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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
277075 |
103826615 |
1 |
BrClNO2H15C16 |
ABCD2E15F16 |
-43.28 |
4.93 |
-9.46 |
-0.88 |
0 |
|
|
277076 |
103826620 |
1 |
BrClN2O2C15H20 |
ABC2D2E15F20 |
-62.7 |
4.23 |
-9.19 |
-0.78 |
0 |
|
|
277077 |
103826623 |
1 |
BrClON3H13C14 |
ABCD3E13F14 |
15.14 |
4.5 |
-8.28 |
-1.23 |
0 |
|
|
277078 |
103826626 |
1 |
BrClON2H10C15 |
ABCD2E10F15 |
31.77 |
4.39 |
-10.12 |
-1.11 |
0 |
|
|
277079 |
103826631 |
1 |
BrClFNO2H10C14 |
ABCDE2F10G14 |
-80.09 |
5.72 |
-8.66 |
-1.14 |
0 |
|
|
277080 |
103826632 |
1 |
BrClN2O3C14H16 |
ABC2D3E14F16 |
-103.9 |
1.81 |
-9.52 |
-0.96 |
0 |
|
|
277081 |
103826633 |
1 |
BrClN2O2H10C15 |
ABC2D2E10F15 |
-0.68 |
1.14 |
-9.3 |
-1.23 |
0 |
|
|
277082 |
103826635 |
1 |
BrClN2O2C12H14 |
ABC2D2E12F14 |
-68.88 |
7.72 |
-9.57 |
-1.07 |
0 |
|
|
277083 |
103826643 |
1 |
BrClON2C15H20 |
ABCD2E15F20 |
-34.07 |
5.86 |
-8.93 |
-0.76 |
0 |
|
|
277084 |
103826647 |
1 |
BrClON2C16H20 |
ABCD2E16F20 |
-32.33 |
5.85 |
-9.06 |
-0.75 |
0 |
|
|
277085 |
103826649 |
1 |
BrClNO3C14H15 |
ABCD3E14F15 |
-118.58 |
3.56 |
-9.8 |
-0.95 |
0 |
|
|
277086 |
103826652 |
1 |
BrClON2C14H18 |
ABCD2E14F18 |
-33.79 |
2.55 |
-8.7 |
-0.99 |
0 |
|
|
277087 |
103826654 |
1 |
BrClN2O2C14H16 |
ABC2D2E14F16 |
-84.52 |
2.35 |
-9.66 |
-0.9 |
0 |
|
|
277088 |
103826657 |
1 |
BrClNO2C12H15 |
ABCD2E12F15 |
-73.43 |
4.3 |
-9.56 |
-0.75 |
0 |
|
|
277089 |
103826668 |
1 |
BrClNO2C13H15 |
ABCD2E13F15 |
-73.53 |
6.11 |
-9.51 |
-0.65 |
0 |
|
|
277090 |
103826671 |
1 |
BrClNOC12H13 |
ABCDE12F13 |
-9.43 |
4.3 |
-9.67 |
-0.82 |
0 |
|
|
277091 |
103826680 |
1 |
BrClON3C15H17 |
ABCD3E15F17 |
-9.35 |
2.44 |
-8.7 |
-0.95 |
0 |
|
|
277092 |
103826681 |
1 |
BrClON3C13H13 |
ABCD3E13F13 |
11.61 |
4.29 |
-9.5 |
-0.97 |
0 |
|
|
277093 |
103826685 |
1 |
BrClON2C16H22 |
ABCD2E16F22 |
-53.2 |
3.44 |
-8.76 |
-0.88 |
0 |
|
|
277094 |
103826686 |
1 |
BrClN2O3H10C14 |
ABC2D3E10F14 |
-4.87 |
5.59 |
-10.18 |
-1.53 |
0 |
|
|
277095 |
103826687 |
1 |
BrClNOC13H15 |
ABCDE13F15 |
-21.45 |
4.13 |
-9.74 |
-0.74 |
0 |
|
|
277096 |
103826688 |
1 |
BrClN2O2C14H16 |
ABC2D2E14F16 |
-82.19 |
2.24 |
-9.35 |
-1.03 |
0 |
|
|
277097 |
103826694 |
1 |
BrClNO2H13C16 |
ABCD2E13F16 |
-32.46 |
2.53 |
-9.39 |
-0.94 |
0 |
|
|
277098 |
103826703 |
1 |
BrClN2O2C11H12 |
ABC2D2E11F12 |
-75.7 |
1.53 |
-9.85 |
-1.26 |
0 |
|
|
277099 |
103826709 |
