CML Molecules

A subset of the NCI's diversity collection (ca. 500 molecules). As MDLMolfiles with 3D coordinates and stereo-bond information. Some instances have more than one molecular fragment and are displayed over a wide spatial range - we will process these as compound molecules in future.

(Opening these files in Internet Explorer 5.x will show the XML tree directly. If you are using another browser, save the file and open it using a text or HTML editor)

1. MINI1.XML
2. MINI2.XML
3. MINI3.XML
4. MINI4.XML
5. MINI5.XML
6. MINI6.XML
7. MINI7.XML
8. MINI8.XML
9. MINI9.XML
10. MINI10.XML
11. MINI11.XML
12. MINI12.XML
13. MINI13.XML
14. MINI14.XML
15. MINI15.XML
16. MINI16.XML
17. MINI17.XML
18. MINI18.XML
19. MINI19.XML
20. MINI20.XML
21. MINI21.XML
22. MINI22.XML
23. MINI23.XML
24. MINI24.XML
25. MINI25.XML
26. MINI26.XML
27. MINI27.XML
28. MINI28.XML
29. MINI29.XML
30. MINI30.XML
31. MINI31.XML
32. MINI32.XML
33. MINI33.XML
34. MINI34.XML
35. MINI35.XML
36. MINI36.XML
37. MINI37.XML
38. MINI38.XML
39. MINI39.XML
40. MINI40.XML
41. MINI41.XML
42. MINI42.XML
43. MINI43.XML
44. MINI44.XML
45. MINI45.XML
46. MINI46.XML
47. MINI47.XML
48. MINI48.XML
49. MINI49.XML
50. MINI50.XML
51. MINI51.XML
52. MINI52.XML
53. MINI53.XML
54. MINI54.XML