Search is not available for this dataset
Unnamed: 0
int64
0
3.89k
O_relative
float64
0
0.17
Similarity
float64
-4.51
-2.28
S
float64
0
3.39
C_rel_2D
float64
-1.84
1.43
allAtoms_rel_2D
float64
-1.84
1.23
C_rel_XY_3D
float64
-0.55
1.76
allAtoms_rel_XY_3D
float64
-0.23
1.32
MMY_3D
float64
1.11
2.39
CBUC
float64
0
0
mean_C**SX6_S
float64
-6.05
3.34
mean_H**SX6_S
float64
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C_rel**MMZ6_3D
float64
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MMX_3D
float64
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2.97
YZ_3D_volume
float64
-11.83
3.55
XY_3D_volume
float64
-8.96
1.71
XZ_3D_volume
float64
-15.42
3.56
MMY6_3D
float64
-0.93
2.2
MMX
float64
0.96
2.92
C_relative
float64
-1.28
-0.6
HBDC
float64
0
1.62
mean_H_rel**MM_3D
float64
-21.27
-6.02
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62
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