0 B8R0.4 NCCCCCCCO D74762 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.5 CCCCNC(=O)CCC D86376 [0,1,0,0,0,0|1,0,1]=3 2 B9R1.5 CC1CNCCCC1O 73109 [0,0,0,1,0,0|3,0,0]=4 3 B9R1.8 C=CC[C@H]1CCCCN1 D81549 [0,0,0,1,0,0|1,0,2]=4 4 B9R1.8 C=CC[C@H]1CCCCN1 Y11433 [0,0,0,1,0,0|1,0,2]=4 5 B9R1.8 CCCN1CCNCC1 D87901 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.8 CCC[C@H]1CCCCN1 Y10909 [0,0,0,1,0,0|1,0,0]=2 7 B9R1.8 COC[C@H]1CCCCN1 C76178 [0,0,0,1,0,0|2,0,0]=3 8 B9R1.8 COC[C@H]1CNCCO1 C72983 [0,0,0,1,0,0|2,1,0]=4 9 B9R1.15 CN1CCOC[C@@H]1CN 77626 [0,0,0,1,0,0|2,1,0]=4 10 B9R1.15 CN1CCOC[C@@H]1CO 77627 [0,0,0,1,0,0|2,1,0]=4 11 B9R1.15 CO[C@H]1CCCC[C@H]1N P20242 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.15 CO[C@H]1COCC[C@H]1N P15827 [0,0,0,1,0,0|2,1,0]=4 13 B9R1.15 NC1CCOCC1CO P19367 [0,0,0,1,0,0|2,1,0]=4 14 B9R1.15 N[C@H]1CCCC[C@@H]1CO AC1009 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.15 N[C@H]1CCCC[C@H]1CO F18294 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.89 OC[C@H]1CNCCCO1 32455 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.89 OC[C@H]1CNCCCO1 53531 [0,0,0,1,0,0|3,0,0]=4 18 B8R0.1 C=CCC[C@@H](O)CCC D93149 [1,1,0,0,0,0|0,0,2]=4 19 B8R0.7 CN(C)CCCCCN D83961 [1,1,0,0,0,0|2,0,0]=4 20 B10R0.71 NCCCCCNCCCN F51687 [0,2,0,0,0,0|2,0,0]=4 21 B8R1.2 BrCC1CCSCC1 D84726 [1,0,0,1,0,0|2,0,0]=4 22 B8R1.2 CC[C@H]1CCCCN1 Y10393 [1,0,0,1,0,0|1,0,0]=3 23 B8R1.2 CC[C@H]1CNCCN1 C12792 [1,0,0,1,0,0|2,0,0]=4 24 B8R1.2 CN[C@H]1CCCOC1 D96690 [1,0,0,1,0,0|1,1,0]=4 25 B8R1.2 FC[C@H]1CCCCN1 P12638 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.2 FC[C@H]1CCCCN1 P14249 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.2 NC[C@H]1CCCOC1 P15860 [1,0,0,1,0,0|1,1,0]=4 28 B8R1.2 NC[C@H]1CCCOC1 P15862 [1,0,0,1,0,0|1,1,0]=4 29 B8R1.2 OC[C@H]1CCCCO1 92919 [1,0,0,1,0,0|1,1,0]=4 30 B8R1.2 OC[C@H]1CCCCO1 P13405 [1,0,0,1,0,0|1,1,0]=4 31 B8R1.2 OC[C@H]1CCCOC1 P13406 [1,0,0,1,0,0|1,1,0]=4 32 B8R1.2 OC[C@H]1CCCOC1 P13407 [1,0,0,1,0,0|1,1,0]=4 33 B8R1.5 C[C@@H]1CCNC[C@@H]1O 72843 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.5 C[C@H]1CCCC[C@@H]1N P20880 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.5 C[C@H]1CCCC[C@@H]1N P20881 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.5 C[C@H]1CCNC[C@@H]1F 73144 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.5 C[C@H]1CNCC[C@@H]1O P21141 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.5 C[C@H]1COCC[C@@H]1N 38673 [1,0,0,1,0,0|1,1,0]=4 39 B8R1.5 C[C@H]1COCC[C@@H]1N P17478 [1,0,0,1,0,0|1,1,0]=4 40 B8R1.5 C[C@H]1NCCC[C@@H]1O D96985 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.5 C[C@H]1NCCC[C@@H]1O D96986 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20115 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.5 N[C@@H]1CCCC[C@@H]1F P20239 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.8 CCC[C@H]1CCCN1 D85246 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.8 