1 |
BrClON2C16H20 |
ABCD2E16F20 |
-34.55 |
4.54 |
-8.62 |
-0.92 |
0 |
|
|
277100 |
103826710 |
1 |
BrClOSN2C14H14 |
ABCDE2F14G14 |
-14.84 |
3.09 |
-9.32 |
-0.94 |
0 |
|
|
277101 |
103826717 |
1 |
BrClON2C13H16 |
ABCD2E13F16 |
-35.03 |
3.18 |
-8.81 |
-0.96 |
0 |
|
|
277102 |
103826723 |
1 |
BrClON2C16H22 |
ABCD2E16F22 |
-36.54 |
5.2 |
-9.04 |
-0.75 |
0 |
|
|
277103 |
103826732 |
1 |
BrClNO2C12H15 |
ABCD2E12F15 |
-73.64 |
4.48 |
-9.64 |
-0.84 |
0 |
|
|
277104 |
103826734 |
1 |
BrClN2O2C15H18 |
ABC2D2E15F18 |
-86.66 |
3.13 |
-9.75 |
-0.85 |
0 |
|
|
277105 |
103826737 |
1 |
BrClNO2C12H13 |
ABCD2E12F13 |
-72.73 |
1.47 |
-9.81 |
-1.03 |
0 |
|
|
277106 |
103826744 |
1 |
BrClSN2O3H10C13 |
ABCD2E3F10G13 |
-70.7 |
3.82 |
-9.51 |
-1.28 |
0 |
|
|
277107 |
103826757 |
1 |
BrClNO2C12H15 |
ABCD2E12F15 |
-71.92 |
4.86 |
-9.61 |
-0.81 |
0 |
|
|
277108 |
103826764 |
1 |
BrClNO2C13H17 |
ABCD2E13F17 |
-83.34 |
4.01 |
-10.01 |
-1.0 |
0 |
|
|
277109 |
103826765 |
1 |
BrClON2C14H16 |
ABCD2E14F16 |
-2.44 |
3.92 |
-8.98 |
-0.87 |
0 |
|
|
277110 |
103826768 |
1 |
BrClOSN2H12C13 |
ABCDE2F12G13 |
3.52 |
3.95 |
-9.42 |
-0.84 |
0 |
|
|
277111 |
103826778 |
1 |
BrClFNO2H10C14 |
ABCDE2F10G14 |
-84.1 |
4.71 |
-8.86 |
-1.03 |
0 |
|
|
277112 |
103826779 |
1 |
BrCl2N2O2H9C14 |
AB2C2D2E9F14 |
-48.84 |
4.39 |
-9.64 |
-1.4 |
0 |
|
|
277113 |
103826789 |
1 |
BrClON3H9C14 |
ABCD3E9F14 |
38.06 |
3.62 |
-8.98 |
-1.23 |
0 |
|
|
277114 |
103826792 |
1 |
BrClNOC12H13 |
ABCDE12F13 |
-14.18 |
4.35 |
-9.74 |
-0.77 |
0 |
|
|
277115 |
103826796 |
1 |
BrClNOC14H17 |
ABCDE14F17 |
-41.08 |
4.58 |
-9.6 |
-0.79 |
0 |
|
|
277116 |
103826801 |
1 |
BrClNOF3H8C10 |
ABCDE3F8G10 |
-184.5 |
3.01 |
-10.12 |
-1.06 |
0 |
|
|
277117 |
103826802 |
1 |
BrClON3H13C14 |
ABCD3E13F14 |
13.69 |
2.58 |
-9.01 |
-1.02 |
0 |
|
|
277118 |
103826823 |
1 |
BrClNOF3C12H12 |
ABCDE3F12G12 |
-198.97 |
3.07 |
-10.07 |
-0.99 |
0 |
|
|
277119 |
103826825 |
1 |
BrClSN2O3H10C13 |
ABCD2E3F10G13 |
-70.44 |
6.49 |
-9.85 |
-1.5 |
0 |
|
|
277120 |
103826843 |
1 |
BrClNOC11H11 |
ABCDE11F11 |
-4.44 |
4.22 |
-9.72 |
-0.83 |
0 |
|
|
277121 |
103826851 |
1 |
BrClNOSC12H15 |
ABCDEF12G15 |
-40.45 |
4.0 |
-8.76 |
-0.93 |
0 |
|
|
277122 |
103826860 |
1 |
BrClN2O2C13H18 |
ABC2D2E13F18 |
-66.94 |
3.16 |
-9.08 |
-0.97 |
0 |
|
|
277123 |
103826864 |
1 |
BrClNO3C14H15 |
ABCD3E14F15 |
-120.69 |
5.24 |
-9.75 |
-0.82 |
0 |
|
|
277124 |
103826865 |
1 |
BrClN2O3H10C14 |
