0 B8R0.4 NCCCCCCCO D74762 [0,1,0,0,0,0|0,0,2]=3 1 B8R1.2 BrCC1CCSCC1 D84726 [0,0,0,1,0,0|2,0,1]=4 2 B8R1.2 CC[C@H]1CCCCN1 Y10393 [0,0,0,1,0,0|1,0,2]=4 3 B8R1.2 NC[C@H]1CCCOC1 P15860 [0,0,0,1,0,0|2,0,1]=4 4 B8R1.2 NC[C@H]1CCCOC1 P15862 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.2 OC[C@H]1CCCCO1 92919 [0,0,0,1,0,0|1,0,2]=4 6 B8R1.2 OC[C@H]1CCCCO1 P13405 [0,0,0,1,0,0|1,0,2]=4 7 B8R1.2 OC[C@H]1CCCOC1 P13406 [0,0,0,1,0,0|1,0,1]=3 8 B8R1.2 OC[C@H]1CCCOC1 P13407 [0,0,0,1,0,0|1,0,1]=3 9 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [0,0,0,1,0,0|1,0,2]=4 10 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [0,0,0,1,0,0|1,0,2]=4 11 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [0,0,0,1,0,0|1,0,2]=4 12 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [0,0,0,1,0,0|1,0,1]=3 13 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [0,0,0,1,0,0|1,0,1]=3 16 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [0,0,0,1,0,0|1,0,1]=3 17 B8R1.5 N[C@@H]1COCC[C@@H]1O P16446 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.5 N[C@@H]1COCC[C@@H]1O P21118 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.5 N[C@@H]1COCC[C@@H]1O P21119 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.5 O[C@@H]1CCNC[C@@H]1F 73030 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.5 O[C@@H]1CCOC[C@@H]1F P16658 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.5 O[C@H]1CCNC[C@@H]1F 73096 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.5 O[C@H]1CCOC[C@@H]1F P17909 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.8 CCC[C@H]1CCCN1 D85246 [0,0,0,1,0,0|1,0,2]=4 25 B8R1.8 NCC[C@H]1CCOC1 D96809 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.10 OCCCC1CNC1 D96736 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.11 CC1CCCC1CO 72730 [0,0,0,1,0,0|0,0,2]=3 28 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [0,0,0,1,0,0|1,0,1]=3 29 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [0,0,0,1,0,0|1,0,1]=3 30 B8R1.11 C[C@H]1CNC[C@@H]1CO P18720 [0,0,0,1,0,0|1,0,1]=3 31 B8R1.11 OC[C@H]1NCC[C@@H]1O 95527 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.12 OC[C@H]1CC[C@@H]1CO AT20082 [0,0,0,1,0,0|1,0,2]=4 33 B8R1.22 F[C@H]1CCCNCC1 72243 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.22 N[C@H]1CCCOCC1 33401 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.49 C1=CCCC=CCC1 F10040 [0,0,0,1,0,0|1,0,1]=3 36 B5R0.2 CSCCCCl Y14621 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.2 NC\C=C/CN C13830 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.3 CNC(=O)CCCO F10217 [1,1,0,0,0,0|1,0,0]=3 39 B7R0.4 CC(=O)OCCCO Y14698 [1,1,0,0,0,0|1,0,0]=3 40 B9R0.5 CCCCNC(=O)CCC D86376 [0,2,0,0,0,0|1,0,1]=4 41 B9R0.34 CCOC(=O)C[C@@H](N)CC Y13948 [0,2,0,0,0,0|2,0,0]=4 42 B9R0.34 CCOC(=O)C[C@@H](O)CC D96332 [0,2,0,0,0,0|2,0,0]=4 43 B7R1.1 CC[C@H]1CCCN1 Y11636 [1,0,0,1,0,0|1,0,1]=4 44 B7R1.1 CC[C@H]1CCNC1 P14868 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.1 FC[C@H]1CCNC1 P18732 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.1 OC[C@@H]1C=CCC1 74782 [1,0,0,1,0,0|0,0,0]=2 47 B7R1.4 C[C@@H]1NCC[C@@H]1O C77439 [1,0,0,1,0,0|1,0,0]=3 48 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.4 C[C@H]1NCC[C@@H]1O AT22501 [1,0,0,1,0,0|1,0,0]=3 50 B7R1.4 C[C@H]1NCC[C@@H]1O P21062 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.6 BrCC[C@H]1CCO1 D79156 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.6 ICC[C@H]1CCO1 D79155 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.6 NCC[C@H]1CCO1 D79157 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.6 NCC[C@H]1CCO1 P17247 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.6 OCC[C@H]1CCO1 D84844 [1,0,0,1,0,0|1,0,0]=3 56 B7R1.6 OCC[C@H]1CCO1 P19429 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.8 OCC1CCC1F P19725 [1,0,0,1,0,0|1,0,1]=4 58 B7R1.8 OCC1CCC1O P20965 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.2 C[C@@H]1CNC[C@H](CO)O1 AT18640 [0,1,0,1,0,0|1,0,1]=4 60 B9R1.15 CN1CCOC[C@@H]1CO 77627 [0,1,0,1,0,0|1,0,1]=4 61 B9R1.15 C[C@@H]1OCCN[C@H]1CO 77688 [0,1,0,1,0,0|1,0,1]=4 62 B9R1.15 NC1CCOCC1CO P19367 [0,1,0,1,0,0|1,0,1]=4 63 B9R1.15 N[C@H]1CCCC[C@@H]1CO AC1009 [0,1,0,1,0,0|0,0,2]=4 64 B9R1.15 N[C@H]1CCCC[C@H]1CO F18294 [0,1,0,1,0,0|0,0,2]=4 65 B9R1.15 OC[C@@H]1CCNC[C@@H]1F 37990 [0,1,0,1,0,0|1,0,1]=4 66 B9R1.5 CC1CNCCCC1O 73109 [0,1,0,1,0,0|0,0,2]=4 67 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.89 OC[C@H]1CNCCCO1 32455 [0,1,0,1,0,0|1,0,1]=4 69 B9R1.89 OC[C@H]1CNCCCO1 53531 [0,1,0,1,0,0|1,0,1]=4 70 B9R1.1 C[C@H]1CC[C@@H](CO)CC1 P18076 [0,1,0,1,0,0|0,0,2]=4 71 B9R1.1 C[C@H]1CC[C@H](CO)CN1 W19702 [0,1,0,1,0,0|1,0,1]=4 72 B9R1.11 N[C@@H](CO)C1CCCC1 N11333 [0,1,0,1,0,0|0,0,2]=4 73 B9R1.118 OC[C@]1(F)CCCNC1 69591 [0,1,0,1,0,0|1,0,1]=4 74 B9R1.40 CC1(C)COCC[C@@H]1O Y13542 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.40 CC1CNCCC1(C)O 73158 [0,1,0,1,0,0|1,0,1]=4 76 B9R2.53 OC1C2CNCC1C2 38098 [0,0,0,2,0,0|1,0,1]=4 77 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 P11773 [0,0,0,2,0,0|1,0,1]=4 78 B9R2.68 C1NCC2CC1CO2 P19043 [0,0,0,2,0,0|1,0,1]=4 79 B9R2.39 OC1CC2CNC1C2 P15968 [0,0,0,2,0,0|1,0,1]=4 80 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 P15209 [0,0,0,2,0,0|1,0,1]=4 81 B9R2.39 O[C@H]1C[C@H]2CC[C@@H]1N2 P15722 [0,0,0,2,0,0|1,0,1]=4 82 B9R2.3 C1C[C@@H]2CNC[C@@H]2O1 D79340 [0,0,0,2,0,0|1,0,1]=4 83 B9R2.5 O[C@H]1CCCC12CC2 92334 [0,0,0,2,0,0|0,0,2]=4 84 B9R2.36 OC1CCC1C2CC2 84015 [0,0,0,2,0,0|0,0,2]=4