0 B9R0.44 C=CCC(=O)CC(C)(C)C F30715 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.21 CC(C)(C)NCCCN AT13994 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.21 CC(C)(C)NCCCN AT13995 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.21 CC(C)(C)NCCCO W10522 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.21 CC(C)(C)OCCC=O AT13970 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.21 CC(C)(C)OCCCO AT13983 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.24 C=C[C@@H](C)CC(C)(C)C T72472 [1,0,0,0,0,0|0,0,1]=2 7 B8R0.24 CC[C@H](C)CC(C)(C)C T71897 [1,0,0,0,0,0|0,0,1]=2 8 B8R0.24 C[C@@H](CN)OC(C)(C)C AT13985 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.24 C[C@@H](CO)OC(C)(C)C AT13984 [1,0,0,0,0,0|1,0,1]=3 10 B10R0.31 CC(C)(C)C[C@H](N)CC(=O)O N14205 [0,1,0,0,0,0|1,0,0]=2 11 B10R0.31 CC(C)(C)OC(=O)CC(=O)[O-] D72690 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.33 CC1(C)CC(Cl)=C(C=O)C1 AC9522 [0,0,0,1,0,0|1,0,2]=4 13 B10R1.65 CC(C)(C)C1CCCC1N F53776 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.329 CC1CC(Br)CC(C)(C)C1 AT10305 [0,0,0,1,0,0|1,0,1]=3 15 B10R1.329 CC1CC(N)CC(C)(C)C1 A12109 [0,0,0,1,0,0|1,0,1]=3 16 B8R0.14 CC(C)(C)[C@@H](N)CCO F53862 [0,0,0,0,1,0|1,0,2]=4 17 B8R0.14 CC(C)(C)[C@@H](O)CON AT14525 [0,0,0,0,1,0|3,0,0]=4 18 B8R0.14 C[C@@H](CC=O)C(F)(F)F AT22046 [0,0,0,0,1,0|3,0,0]=4 19 B7R0.2 C[C@@H](CN)CN(C)C F12739 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.7 CCS[C@@H](C)CC=O D86335 [2,0,0,0,0,0|1,0,0]=3 21 B7R0.8 CC(C)(C)NCCN AT13989 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.8 CC(C)(C)OCCBr AT13987 [2,0,0,0,0,0|2,0,0]=4 23 B7R0.8 CC(C)(C)OCCI AT13988 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.8 CC(C)(C)OCCS AT13759 [2,0,0,0,0,0|1,1,0]=4 25 B7R0.8 CC(C)(C)SCCBr AT13957 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.8 CC(C)(C)SCCI AT13958 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.8 CC(C)(C)SCCO AT13948 [2,0,0,0,0,0|1,0,1]=4 28 B7R0.8 CC(C)(C)SCCS AT13955 [2,0,0,0,0,0|1,1,0]=4 29 B7R0.8 CCCNC(C)(C)C AT13992 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.9 C=C(C)CC(C)(C)C F21333 [2,0,0,0,0,0|0,0,1]=3 31 B7R0.9 CC(=O)CC(C)(C)N F18062 [2,0,0,0,0,0|1,0,1]=4 32 B9R0.34 CCCC(C)CC(C)CC T70352 [1,1,0,0,0,0|1,0,1]=4 33 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52003 [1,1,0,0,0,0|1,0,0]=3 34 B9R0.56 CC(=O)SCC[N+](C)(C)C C15407 [1,1,0,0,0,0|2,0,0]=4 35 B9R0.56 C[Si](C)(C)CCOC(=O)Cl S11034 [1,1,0,0,0,0|1,1,0]=4 36 B9R0.56 [2H]C([2H])(C)CCCC(=O)O D98190 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O F53739 [0,1,0,0,1,0|1,0,0]=3 38 B11R0.359 CC(CC(C)(C)C)CC(C)(C)C A10885 [0,2,0,0,0,0|1,0,1]=4 39 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [1,0,0,1,0,0|1,0,0]=3 40 B9R1.34 CC1CC(=O)CC(C)S1 89934 [1,0,0,1,0,0|1,0,0]=3 41 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [1,0,0,1,0,0|1,0,0]=3 42 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [1,0,0,1,0,0|1,0,0]=3 43 B9R1.38 C[C@@H]1CC(=O)C(C)(C)C1 T72217 [1,0,0,1,0,0|0,0,0]=2 44 B9R1.66 C[C@H]1CCCC(C)(C)C1 T72270 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.19 CC(C)(C)[C@H]1CCNC1 P16856 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.133 CC1(C)OC[C@@H](C=O)O1 F18084 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.148 CC1(C)CCCNCC1 AT20041 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.36 C[C@H]1CC(C)(C)NC1=O AT26047 [1,0,0,1,0,0|1,0,0]=3 49 B11R1.646 CC(C)(C)N1C[C@@H](N)CC1=O AT19111 [0,0,0,1,0,1|1,0,0]=3 50 B11R1.325 CC1CC(=O)CC(C)(C)C1O E71662 [0,1,0,1,0,0|0,0,0]=2 51 B11R1.10 CC1CC(C#N)CC(C)(C)C1 AT10302 [0,1,0,1,0,0|1,0,1]=4 52 B11R1.10 C[C@H]1C[C@H](CN)CC(C)(C)C1 W15277 [0,1,0,1,0,0|1,0,1]=4 53 B11R1.76 CC(C)(O)C[C@H]1COC(=O)N1 81514 [0,1,0,1,0,0|2,0,0]=4 54 B11R1.1362 C=C1CC(C)(C)NC(C)(C)C1 AT13189 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.1362 CC1(C)CC(N)CC(C)(C)C1 C15584 [0,1,0,1,0,0|1,0,1]=4 56 B11R2.1632 CC1(C)CC(=O)C2OC2C1 F12446 [0,0,0,2,0,0|1,0,0]=3 57 B7R0.14 CC(C)(C)[C@@H](N)CF 97895 [1,0,0,0,1,0|2,0,0]=4 58 B7R0.14 CC(C)(C)[C@@H](N)CF 97896 [1,0,0,0,1,0|2,0,0]=4 59 B7R0.14 CC(C)(C)[C@@H](N)CO AT21573 [1,0,0,0,1,0|1,0,1]=4 60 B7R0.14 CC(C)(C)[C@@H](N)CO AT21575 [1,0,0,0,1,0|1,0,1]=4 61 B7R0.14 CC(C)(C)[C@@H](O)CN 70290 [1,0,0,0,1,0|2,0,0]=4 62 B7R0.14 CC(C)(C)[C@H](Br)C=O F31119 [1,0,0,0,1,0|1,0,0]=3 63 B7R0.14 CC[C@H](C)C(C)(C)C T72627 [1,0,0,0,1,0|0,0,1]=3 64 B7R0.14 C\C=C(/C)C(C)(C)C D92448 [1,0,0,0,1,0|1,0,1]=4