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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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26058 637429 1 O7H20C21 A7B20C21 -204.84 4.22 -8.71 -1.2 0
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26059 637486 2 ClC2H4 AB2C4 -46.05 2.48 -10.66 0.69 0
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26060 637488 2 O4C16H21 A4B16C21 -345.46 4.29 -9.79 0.08 0
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26061 637552 2 NOC10H12 ABC10D12 -27.0 3.3 -8.67 -0.65 0
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26062 637553 1 OC7H12 AB7C12 -64.38 3.42 -9.74 0.8 0
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26063 637554 1 OS2H6C7 AB2C6D7 -8.51 4.89 -9.3 -0.85 0
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26064 637563 1 OC10H12 AB10C12 -12.52 1.36 -8.4 0.26 0
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26065 637564 1 OC6H8 AB6C8 -9.91 5.22 -9.71 -0.74 0
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26066 637565 1 OC10H16 AB10C16 -61.91 5.2 -9.75 0.09 0
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26067 637566 1 OC10H18 AB10C18 -57.76 2.63 -9.17 1.21 0
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26068 637567 1 Br2C5H10 A2B5C10 -27.82 3.32 -10.53 -0.16 0
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26069 637597 1 N2O5C13H16 A2B5C13D16 -200.81 3.84 -9.5 -0.1 0
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26070 637741 4 O2C9H12 A2B9C12 -377.37 4.38 -9.07 -0.55 0
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26071 637743 1 OC17H20 AB17C20 5.28 2.03 -8.15 -0.36 0
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26072 637847 2 O2C10H13 A2B10C13 -168.11 9.35 -9.73 -0.39 0
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26073 637882 4 OC6H10 AB6C10 -176.52 7.4 -9.15 -0.21 0
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26074 637932 1 LiH5C6 AB5C6 63.06 7.41 -7.25 1.51 0
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26075 637986 1 NC8H15 AB8C15 -13.89 1.66 -8.49 3.03 0
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26076 637989 1 NC9H15 AB9C15 -22.84 1.64 -8.79 3.33 0
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26077 638019 1 OC27H46 AB27C46 -119.12 2.49 -9.07 1.52 1
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26078 638022 1 NO3C17H24 AB3C17D24 -94.8 1.74 0.0 0.0 0
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26079 638030 1 SN2O5C17H20 AB2C5D17E20 -166.52 4.72 -9.34 -0.37 0
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26080 638031 1 NaSN3O8C16H20 ABC3D8E16F20 -384.0 3.95 -9.04 -0.32 0
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26081 638054 1 C7H12 A7B12 -2.94 0.38 -10.24 2.85 0
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26082 638055 1 C9H16 A9B16 -33.17 0.06 -10.48 3.83 0
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26083 638057 1 C7H12 A7B12 -1.43 0.36 -10.4 3.76 0
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26084 638064 12 CH2 AB2 -40.95 0.03 -8.69 1.67 0
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26085 638065 22 CH2 AB2 -104.81 0.01 -8.45 1.73 0
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26086 638068 7 CH2 AB2 -20.97 0.51 -9.12 1.59 0
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26087 638072 10 C3H5 A3B5 -36.47 0.9 -8.84 1.47 0
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26088 638074 3 C3H4 A3B4 27.1 0.88 -9.35 0.5 0
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26089 638080 2 C7H12 A7B12 -16.45 0.42 -9.41 1.42 0
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26090 638126 1 IO2C3H3 AB2C3D3 -49.51 3.93 -10.4 -1.65 0
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26091 638144 4 OC2H3 AB2C3 -169.66 0.49 -11.08 -1.18 0
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26092 638145 1 OSC2H4 ABC2D4 -32.56 1.1 -9.51 -0.12 0
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26093 638158 1 BrOPH20C21 ABCD20E21 21.64 15.21 -7.35 -1.0 0
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26094 638209 1 O5C24H32 A5B24C32 -226.96 8.9 -9.19 -0.95 0
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26095 638210 1 OC15H16 AB15C16 -10.75 2.85 -8.42 -0.19 0
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26096 638277 3 OH4C5 AB4C5 -58.76 4.34 -9.04 -0.74 0
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26097 638281 2 N2O2C5H6 A2B2C5D6 -100.34 2.12 -10.11 -1.13 0
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26098 638430 1 BrI2C8H13 AB2C8D13 20.19 1.67 -9.4 -1.8 0
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26099 638439 1 NO4C9H9 AB4C9D9 -51.67 6.13 -9.15 -1.53 0
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26100 638446 1 O7C9H14 A7B9C14 -295.93 1.55 -10.76 0.24 0
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26101 638453 1 BrO2H11C12 AB2C11D12 -35.07 2.86 -9.28 -0.15 0
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26102 638958 1 O5C16H20 A5B16C20 -219.15 3.16 -9.57 -0.43 0
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26103 638963 1 NSH3C4 ABC3D4 80.5 3.93 -8.91 -0.56 0
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26104 638964 1 NSC5H5 ABC5D5 71.23 4.59 -8.86 -0.52 0
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26105 638968 1 SO3C7H10 AB3C7D10 -95.67 1.78 -9.07 -0.66 0
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26106 638974 1 OC7H14 AB7C14 -59.63 2.43 -9.94 0.96 0
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26107 638975 2 SN2C4H5 AB2C4D5 70.18 0.33 -9.29 -1.59 0