E17 -79.14 2.67 0.0 0.0 0
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193808 78441129 1 ClN2O5C17H21 AB2C5D17E21 -132.46 2.59 -9.33 -2.06 0
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193809 78441130 1 N2O5C24H32 A2B5C24D32 -215.06 6.07 -9.58 -1.57 0
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193810 78441131 1 NO5C20H23 AB5C20D23 -170.77 5.84 -9.47 -1.36 0
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193811 78441132 1 N2O3C18H22 A2B3C18D22 -86.16 3.37 -9.37 -1.49 0
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193812 78441133 1 N2O3C22H28 A2B3C22D28 -123.84 4.11 -9.54 -1.11 0
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193813 78441134 1 N2O4C19H28 A2B4C19D28 -193.61 1.83 -9.37 -0.38 0
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193814 78441135 1 SO2N4C22H32 AB2C4D22E32 -50.38 3.77 -8.46 -0.09 -1
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193815 78441254 1 NO5H18C19 AB5C18D19 -157.5 4.46 0.0 0.0 0
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193816 78441704 1 SN4O4C25H32 AB4C4D25E32 -134.06 6.52 -8.38 -0.32 2
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193817 78441705 1 SO3N4C24H34 AB3C4D24E34 -33.38 10.76 -5.45 -0.17 -1
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193818 78442694 1 NO2H18C22 AB2C18D22 50.41 9.27 0.0 0.0 1
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193819 78442922 1 ON2C16H17 AB2C16D17 0.8 1.46 0.0 0.0 -1
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193820 78442923 1 SN4O4C13H17 AB4C4D13E17 -76.17 5.42 0.0 0.0 1
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193821 78442924 1 O3N6C15H25 A3B6C15D25 -72.96 4.24 0.0 0.0 -1
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193822 78443153 1 SN3O3H10C12 AB3C3D10E12 30.78 12.13 0.0 0.0 -1
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193823 78443171 1 O3N4H11C16 A3B4C11D16 88.0 9.75 0.0 0.0 -1
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193824 78443172 1 O2C12H17 A2B12C17 -42.0 4.98 0.0 0.0 0
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193825 78443173 1 O2N4C19H22 A2B4C19D22 -18.47 2.94 -8.93 -0.62 -1
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193826 78443174 1 N3O5H10C12 A3B5C10D12 19.08 17.15 0.0 0.0 2
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193827 78443175 2 ClSN2O2C16H18 ABC2D2E16F18 -57.31 6.49 -9.07 -0.94 1
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193828 78443176 1 ClON2C20H24 ABC2D20E24 0.29 7.84 0.0 0.0 -2
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193829 78443643 1 BrO6H15C16 AB6C15D16 -214.89 2.76 -9.22 -0.67 -1
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193830 78443738 1 SN4O6H15C20 AB4C6D15E20 -70.79 8.1 0.0 0.0 -1
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193831 78443739 1 SN4O6H15C20 AB4C6D15E20 -64.32 8.85 0.0 0.0 1
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193832 78443790 1 ON5H10C13 AB5C10D13 89.55 5.62 0.0 0.0 0
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193833 78444230 1 N3O7H19C20 A3B7C19D20 -208.51 0.16 -8.47 -0.41 0
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193834 78444342 1 SN3O4C21H25 AB3C4D21E25 -81.94 5.17 -9.21 -1.16 1
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193835 78444343 1 SN2O2H21C22 AB2C2D21E22 5.55 3.79 0.0 0.0 1
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193836 78444552 1 OF2N3C19H22 AB2C3D19E22 -11.18 2.67 0.0 0.0 2
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193837 78444905 1 O2N5C23H33 A2B5C23D33 -27.77 4.01 -9.06 -0.28 0
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193838 78445238 1 NO5C26H35 AB5C26D35 -197.01 4.74 -9.06 -0.61 0
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193839 78445443 1 ClNO5H30C32 ABC5D30E32 -128.53 3.51 -8.83 -1.1 0
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193840 78445496 1 ClNO5C31H36 ABC5D31E36 -177.41 2.95 -8.19 -0.57 1
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193841 78445838 1 NO2C23H40 AB2C23D40 -101.36 3.28 0.0 0.0 1
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193842 78446348 1 O2N3C15H30 A2B3C15D30 -93.15 5.15 0.0 0.0 1
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193843 78446354 1 O3N6C19H23 A3B6C19D23 61.8 9.99 0.0 0.0 0