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. 2014 May 28;19(6):7008–7039. doi: 10.3390/molecules19067008

Table 3.

Distribution of the T3D values in the entire second round selection library and within the library having fusion score above 1.5.

ID Structure Analogues in the 1341 Set Lowest T3D Analogues in the 233 Set Lowest T3D Percentage in the 233 Set
2 graphic file with name molecules-19-07008-i009.jpg 155 0.24 30 0.69 19.35
3 graphic file with name molecules-19-07008-i011.jpg 476 0.19 16 0.63 3.36
5 graphic file with name molecules-19-07008-i013.jpg 27 0.33 9 1.00 33.33
4 graphic file with name molecules-19-07008-i015.jpg 13 0.28 6 0.72 46.15
1 graphic file with name molecules-19-07008-i017.jpg 273 0.30 116 0.62 42.49
6 graphic file with name molecules-19-07008-i018.jpg 117 0.29 12 0.70 10.26
7 graphic file with name molecules-19-07008-i020.jpg 280 0.28 44 0.64 15.71