Table 2 The table gives the ZINC database IDs for the 157 drug-like molecules that are manually clustered in 6 groups, depending on their basic ring systems (clusters 4 to 6). To each ID the prefix ZINC has to be added.
From: Breaking the hierarchy - a new cluster selection mechanism for hierarchical clustering methods
Cluster 4 | Cluster 5 | Cluster 6 |
|---|---|---|
06874736 | 06873829 | 06873904 |
06874744 | 06873897 | 06874113 |
06874755 | 06873901 | 06874115 |
06874798 | 06873930 | 06874117 |
06874808 | 06873933 | 06874119 |
06874864 | 06873939 | |
06874868 | 06873956 | |
06874869 | 06874021 | |
06874875 | 06874026 | |
06874877 | 06874030 | |
06874881 | 06874032 | |
06874882 | 06874035 | |
06874885 | 06874172 | |
06874886 | 06874192 | |
06874889 | 06874194 | |
06874897 | 06874197 | |
06875071 | 06874201 | |
06875075 | 06874554 | |
06875077 | 06874560 | |
06875082 | 06875035 | |
06875084 | 06875039 | |
06875086 | 06875044 | |
06875091 | ||
06875097 |