0 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [1,0,0,0,0,0|3,0,0]=4 1 B10R1.13 CC(=O)[C@H]1CC[C@H](N)CC1 AT26085 [0,0,0,1,0,0|2,0,0]=3 2 B10R1.13 CC1CCC(C(=O)O)CO1 W16296 [0,0,0,1,0,0|1,0,0]=2 3 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 C90647 [0,0,0,1,0,0|2,0,0]=3 4 B10R1.61 CC(=O)C1=C(Br)CCCC1 E70182 [0,0,0,1,0,0|1,0,2]=4 5 B10R1.61 CC(=O)C1CCCCC1F P18235 [0,0,0,1,0,0|1,0,0]=2 6 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [0,0,0,1,0,0|2,0,0]=3 7 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [0,0,0,1,0,0|2,0,0]=3 8 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C P15812 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C P18711 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.477 CC[C@@]1(C(=O)O)CCCN1 D77246 [0,0,0,1,0,0|3,0,0]=4 13 B7R0.4 CC(=O)OCCCO Y14698 [2,0,0,0,0,0|2,0,0]=4 14 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 31361 [1,1,0,0,0,0|2,0,0]=4 15 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 31362 [1,1,0,0,0,0|2,0,0]=4 16 B9R0.39 CC(C)C[C@@H](CN)C(=O)O 32003 [1,1,0,0,0,0|2,0,0]=4 17 B9R0.39 CC(C)C[C@@H](CN)C(=O)O F15243 [1,1,0,0,0,0|2,0,0]=4 18 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [1,0,0,1,0,0|2,0,0]=4 19 B9R1.5 C[C@H]1CNCCCC1=O 73108 [1,0,0,1,0,0|1,0,0]=3 20 B9R1.5 O=C1CCCNC[C@@H]1F 72716 [1,0,0,1,0,0|2,0,0]=4 21 B9R1.5 O=C1CCNCC[C@@H]1F 73001 [1,0,0,1,0,0|2,0,0]=4 22 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [1,0,0,1,0,0|2,0,0]=4 23 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [1,0,0,1,0,0|2,0,0]=4 24 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 H11003 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [1,0,0,1,0,0|2,0,0]=4 27 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20096 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 D77011 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.112 O=C(O)[C@@H](O)CC1CC1 69647 [1,0,0,1,0,0|1,0,0]=3 31 B9R1.112 O=C(O)[C@@H](O)CC1CC1 AT26814 [1,0,0,1,0,0|1,0,0]=3 32 B9R1.163 C[C@@]1(C(=O)O)CCCO1 P20957 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.1 CN1CCC(C=O)CC1 23787 [1,0,0,1,0,0|2,0,0]=4 34 B9R1.1 C[C@H]1CC[C@@H](CO)CC1 P18076 [1,0,0,1,0,0|0,0,1]=3 35 B9R1.1 C[C@H]1CC[C@H](CO)CN1 W19702 [1,0,0,1,0,0|1,0,1]=4 36 B9R1.1 N[C@H]1CC[C@H](CO)OC1 P20704 [1,0,0,1,0,0|2,0,0]=4 37 B9R1.15 CN1CCOC[C@@H]1CO 77627 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.15 CN[C@H]1CCCCC1=O 79572 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.15 CO[C@H]1CCCC[C@H]1N P20242 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.15 N[C@H]1CCCC[C@@H]1CO AC1009 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.15 N[C@H]1CCCC[C@H]1CO F18294 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.89 OC[C@H]1CNCCCO1 32455 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.89 OC[C@H]1CNCCCO1 53531 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.33 COC[C@H]1CCCC1=O 79670 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.41 CN(C)[C@H]1CCC[C@@H]1O D79450 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [1,0,0,1,0,0|2,0,0]=4 50 B11R1.20 C[C@H]1CC[C@H](CC(=O)O)CC1 50017 [0,0,0,1,0,1|2,0,0]=4 51 B11R1.24 CCCCC1=CC(=O)CCC1 D94147 [0,0,0,1,0,1|1,0,1]=4 52 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 60615 [0,1,0,1,0,0|2,0,0]=4 53 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 C13702 [0,1,0,1,0,0|1,0,0]=3 54 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 P16384 [0,1,0,1,0,0|1,0,0]=3 55 B11R1.44 COC(=O)[C@H]1CC[C@@H](CO)C1 P16294 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.222 COC(=O)C1CCNCC1F P16241 [0,1,0,1,0,0|2,0,0]=4 57 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N P19164 [0,1,0,1,0,0|1,0,0]=3 58 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N P17693 [0,1,0,1,0,0|2,0,0]=4 59 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C D79695 [0,1,0,1,0,0|2,0,0]=4 60 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C D79696 [0,1,0,1,0,0|2,0,0]=4 61 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C D79694 [0,1,0,1,0,0|2,0,0]=4 62 B11R2.1839 O=C(O)C12CCC(CC1)C2 AT22106 [0,0,0,2,0,0|2,0,0]=4 63 B11R2.1839 O=C(O)C12CC[C@@H](C1)NC2 P18994 [0,0,0,2,0,0|2,0,0]=4 64 B11R2.1839 O=C(O)C12CC[C@@H](C1)NC2 P18995 [0,0,0,2,0,0|2,0,0]=4 65 B11R2.63 CN1C2CCC(=O)C1CC2 P13193 [0,0,0,2,0,0|2,0,0]=4 66 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 D86238 [0,0,0,2,0,0|1,0,0]=3 67 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 AT24389 [0,0,0,2,0,0|2,0,0]=4 68 B11R2.813 O=C(O)C12CNCCC1C2 91950 [0,0,0,2,0,0|2,0,0]=4 69 B11R2.1869 O=C(O)[C@H]1CCC12CCC2 S10402 [0,0,0,2,0,0|2,0,0]=4 70 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [1,0,0,0,0,1|2,0,0]=4 71 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [1,0,0,0,0,1|2,0,0]=4