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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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89799 49964711 1 N3O4C24H27 A3B4C24D27 -74.86 3.7 -8.66 -0.17 0
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89800 49964727 1 ClN3O5C22H22 AB3C5D22E22 -115.22 0.74 -8.82 -0.66 0
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89801 49964731 1 BrN3O3H20C21 AB3C3D20E21 -16.6 2.58 -9.25 -0.58 0
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89802 49964734 1 ClN3O5C23H24 AB3C5D23E24 -118.12 3.82 -8.78 -0.56 0
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89803 49964741 1 BrN3O3H20C21 AB3C3D20E21 -20.4 2.76 -9.24 -0.66 0
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89804 49964743 1 BrN3O3C16H18 AB3C3D16E18 -54.09 6.18 -9.51 -0.44 0
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89805 49964757 1 BrN3O4H20C21 AB3C4D20E21 -65.83 2.57 -9.26 -0.71 0
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89806 49964760 1 FN3O3C16H18 AB3C3D16E18 -99.51 4.98 -9.5 -0.18 0
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89807 49964761 1 N3O4C21H21 A3B4C21D21 -65.95 3.26 -9.15 -0.54 0
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89808 49964770 1 N4O5H20C21 A4B5C20D21 -27.69 2.42 -9.39 -1.43 0
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89809 49964786 1 N3O5C23H25 A3B5C23D25 -101.88 2.19 -8.85 -0.31 0
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89810 49964787 1 ClN3O4C22H22 AB3C4D22E22 -69.55 3.04 -8.92 -0.49 0
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89811 49964802 1 N2O3C16H18 A2B3C16D18 -112.54 4.92 -8.8 -0.34 0
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89812 49964807 1 N2O3C22H22 A2B3C22D22 -77.16 2.71 -8.55 -0.78 0
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89813 49964820 1 ISN2O2C16H21 ABC2D2E16F21 -28.07 8.13 -7.04 -0.9 0
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89814 49964822 1 N3C13H19 A3B13C19 33.62 3.32 -8.71 -0.35 0
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89815 49964825 1 O3N4H20C24 A3B4C20D24 -16.78 10.18 -8.26 -1.32 0
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89816 49964830 1 SN2O4H18C22 AB2C4D18E22 -55.71 5.53 -8.24 -2.03 1
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89817 49964832 1 BrN2O2C9H12 AB2C2D9E12 40.36 14.78 0.0 0.0 0
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89818 49964833 1 FO5H21C26 AB5C21D26 -184.98 6.52 -9.06 -0.91 0
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89819 49964834 1 FO6H23C27 AB6C23D27 -220.79 6.08 -8.57 -0.73 1
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89820 49964839 1 N4O4C15H17 A4B4C15D17 55.27 20.55 0.0 0.0 0
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89821 49964840 1 SN2O2H14C16 AB2C2D14E16 -8.42 5.41 -8.63 -1.34 0
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89822 49964843 1 FO6H25C28 AB6C25D28 -227.76 6.43 -8.43 -0.73 0
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89823 49964844 1 SN2O2C16H20 AB2C2D16E20 -6.72 15.54 -7.48 -0.18 0