0 B8R0.3 CCOC(=O)[C@H](CO)N AB46080 [1,0,0,0,0,0|1,0,0]=2 1 B8R0.5 CCOC(=O)CC(=N)N AB29705 [1,0,0,0,0,0|2,0,1]=4 2 B8R0.5 CCOC(=O)CC(=O)O AB01280 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.5 CCOC(=O)CC(F)F AB71794 [1,0,0,0,0,0|2,0,0]=3 5 B10R0.101 CCOC(=O)C(CN)C(F)F AB85544 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.61 CC(C)C1C(=O)NCCN1 AB05504 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.61 CC(C)[C@@H]1C(=O)NCCN1 AB37161 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.61 CC(C)[C@H]1C(=O)NCCN1 AB37158 [0,0,0,1,0,0|3,0,0]=4 9 B7R0.10 CCC(C(=O)OC)N AB16757 [2,0,0,0,0,0|1,0,0]=3 10 B7R0.16 CC(C)[C@@H](C(=O)O)N AB02570 [2,0,0,0,0,0|2,0,0]=4 11 B7R0.16 CC(C)[C@H](C(=O)O)N AB02568 [2,0,0,0,0,0|2,0,0]=4 12 B7R0.7 CCOC(=O)C#CC AB01182 [2,0,0,0,0,0|0,0,2]=4 13 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [2,0,0,0,0,0|1,0,1]=4 14 B9R0.19 CCC(C)(C(=O)OCC)N AB12009 [1,1,0,0,0,0|0,0,0]=2 15 B9R0.19 CC[C@](C)(C(=O)OCC)N AB26229 [1,1,0,0,0,0|0,0,0]=2 16 B9R0.35 CCCC(=O)C(=O)OCC AB25061 [1,1,0,0,0,0|1,0,1]=4 17 B9R0.35 CCOC(=N)C(=O)OCC AB60910 [1,1,0,0,0,0|1,0,1]=4 18 B9R0.34 CCOC(=O)CC(C=C)O MB69298 [1,1,0,0,0,0|0,0,1]=3 19 B9R0.34 CCOC(=O)CC(C=O)Cl AB76485 [1,1,0,0,0,0|1,0,1]=4 20 B11R0.7 CCOC(=O)C(CN)C(F)(F)F AB85547 [0,2,0,0,0,0|2,0,0]=4 21 B9R1.101 COC(=O)C(C1CC1)N CB11621 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.15 CCC1C(=O)CCCN1 AB43253 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.15 CCC1C(=O)NCCN1 AB22426 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.15 CCC1CCCCC1=O AB02693 [1,0,0,1,0,0|1,0,0]=3 25 B9R1.15 CCC1COCCC1=O AB75455 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.15 CC[C@@H]1C(=O)NCCN1 AB37155 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.15 CC[C@H]1C(=O)NCCN1 AB37151 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.69 CC1CNC(C(=O)N1)C AB71858 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.69 C[C@@H]1CN[C@@H](C(=O)N1)C AB72308 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.69 C[C@@H]1CN[C@H](C(=O)N1)C AB72305 [1,0,0,1,0,0|2,0,0]=4 31 B9R1.69 C[C@H]1CN[C@@H](C(=O)N1)C AB72311 [1,0,0,1,0,0|2,0,0]=4 32 B9R1.69 C[C@H]1CN[C@H](C(=O)N1)C AB72303 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.48 CC1CC(=O)NCCN1 PB15399 [1,0,0,1,0,0|2,0,0]=4 34 B11R1.839 CCOC(=O)CC1CC1(F)F AB85425 [0,0,0,1,0,1|2,0,0]=4 35 B11R1.15 CCOC(=O)C1CCN(C1)C AB65422 [0,0,0,1,0,1|2,0,0]=4 36 B11R1.15 CCOC(=O)[C@@H]1COC(=N1)C AB14234 [0,0,0,1,0,1|0,0,1]=3 37 B11R1.821 CCOC(=O)C1CC(C1)(F)F AB71467 [0,0,0,1,0,1|2,0,0]=4 38 B11R1.833 CCOC(=O)C1(CC(=O)C1)C PB36405 [0,0,0,1,0,1|0,0,2]=4 39 B11R1.833 CCOC(=O)[C@]1(C[C@@H](C1)N)C PB36712 [0,0,0,1,0,1|1,0,0]=3 40 B11R1.833 CCOC(=O)[C@]1(C[C@@H](C1)O)C PB38290 [0,0,0,1,0,1|0,0,0]=2 41 B11R1.833 CCOC(=O)[C@]1(C[C@H](C1)N)C PB35444 [0,0,0,1,0,1|1,0,0]=3 42 B11R1.833 CCOC(=O)[C@]1(C[C@H](C1)O)C PB35145 [0,0,0,1,0,1|0,0,0]=2 43 B11R1.199 CCOC(=O)C1C(CCN1)N AB50131 [0,1,0,1,0,0|1,0,0]=3 44 B11R1.199 CCOC(=O)C1CCNC1=O AB29427 [0,1,0,1,0,0|0,0,2]=4 45 B11R1.199 CCOC(=O)C1COCC1=O AB70736 [0,1,0,1,0,0|0,0,2]=4 46 B11R1.199 CCOC(=O)C1CSCC1=O PB14237 [0,1,0,1,0,0|0,0,2]=4 47 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N AB50600 [0,1,0,1,0,0|1,0,0]=3 48 B11R1.835 CCOC(=O)C1(CC1)C(=O)O AB48326 [0,1,0,1,0,0|1,0,1]=4