NCC[C@H]1CCOC1 D96809 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.10 OCCCC1CNC1 D96736 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.11 CC1CCCC1CO 72730 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.11 CO[C@H]1CCC[C@H]1N P19444 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.11 C[C@H]1CNC[C@@H]1CO P18720 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.11 NC[C@H]1CCC[C@@H]1F 73033 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.12 OC[C@H]1CC[C@@H]1CO AT20082 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.13 COC[C@@H]1CC[C@@H]1N P20527 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.13 COC[C@@H]1CC[C@@H]1N P20692 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.13 COC[C@H]1CC[C@@H]1N P19812 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.13 COC[C@H]1CC[C@@H]1N P20526 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.22 C[C@H]1CCOCCN1 C90344 [1,0,0,1,0,0|1,1,0]=4 59 B8R1.22 F[C@H]1CCCCNC1 72929 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.22 F[C@H]1CCCNCC1 72243 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.22 N[C@H]1CCCCNC1 32198 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.22 N[C@H]1CCCOCC1 33401 [1,0,0,1,0,0|1,1,0]=4 63 B10R1.18 C[C@H](N)CC1CCCCC1 C75565 [0,1,0,1,0,0|1,0,0]=3 64 B10R1.18 C[C@H](O)CC1CCNCC1 D79799 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.300 CC1CNCCCC1(C)O 73166 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.1 N[C@H]1CC[C@H](CCO)CC1 P16378 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.15 COC(=O)[C@@H]1CCCCS1 D96792 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.15 N[C@@H](CO)C1CCCCC1 Y14570 [0,1,0,1,0,0|2,0,0]=4 69 B10R2.31 CN1CC[C@H]2CN[C@H]2C1 P13099 [0,0,0,2,0,0|2,0,0]=4 70 B10R2.1 N[C@H]1CC12CCCCC2 D84852 [0,0,0,2,0,0|2,0,0]=4 71 B10R2.6 C1CC[C@@H](C2CC2)NC1 C73625 [0,0,0,2,0,0|1,0,0]=3 72 B10R2.6 C1CN[C@H](C2CC2)CN1 AT10268 [0,0,0,2,0,0|2,0,0]=4 73 B10R2.6 C1COC[C@@H](C2CC2)N1 O10219 [0,0,0,2,0,0|2,0,0]=4 74 B10R2.7 C1CNC2COCC2C1 P20517 [0,0,0,2,0,0|1,1,0]=4 75 B10R2.62 CN1CC2CCC1CN2 P13866 [0,0,0,2,0,0|2,0,0]=4 76 B10R2.320 CN1C[C@@H]2CCNC[C@@H]21 60097 [0,0,0,2,0,0|2,0,0]=4 77 B10R2.484 C1CC2(C1)COCCN2 39214 [0,0,0,2,0,0|2,0,0]=4 78 B10R2.484 C1CCC2(CC1)CCN2 P10691 [0,0,0,2,0,0|2,0,0]=4 79 B10R2.484 C1CCC2(CC1)CCN2 W13908 [0,0,0,2,0,0|2,0,0]=4 80 B10R2.484 C1CCC2(CCC2)NC1 37701 [0,0,0,2,0,0|1,0,0]=3 81 B10R2.484 C1CCC2(CNC2)OC1 W13910 [0,0,0,2,0,0|1,1,0]=4 82 B10R2.484 C1CCC2(COC2)NC1 32923 [0,0,0,2,0,0|2,0,0]=4 83 B10R2.484 C1CCC2(COC2)NC1 38555 [0,0,0,2,0,0|2,0,0]=4 84 B10R2.484 C1CCC2(COC2)NC1 S11037 [0,0,0,2,0,0|2,0,0]=4 85 B10R2.32 C[C@H]1CO[C@H]2CNC[C@@H]12 W14458 [0,0,0,2,0,0|2,0,0]=4 86 B10R2.483 C1CCC2(C1)CCCN2 W13914 [0,0,0,2,0,0|2,0,0]=4 87 B10R2.15 CN1CCNCC12CC2 C91675 [0,0,0,2,0,0|2,0,0]=4 88 B10R2.41 CN1C2CCC1CNC2 P11655 [0,0,0,2,0,0|2,0,0]=4