0 B7R0.1 CCCNNCCC D79943 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.1 NCCCNCCS W12622 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.1 NCCSSCCO C70186 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.6 COCOCCN AC9200 [1,0,0,0,0,0|2,1,0]=4 4 B6R0.6 Cl[13CH2][13CH2]N[13CH2][13CH2]Cl AT23538 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.6 NCCOCCS AT12749 [1,0,0,0,0,0|2,1,0]=4 6 B8R0.1 CCCC[C@H](N)CCO AT14318 [0,1,0,0,0,0|3,0,0]=4 7 B8R1.2 CC[C@H]1CCCCN1 I11451 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.2 CC[C@H]1CNCCN1 77623 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.2 FC[C@H]1CCCCN1 P14250 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.2 NC[C@H]1CCCOC1 P12202 [0,0,0,1,0,0|2,1,0]=4 11 B8R1.2 NC[C@H]1CCCOC1 P12792 [0,0,0,1,0,0|2,1,0]=4 12 B8R1.2 OC[C@H]1CSCCN1 AT25274 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.5 CC1CSCCC1N 70873 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.5 C[C@@H]1CCCC[C@@H]1N FD10501 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.5 C[C@@H]1CCNC[C@@H]1F AT23522 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.5 C[C@@H]1CCNC[C@@H]1O P13523 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.5 C[C@@H]1COCC[C@@H]1N CS2010 [0,0,0,1,0,0|2,1,0]=4 18 B8R1.5 C[C@@H]1COCC[C@@H]1N D75982 [0,0,0,1,0,0|2,1,0]=4 19 B8R1.5 C[C@H]1COCC[C@@H]1N P13195 [0,0,0,1,0,0|2,1,0]=4 20 B8R1.8 BrCC[C@H]1CCCN1 C77427 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.8 NCC[C@H]1CCCO1 AT11472 [0,0,0,1,0,0|2,1,0]=4 22 B8R1.10 OCCCC1CCC1 F52481 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.10 OCCOC1CCC1 92926 [0,0,0,1,0,0|2,1,0]=4 24 B8R1.22 C[C@H]1CCNCCN1 91998 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.22 C[C@H]1CCNCCN1 91999 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.22 C[C@H]1CCOCCN1 33399 [0,0,0,1,0,0|2,1,0]=4 27 B8R1.22 C[C@H]1CNCCCN1 D76103 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.22 C[C@H]1COCCCN1 AT11439 [0,0,0,1,0,0|2,1,0]=4 29 B8R1.22 C[C@H]1COCCCN1 AT11440 [0,0,0,1,0,0|2,1,0]=4 30 B8R1.22 F[C@H]1CCCCNC1 72488 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.22 F[C@H]1CCCCNC1 AT25232 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.22 F[C@H]1CCCCNC1 AT25234 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.22 O[C@H]1CCCCNC1 AT25228 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.22 O[C@H]1CCCCNC1 AT25231 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.22 O[C@H]1CCCNCC1 AT25235 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.22 O[C@H]1CCCNCC1 AT25242 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.22 SC1CCCCCC1 D76599 [0,0,0,1,0,0|3,0,0]=4 38 B5R0.2 CCNCCS AT25561 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.2 CNCCCF AT22549 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.2 CSSCCN AT25568 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.2 NCCCCF D75976 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.2 NCCCCS AT25915 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.7 CCC[C@H](O)COC D77523 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.2 NCCSSCCC(=O)O C70411 [0,2,0,0,0,0|1,0,1]=4 45 B9R0.45 NCCCSSCCCN AT13115 [0,2,0,0,0,0|0,0,0]=2 46 B9R0.45 [N-]=[N+]=NCCSSCCN C70187 [0,2,0,0,0,0|2,0,0]=4 47 B9R0.45 [N-]=[N+]=NCCSSCCO C70188 [0,2,0,0,0,0|2,0,0]=4 48 B7R1.1 CC[C@H]1CCCN1 RB4030 [1,0,0,1,0,0|1,0,0]=3 49 B7R1.1 FC[C@H]1CCCN1 P12557 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.3 C[C@H]1CNCCS1 AT10752 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.3 C[C@H]1CSCCN1 AT10757 [1,0,0,1,0,0|1,0,0]=3 52 B7R1.4 CC1CNCC1N AT23640 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [1,0,0,1,0,0|1,1,0]=4 54 B7R1.4 C[C@H]1CNC[C@@H]1N AT23637 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.4 C[C@H]1CNC[C@@H]1N AT23638 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.4 C[C@H]1CNC[C@@H]1N AT23639 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [1,0,0,1,0,0|1,1,0]=4 59 B7R1.4 N[C@@H]1CSC[C@@H]1O D72825 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.4 N[C@H]1CSC[C@@H]1O D72826 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.7 OCCOC1CC1 AT11518 [1,0,0,1,0,0|1,1,0]=4 62 B9R1.2 CCC1COCC(C)N1 F18880 [0,1,0,1,0,0|1,1,0]=4 63 B9R1.2 CC[C@H]1COC[C@H](C)N1 F19142 [0,1,0,1,0,0|1,1,0]=4 64 B9R1.12 COCC[C@H]1CCCN1 37988 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.48 C[C@H]1CNCC[C@@H](C)O1 E72987 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.134 CCC[N+]1(C)CCCC1 Y14707 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.5 CC1CCNCCC1O 73005 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.14 CC[C@H]1CNC[C@@H]1CO P17771 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.1 CC[C@H]1CC[C@@H](N)CC1 AT14261 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.3 CC1CSCC(C)C1N AC8595 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.6 C[C@H](N)C1CCCCO1 79890 [0,1,0,1,0,0|1,1,0]=4 72 B9R1.6 C[C@H](N)C1CCCCO1 79892 [0,1,0,1,0,0|1,1,0]=4 73 B9R1.6 C[C@H](N)C1CCCCO1 79893 [0,1,0,1,0,0|1,1,0]=4 74 B9R1.6 C[C@H](O)C1CCCCC1 AT26083 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.13 C[C@H](O)CN1CCCC1 AT24867 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.40 C[C@@H]1CCNC[C@]1(C)O 73177 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.40 C[C@H]1CCNC[C@]1(C)O 73178 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.148 CC1(C)CCCCNC1 AT20042 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.148 C[C@]1(F)CCCCNC1 73124 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.148 C[C@]1(N)CCCCNC1 AT24711 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.148 C[C@]1(N)CCCNCC1 AT24712 [0,1,0,1,0,0|2,0,0]=4 82 B9R2.49 C1CC2CCC1NO2 E73124 [0,0,0,2,0,0|1,1,0]=4 83 B9R2.50 C1CNC2CCC2C1 D72868 [0,0,0,2,0,0|2,0,0]=4 84 B9R2.50 C1CN[C@H]2CC[C@H]2C1 AT11646 [0,0,0,2,0,0|2,0,0]=4 85 B9R2.50 C1C[C@H]2CC[C@H]2CN1 AT11750 [0,0,0,2,0,0|2,0,0]=4 86 B9R2.68 C1CC2CNCC1C2 AC8006 [0,0,0,2,0,0|2,0,0]=4 87 B9R2.68 C1CC2CSCC1N2 D72940 [0,0,0,2,0,0|2,0,0]=4 88 B9R2.174 C1CNCC2(C1)CC2 P11720 [0,0,0,2,0,0|2,0,0]=4 89 B9R2.6 CC12CCNCC1C2 P12998 [0,0,0,2,0,0|2,0,0]=4 90 B9R2.3 C1C[C@H]2CCN[C@H]2C1 E73393 [0,0,0,2,0,0|2,0,0]=4 91 B9R2.3 C1C[C@H]2CNC[C@@H]2C1 D76047 [0,0,0,2,0,0|2,0,0]=4 92 B9R2.173 C1CNC2(C1)CCC2 E73324 [0,0,0,2,0,0|2,0,0]=4 93 B9R2.173 C1CNC2(C1)CCC2 P11719 [0,0,0,2,0,0|2,0,0]=4