Spaces:
Sleeping
Sleeping
| RDKit 2D | |
| 22 23 0 0 0 0 0 0 0 0999 V2000 | |
| 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -9.7500 1.2990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 2 3 1 0 | |
| 3 4 1 0 | |
| 4 5 2 0 | |
| 4 6 1 0 | |
| 6 7 1 0 | |
| 7 8 2 0 | |
| 8 9 1 0 | |
| 9 10 2 0 | |
| 10 11 1 0 | |
| 11 12 1 0 | |
| 12 13 1 0 | |
| 13 14 2 0 | |
| 14 15 1 0 | |
| 15 16 2 0 | |
| 16 17 1 0 | |
| 16 18 1 0 | |
| 18 19 2 0 | |
| 10 20 1 0 | |
| 20 21 2 0 | |
| 21 22 1 0 | |
| 21 7 1 0 | |
| 19 13 1 0 | |
| M END | |
| > <ID> (1) | |
| CHEMBL41355 | |
| $$$$ | |
| RDKit 2D | |
| 23 23 0 0 0 0 0 0 0 0999 V2000 | |
| 7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0000 7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 2 3 1 0 | |
| 3 4 1 0 | |
| 4 5 1 0 | |
| 5 6 1 0 | |
| 6 7 2 0 | |
| 7 8 1 0 | |
| 8 9 1 0 | |
| 8 10 2 0 | |
| 10 11 1 0 | |
| 11 12 1 0 | |
| 12 13 2 0 | |
| 13 14 1 0 | |
| 13 15 1 0 | |
| 15 16 1 0 | |
| 16 17 1 0 | |
| 17 18 2 0 | |
| 18 19 1 0 | |
| 18 20 1 0 | |
| 10 21 1 0 | |
| 21 22 1 0 | |
| 21 23 2 0 | |
| 23 6 1 0 | |
| M END | |
| > <ID> (2) | |
| CHEMBL497318 | |
| $$$$ | |
| RDKit 2D | |
| 26 29 0 0 0 0 0 0 0 0999 V2000 | |
| -3.7527 6.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.6380 5.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2114 6.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0967 5.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.4086 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7062 2.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.1328 3.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2475 2.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6741 2.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7888 1.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.2154 2.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 8.3301 1.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 9.7567 1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.8714 0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.2980 0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 12.6098 2.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 11.4951 3.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 10.0685 2.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0323 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0323 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.1470 1.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.8351 3.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.9499 4.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 2 0 | |
| 2 3 1 0 | |
| 3 4 2 0 | |
| 4 5 1 0 | |
| 5 6 2 0 | |
| 6 7 1 0 | |
| 7 8 1 0 | |
| 8 9 1 0 | |
| 9 10 1 0 | |
| 10 11 1 0 | |
| 11 12 1 0 | |
| 12 13 1 0 | |
| 13 14 2 0 | |
| 14 15 1 0 | |
| 15 16 2 0 | |
| 16 17 1 0 | |
| 17 18 2 0 | |
| 6 19 1 0 | |
| 19 20 1 0 | |
| 20 21 2 0 | |
| 21 22 1 0 | |
| 22 23 1 0 | |
| 23 24 1 0 | |
| 24 25 2 0 | |
| 25 26 1 0 | |
| 26 2 1 0 | |
| 25 5 1 0 | |
| 18 13 1 0 | |
| 23 19 2 0 | |
| M END | |
| > <ID> (3) | |
| CHEMBL444449 | |
| $$$$ | |
| RDKit 2D | |
| 24 26 0 0 0 0 0 0 0 0999 V2000 | |
| 1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7500 -3.8971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.0000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5000 -5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 2 3 1 0 | |
| 3 4 1 0 | |
| 3 5 1 0 | |
| 5 6 2 0 | |
| 6 7 1 0 | |
| 7 8 2 0 | |
| 8 9 1 0 | |
| 8 10 1 0 | |
| 10 11 2 0 | |
| 2 12 1 0 | |
| 12 13 1 0 | |
| 13 14 1 0 | |
| 14 15 1 0 | |
| 15 16 1 0 | |
| 16 17 1 0 | |
| 17 18 2 0 | |
| 18 19 1 0 | |
| 19 20 2 0 | |
| 20 21 1 0 | |
| 21 22 2 0 | |
| 15 23 1 0 | |
| 23 24 1 0 | |
| 11 5 1 0 | |
| 24 12 1 0 | |
| 22 17 1 0 | |
| M END | |
| > <ID> (4) | |
| CHEMBL305187 | |
| $$$$ | |
| RDKit 2D | |
| 21 22 0 0 0 0 0 0 0 0999 V2000 | |
| 6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.7500 3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0000 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.2500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.7500 6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.0000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.5000 5.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 2 1 0 | |
| 2 3 1 0 | |
| 3 4 1 0 | |
| 4 5 1 0 | |
| 5 6 1 0 | |
| 6 7 1 0 | |
| 7 8 1 0 | |
| 8 9 1 0 | |
| 9 10 1 0 | |
| 10 11 1 0 | |
| 11 12 2 0 | |
| 11 13 1 0 | |
| 13 14 1 0 | |
| 14 15 2 0 | |
| 15 16 1 0 | |
| 15 17 1 0 | |
| 17 18 2 0 | |
| 18 19 1 0 | |
| 19 20 2 0 | |
| 20 21 1 0 | |
| 10 5 1 0 | |
| 20 14 1 0 | |
| M END | |
| > <ID> (5) | |
| CHEMBL1098 | |
| $$$$ | |