0 B7R0.1 C#CCCCCC#N BB31-6051 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.1 CCCNCCOC BB31-6246 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 N#CCCCCCN BB31-4731 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 N#CCCNCCO BB31-8013 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C#CCCCCN BB31-0286 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.6 CNCCCCCl BB31-7841 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.6 N#CCCCCN BB32-3572 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.6 NCCNCCN BB31-4178 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.6 OCCNCCCl BB31-4678 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.6 OCCOCCI BB31-1660 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.4 CCCCOCCOC BB31-4759 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.4 COCCOCCCBr BB31-5717 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.4 ClCCCCCCCBr BB31-5515 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.7 CC(C)CCCCCO BB31-3290 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.7 CCCCCC[C@H](C)N BB31-5438 [0,1,0,0,0,0|0,0,2]=3 15 B8R1.2 BrCC1CCCNC1 BB32-0264 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.2 C#CC1CCCNC1 BB31-7363 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.2 CCC1CCCNC1 BB31-8098 [0,0,0,1,0,0|1,0,1]=3 18 B8R1.2 CC[C@@H]1COCCN1 BB31-8706 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.2 CC[C@@H]1COCCN1 BB32-1053 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.2 CNC1CCOCC1 BB31-5860 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.2 CO[C@H]1CCCNC1 BB31-5248 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.2 CSC1CCNCC1 BB31-4110 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.2 ClCC1CCNCC1 BB31-3587 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.2 ICC1CCCCO1 BB32-2266 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.2 N#C[C@@H]1CCCNC1 BB31-8899 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.2 NNC1CCNCC1 BB32-1669 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.2 O=CC1CCCCO1 BB32-0336 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.2 O=CC1CCNCC1 BB31-0713 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.2 ONC1CCCCC1 BB31-6264 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.5 CC1COCCC1=O BB31-0779 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.5 CN1CCOCC1=O BB31-4094 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.5 C[C@@H]1CNCCN1C BB31-0645 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.5 C[C@@H]1CNCCN1C BB32-3303 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.5 C[C@H]1CNCCN1C BB32-2670 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.5 NC1CCCCC1=O BB31-7416 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.5 NC1CCCNC1=O BB52-8540 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.5 O=C1CCOCC1Br BB31-5776 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.5 O=C1CCOCC1F BB32-3113 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.5 O=C1NCCCC1Br BB32-1567 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.8 CCCC1=NNC=C1 BB31-7142 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.8 CCNC1CCOC1 BB31-1875 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.8 OCCC1CCNC1 BB32-3680 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.8 OCCN1CCCC1 BB53-1084 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.12 OC[C@H]1CC[C@H]1CO BB32-2861 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.22 CC1CCCCCN1 BB32-1446 [0,0,0,1,0,0|1,0,1]=3 46 B8R1.22 NC1=NCCCCC1 BB52-7687 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.22 N[C@@H]1CCCCNC1 BB31-1104 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.22 O=C1CCCCNC1 BB32-3316 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.22 O=C1CCCOCC1 BB32-3102 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.22 O=C1CNCCCN1 BB31-5486 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.22 O=C1CNCCCN1 BB31-6324 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.22 OC1CCCNCC1 BB31-0709 [0,0,0,1,0,0|2,0,1]=4 53 B5R0.2 C=CCCCI BB31-6966 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.2 C=CCCCN BB31-4446 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.2 CCSCCN BB31-5588 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.2 OCCCCI BB32-2029 [2,0,0,0,0,0|2,0,0]=4 57 B7R0.4 NC(=O)CCCCO BB31-4574 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.4 CCCCC(C)CC(=O)O BB32-2471 [0,2,0,0,0,0|1,0,0]=3 59 B9R0.4 CCCCC(O)CC(=O)O BB31-3463 [0,2,0,0,0,0|1,0,0]=3 60 B9R0.4 CSCC[C@H](N)CC(=O)O BB31-6882 [0,2,0,0,0,0|2,0,0]=4 61 B9R0.4 CSCC[C@H](N)CC(=O)O BB32-1606 [0,2,0,0,0,0|2,0,0]=4 62 B9R0.18 CCCCC(N)CCCC BB31-5984 [0,2,0,0,0,0|0,0,2]=4 63 B9R0.2 C#CCCCCCC(=O)O BB31-8482 [0,2,0,0,0,0|1,0,1]=4 64 B9R0.45 C=CCOCCOCCO BB31-2926 [0,2,0,0,0,0|1,0,0]=3 65 B9R0.1 C=C(C)CCCC(=O)OC BB32-1876 [0,2,0,0,0,0|1,0,1]=4 66 B9R0.47 C=CCCC[C@@H](N)C(=O)O BB31-8480 [0,2,0,0,0,0|1,0,1]=4 