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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84873 49870451 2 NO2C15H19 AB2C15D19 -119.01 3.88 -8.9 -0.56 0
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84874 49870520 1 OS2N6H8C14 AB2C6D8E14 183.21 2.32 -8.61 -1.74 0
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84875 49870524 2 O3N4C21H25 A3B4C21D25 -148.52 4.59 -8.52 -0.92 0
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84876 49870536 1 ON7H17C21 AB7C17D21 94.25 2.47 -9.12 -1.28 0
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84878 49870544 1 Cl2O2N6H30C31 A2B2C6D30E31 64.17 3.64 -8.79 -1.24 0
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84879 49870546 1 FSN5O11C37H46 ABC5D11E37F46 -435.95 6.65 -9.71 -0.57 0
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84880 49870550 1 NO5C26H37 AB5C26D37 -214.07 4.68 -9.53 0.03 0
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84881 49870557 1 O2N5H21C22 A2B5C21D22 30.5 7.24 -8.91 -0.75 0
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84882 49870558 1 ON5C21H21 AB5C21D21 88.6 5.6 -8.74 -0.49 0
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84883 49870559 1 ON7H19C22 AB7C19D22 99.08 3.36 -8.67 -1.07 0
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84884 49870562 1 SO2N3H21C26 AB2C3D21E26 48.56 8.59 -7.64 -0.9 0
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84885 49870563 1 OSN3H21C26 ABC3D21E26 92.64 4.95 -7.64 -0.98 0
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84886 49870565 1 SO2N3H19C25 AB2C3D19E25 56.73 8.33 -7.66 -0.96 0
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84887 49870567 1 BrNC54H96 ABC54D96 64.31 57.4 -4.73 -2.13 1
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84888 49870568 1 NC54H96 AB54C96 9.79 0.58 0.0 0.0 0
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84889 49870569 1 N2O10C65H110 A2B10C65D110 -433.6 3.81 -9.41 -0.24 0
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84890 49870570 2 NO5C32H54 AB5C32D54 -437.25 5.34 -9.38 -0.39 0
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84891 49870572 1 N3O4C28H35 A3B4C28D35 -124.57 6.0 -9.3 -0.42 0
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84892 49870573 1 SN2O5C28H36 AB2C5D28E36 -161.53 4.08 -9.35 -0.48 0
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84893 49870575 1 N2O6C29H34 A2B6C29D34 -175.57 5.99 -9.6 -0.74 0
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84894 49870585 1 F2O2N9C24H27 A2B2C9D24E27 -31.81 5.1 -9.07 -1.19 0
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84895 49870595 1 SO2N4F6C24H24 AB2C4D6E24F24 -326.01 10.17 -10.14 -1.41 0
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84896 49870597 4 NC4H5 AB4C5 41.87 3.46 -8.92 -0.7 0
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84897 49870598 1 OF3N3C18H20 AB3C3D18E20 -157.69 3.49 -8.89 -0.64 0
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84898 49870599 1 SO2N4C20H26 AB2C4D20E26 -17.99 4.47 -8.88 -0.51 0