ABC2D3E10F14 |
-5.33 |
3.05 |
-10.18 |
-1.49 |
0 |
|
|
277125 |
103826870 |
1 |
BrClON3C13H13 |
ABCD3E13F13 |
8.08 |
1.31 |
-8.79 |
-1.03 |
0 |
|
|
277126 |
103826871 |
1 |
BrClNO2C12H15 |
ABCD2E12F15 |
-82.64 |
3.16 |
-9.9 |
-0.87 |
0 |
|
|
277127 |
103826873 |
1 |
BrClON2H8C10 |
ABCD2E8F10 |
11.2 |
3.66 |
-10.11 |
-1.05 |
0 |
|
|
277128 |
103826877 |
1 |
BrClNOC13H15 |
ABCDE13F15 |
-40.47 |
4.5 |
-9.6 |
-0.8 |
0 |
|
|
277129 |
103826884 |
1 |
BrClNO3C12H13 |
ABCD3E12F13 |
-114.77 |
5.23 |
-9.88 |
-0.83 |
0 |
|
|
277130 |
103826885 |
1 |
BrClON2C13H16 |
ABCD2E13F16 |
-22.38 |
5.65 |
-9.22 |
-0.76 |
0 |
|
|
277131 |
103826898 |
1 |
BrClNOC13H15 |
ABCDE13F15 |
-15.72 |
4.16 |
-9.58 |
-0.8 |
0 |
|
|
277132 |
103826901 |
1 |
BrClN3O3H11C13 |
ABC3D3E11F13 |
-56.99 |
1.42 |
-8.97 |
-1.07 |
0 |
|
|
277133 |
103826908 |
1 |
BrClNO3C14H17 |
ABCD3E14F17 |
-130.49 |
2.31 |
-9.9 |
-0.87 |
0 |
|
|
277134 |
103826910 |
1 |
BrClNOH11C15 |
ABCDE11F15 |
7.77 |
4.13 |
-9.5 |
-0.88 |
0 |
|
|
277135 |
103826916 |
1 |
BrClO2N3H11C12 |
ABC2D3E11F12 |
-11.1 |
5.08 |
-9.93 |
-0.93 |
0 |
|
|
277136 |
103826919 |
1 |
BrClNO2C12H13 |
ABCD2E12F13 |
-66.34 |
2.37 |
-9.88 |
-0.96 |
0 |
|
|
277137 |
103826930 |
1 |
BrClNSO2C11H11 |
ABCDE2F11G11 |
-48.51 |
4.46 |
-8.77 |
-1.02 |
0 |
|
|
277138 |
103826931 |
1 |
BrClNOF3H10C12 |
ABCDE3F10G12 |
-164.06 |
3.22 |
-10.12 |
-1.06 |
0 |
|
|
277139 |
103826939 |
1 |
BrClNOSC13H15 |
ABCDEF13G15 |
-37.83 |
2.04 |
-8.69 |
-1.07 |
0 |
|
|
277140 |
103826954 |
1 |
BrClNOC13H13 |
ABCDE13F13 |
-23.81 |
3.76 |
-9.83 |
-0.9 |
0 |
|
|
277141 |
103826966 |
1 |
BrClON2C15H18 |
ABCD2E15F18 |
-27.99 |
4.62 |
-8.91 |
-0.8 |
0 |
|
|
277142 |
103826985 |
1 |
BrClNOC14H17 |
ABCDE14F17 |
-44.25 |
4.93 |
-9.59 |
-0.77 |
0 |
|
|
277143 |
103826998 |
1 |
BrClOSN2C14H14 |
ABCDE2F14G14 |
-8.68 |
4.18 |
-9.69 |
-0.91 |
0 |
|
|
277144 |
103827006 |
1 |
BrClSN3O3C11H13 |
ABCD3E3F11G13 |
-90.62 |
5.16 |
-9.73 |
-0.96 |
0 |
|
|
277145 |
103827010 |
1 |
BrClNOC13H15 |
ABCDE13F15 |
-39.35 |
5.04 |
-9.57 |
-0.78 |
0 |
|
|
277146 |
103827016 |
1 |
BrClON2H12C14 |
ABCD2E12F14 |
-3.83 |
3.97 |
-9.26 |
-1.08 |
0 |
|
|
277147 |
103827023 |
1 |
BrClON2C14H14 |
ABCD2E14F14 |
-3.51 |
4.3 |
-10.04 |
-0.96 |
0 |
|
|
277148 |
103827028 |
1 |
BrClNOSC12H13 |
ABCDEF12G13 |
-30.89 |
2.97 |
-8.88 |
-0.93 |
0 |
|
|
277149 |
103827045 |
1 |
BrClNOC12H13 |
ABCDE12F13 |
-20.72 |
4.3 |
-9.62 |
-0.83 |
0 |