67 B7R1.1 BrCC1=CCCC1 BB32-3867 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [1,0,0,1,0,0|1,0,0]=3 69 B7R1.1 FC[C@@H]1CCCN1 BB31-6796 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.1 FC[C@@H]1CCNC1 BB31-2793 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.1 OCC1CCNC1 BB52-8382 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 CC1=CCNCC1 BB31-4858 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.3 C[C@H]1CNCCO1 BB31-0582 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.3 IC1CCNCC1 BB32-0018 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.3 S=C1CCCCN1 BB31-1665 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.3 SC1CCCNC1 BB31-1279 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.4 Br[C@@H]1CCC[C@H]1Br BB31-0304 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.4 N[C@H]1CCC[C@H]1N BB31-4642 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.6 C=CCC1CNC1 BB31-3197 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.6 OCCC1COC1 BB31-4347 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.6 OCCN1CCC1 BB31-7265 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.7 OCCNC1CC1 BB32-1964 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.9 OC[C@H]1C[C@H]1CO BB31-4235 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.2 CCC1CCCC(=O)C1 BB31-8126 [0,1,0,1,0,0|0,0,1]=3 91 B9R1.2 COC1=CC(=O)CCC1 BB31-3355 [0,1,0,1,0,0|1,0,1]=4 92 B9R1.2 O=C1CCC[C@@H](CO)N1 BB31-1849 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.7 CCCC1COC(=O)O1 BB31-8496 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.8 BrCCC1CCOCC1 BB31-5058 [0,1,0,1,0,0|1,0,1]=4 95 B9R1.8 BrCCN1CCCCC1 BB31-5212 [0,1,0,1,0,0|1,0,1]=4 96 B9R1.8 C=CCN1CCCCC1 BB31-2798 [0,1,0,1,0,0|0,0,0]=2 97 B9R1.8 CCOC1CCCNC1 BB31-0717 [0,1,0,1,0,0|1,0,1]=4 98 B9R1.8 N#CC=C1CCCCC1 BB32-2860 [0,1,0,1,0,0|0,0,2]=4 99 B9R1.8 NCCC1CCCCC1 BB31-6120 [0,1,0,1,0,0|0,0,2]=4 100 B9R1.8 NCCC1CCOCC1 BB31-5827 [0,1,0,1,0,0|1,0,1]=4 101 B9R1.8 NNCC1CCOCC1 BB31-1890 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.8 O=CCC1CCOCC1 BB31-4719 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.12 CNCCN1CCCC1 BB52-8034 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.12 NCCOC1CCCC1 BB31-5585 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.12 OCCCN1CCCC1 BB52-8038 [0,1,0,1,0,0|1,0,1]=4 106 B9R1.15 CCN1CCNCC1=O BB52-8136 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.15 CN[C@@H]1CCCC[C@H]1O BB31-4371 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.15 COC1CCCCC1N BB32-2888 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.15 O=CC1=C(Br)CCCC1 BB32-2004 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.15 O=CC1=C(Cl)CCCC1 BB31-8272 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.33 NCCN1CCCC1=O BB52-8355 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.69 CN1CCC(N)CC1=O BB31-2065 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.89 COC1CCCNCC1 BB31-2531 [0,1,0,1,0,0|1,0,1]=4 114 B9R1.1 CNC1CCC(N)CC1 BB32-2136 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 BB32-3392 [0,1,0,1,0,0|1,0,1]=4 116 B9R1.1 CO[C@H]1CC[C@H](O)CC1 BB32-1070 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.1 N#C[C@H]1CC[C@@H](N)CC1 BB31-9787 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 BB31-0982 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.1 NC[C@H]1CC[C@H](O)CC1 BB31-0289 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 BB32-3486 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.1 O=CC1CCC(=O)CC1 BB31-5251 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.11 NC(CO)C1CCCC1 BB32-0727 [0,1,0,1,0,0|1,0,1]=4 123 B9R1.118 NC1(CO)CCCCC1 BB32-2688 [0,1,0,1,0,0|1,0,1]=4 124 B9R1.6 NC(=O)C1CCNCC1 BB32-1882 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.13 NC(=S)NC1CCCC1 BB31-8483 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.13 O=C(O)CC1CCNC1 BB31-4791 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-4906 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-5437 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.13 O=C(O)C[C@@H]1CCOC1 BB31-2581 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.40 CC1(C)CCCNC1=O BB32-1436 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.40 CC1(C)CNCCC1=O BB31-5743 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [0,1,0,1,0,0|1,0,0]=3 133 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O BB31-3041 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O BB32-3070 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O BB32-0417 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.85 O=C(O)COCC1CC1 BB32-1443 [0,1,0,1,0,0|2,0,0]=4 137 B9R2.49 C1CC2CCC1CN2 BB32-3450 [0,0,0,2,0,0|1,0,1]=4 138 B9R2.68 C1CC2CCC(C1)N2 BB31-4852 [0,0,0,2,0,0|1,0,1]=4 139 B9R2.39 O=C1NC2CCC1C2 BB31-4286 [0,0,0,2,0,0|2,0,0]=4 140 B9R2.2 C1CC(C2CC2)CN1 BB31-1108 [0,0,0,2,0,0|1,0,1]=4 141 B9R2.5 O=C1CCCC12CC2 BB32-3556 [0,0,0,2,0,0|1,0,0]=3