mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
1.4 KiB
1.4 KiB
| 1 | ZINC03814464 | 0.838677 | CLS_ID_1 |
|---|---|---|---|
| 2 | ZINC03814465 | 0.826145 | CLS_ID_1 |
| 3 | ZINC00023841 | 0.698989 | CLS_ID_1 |
| 4 | ZINC03814455 | 0.605231 | CLS_ID_1 |
| 5 | ZINC00023543 | 0.940104 | CLS_ID_2 |
| 6 | ZINC03814458 | 0.837291 | CLS_ID_2 |
| 7 | ZINC00603011 | 0.835235 | CLS_ID_2 |
| 8 | ZINC03814462 | 0.823887 | CLS_ID_2 |
| 9 | ZINC03814459 | 0.820716 | CLS_ID_2 |
| 10 | ZINC03814460 | 0.810475 | CLS_ID_2 |
| 11 | ZINC03814457 | 0.725344 | CLS_ID_2 |
| 12 | ZINC03814479 | 0.719983 | CLS_ID_2 |
| 13 | ZINC03814451 | 0.687909 | CLS_ID_2 |
| 14 | ZINC01649340 | 0.817402 | CLS_ID_3 |
| 15 | ZINC00582575 | 0.756404 | CLS_ID_3 |
| 16 | ZINC01641925 | 0.755115 | CLS_ID_3 |
| 17 | ZINC03591113 | 0.734619 | CLS_ID_3 |
| 18 | ZINC03814437 | 0.716541 | CLS_ID_3 |
| 19 | ZINC01487345 | 0.702991 | CLS_ID_3 |
| 20 | ZINC03814439 | 0.633099 | CLS_ID_3 |
| 21 | ZINC03814452 | 0.584884 | CLS_ID_3 |
| 22 | ZINC03814454 | 0.580148 | CLS_ID_3 |
| 23 | ZINC00023904 | 0.815039 | CLS_ID_4 |
| 24 | ZINC03814476 | 0.789511 | CLS_ID_4 |
| 25 | ZINC03814475 | 0.780452 | CLS_ID_4 |
| 26 | ZINC03814477 | 0.762130 | CLS_ID_4 |
| 27 | ZINC03814478 | 0.749785 | CLS_ID_4 |
| 28 | ZINC03814449 | 0.570879 | CLS_ID_4 |
| 29 | ZINC03814450 | 0.515943 | CLS_ID_4 |
| 30 | ZINC03814453 | 0.512160 | CLS_ID_4 |
| 31 | ZINC03814433 | 0.511117 | CLS_ID_4 |
| 32 | ZINC04617745 | 0.503079 | CLS_ID_4 |
| 33 | ZINC03814443 | 0.786161 | CLS_ID_5 |
| 34 | ZINC04617747 | 0.736248 | CLS_ID_5 |
| 35 | ZINC03814447 | 0.724952 | CLS_ID_5 |
| 36 | ZINC03814469 | 0.709599 | CLS_ID_5 |
| 37 | ZINC03814470 | 0.704349 | CLS_ID_5 |
| 38 | ZINC03814467 | 0.685141 | CLS_ID_5 |
| 39 | ZINC03831630 | 0.679915 | CLS_ID_5 |
| 40 | ZINC03814468 | 0.671863 | CLS_ID_5 |
| 41 | ZINC03814440 | 0.648378 | CLS_ID_5 |
| 42 | ZINC03814441 | 0.633584 | CLS_ID_5 |
| 43 | ZINC00003491 | 0.625852 | CLS_ID_5 |
| 44 | ZINC04617746 | 0.616523 | CLS_ID_5 |
| 45 | ZINC04617748 | 0.575958 | CLS_ID_5 |
| 46 | ZINC03814444 | 0.568298 | CLS_ID_5 |
| 47 | ZINC03814473 | 0.552112 | CLS_ID_5 |