0 B7R0.7 CCOC(=O)\C=C\I BB32-1414 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C#CCC(=O)OC BB32-1580 [1,0,0,0,0,0|1,0,2]=4 2 B6R0.1 CCCC(=O)CCl BB31-4027 [1,0,0,0,0,0|1,0,0]=2 3 B6R0.1 NNC(=O)CCO BB31-4269 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.6 CNCCCCCl BB31-7841 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.6 NCCNCCN BB31-4178 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.6 OCCNCCCl BB31-4678 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.6 OCCOCCI BB31-1660 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.1 C#CCCC(=O)CCO BB31-2828 [0,1,0,0,0,0|1,0,1]=3 9 B8R0.1 COCCN(C)CCO BB32-1044 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.3 CCOC(=O)[C@@H](C)OC BB31-7778 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [0,1,0,0,0,0|1,0,2]=4 12 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,0,0,1,0,0|1,0,0]=2 13 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,0,0,1,0,0|1,0,0]=2 15 B8R1.4 CN1CCC[C@H](N)C1 BB31-0661 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.4 C[C@@H]1CN(C)CCN1 BB31-0644 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.4 C[C@@H]1CN(C)CCN1 BB31-9150 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.4 C[C@@H]1CNC[C@H](C)C1 BB31-2797 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,0,0,1,0,0|1,0,0]=2 21 B8R1.4 C[C@H]1CN(C)CCN1 BB31-0643 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.4 N[C@H]1CCC[C@H](O)C1 BB31-1055 [0,0,0,1,0,0|1,0,2]=4 23 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,0,0,1,0,0|1,0,0]=2 24 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.4 O[C@H]1CCC[C@@H](O)C1 BB31-4741 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.8 OCCN1CCCC1 BB53-1084 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.11 O=C1CCC=C1CO BB31-7246 [0,0,0,1,0,0|1,0,2]=4 28 B8R1.22 CC1CCCCCN1 BB32-1446 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.22 NC1=NCCCCC1 BB52-7687 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.22 N[C@@H]1CCCCNC1 BB31-1104 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.22 O=C1CCCCNC1 BB32-3316 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.22 O=C1CCCOCC1 BB32-3102 [0,0,0,1,0,0|1,0,0]=2 33 B8R1.22 O=C1CNCCCN1 BB31-5486 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.22 O=C1CNCCCN1 BB31-6324 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.22 OC1CCCNCC1 BB31-0709 [0,0,0,1,0,0|1,0,2]=4 36 B5R0.1 CC(=O)CCBr BB31-4479 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.1 COCC(N)=O BB31-3207 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 O=C(O)CCF BB32-2513 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.2 CCSCCN BB31-5588 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.2 OCCCCI BB32-2029 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.3 CCC(=O)CN BB31-8248 [2,0,0,0,0,0|1,0,0]=3 42 B7R0.10 COC(=O)C(C)CN BB31-6417 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.10 COC(=O)[C@@H](C)CBr BB31-6195 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.1 CCCNCCOC BB31-6246 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.18 CCCCC(N)CCCC BB31-5984 [0,2,0,0,0,0|1,0,1]=4 46 B9R0.48 CC(C)CNC(=O)CCN BB32-0238 [0,2,0,0,0,0|1,0,0]=3 47 B9R0.48 CCOC(=O)OCC(C)C BB31-5205 [0,2,0,0,0,0|1,0,0]=3 48 B9R0.19 CCOC(=O)C(F)(F)CN BB31-1559 [0,2,0,0,0,0|2,0,0]=4 49 B9R0.23 COC(=O)C(=O)CC(C)C BB31-6224 [0,2,0,0,0,0|1,0,1]=4 50 B9R0.44 CC(C)(C)NC(=O)CCN BB31-4147 [0,2,0,0,0,0|2,0,0]=4 51 B9R0.44 CC(C)(C)OC(=O)CCO BB31-6301 [0,2,0,0,0,0|2,0,0]=4 52 B9R0.53 CC(Cl)OC(=O)OC(C)Cl BB31-6097 [0,2,0,0,0,0|2,0,0]=4 53 B7R1.1 BrCC1=CCCC1 BB32-3867 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [1,0,0,1,0,0|1,0,0]=3 56 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.2 O=C1CC(O)CO1 BB31-5337 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.2 O=C1CCC(O)C1 BB31-4994 [1,0,0,1,0,0|1,0,0]=3 60 B7R1.3 O=C1CNCCO1 BB32-2655 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.3 O=S1CCNCC1 BB32-3985 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.3 S=C1CCCCN1 BB31-1665 [1,0,0,1,0,0|1,1,0]=4 63 B7R1.4 NC1CCNC1=O BB31-0754 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.4 NC1CCOC1=O BB52-6516 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.22 CCC(N)C1CC1 BB31-5288 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.22 CCC(O)C1CC1 BB32-0693 [1,0,0,1,0,0|0,0,2]=4 67 B7R1.7 OCCNC1CC1 BB32-1964 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.2 CCC1CCCC(=O)C1 BB31-8126 [0,1,0,1,0,0|0,0,0]=2 69 B9R1.2 CN1CCCC(CN)C1 BB31-2577 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.2 CN1CCC[C@@H](CN)C1 BB32-0289 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.2 CN1CCC[C@H](CN)C1 BB31-2483 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.2 COC1=CC(=O)CCC1 BB31-3355 [0,1,0,1,0,0|0,0,2]=4 73 B9R1.2 NCC1CCNC(=O)C1 BB32-0239 [0,1,0,1,0,0|1,0,0]=3 74 B9R1.2 O=C1CC(CO)CCN1 BB32-2912 [0,1,0,1,0,0|1,0,0]=3 75 B9R1.2 O=C1CCC[C@@H](CO)N1 BB31-1849 [0,1,0,1,0,0|1,0,0]=3 76 B9R1.2 O=C1COCC(CO)N1 BB31-9072 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.12 CNCCN1CCCC1 BB52-8034 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.12 ClCCNC1=NCCC1 BB52-7672 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.12 OCCCN1CCCC1 BB52-8038 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.12 OCCNC1=NCCC1 BB52-7671 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.12 SCCNC1=NCCC1 BB52-7675 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.15 CCN1CCNCC1=O BB52-8136 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.15 COC1=CCCCC1=O BB32-1133 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.27 CCC1C(=O)NN=C1C BB52-6957 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.33 NCCN1CCCC1=O BB52-8355 [0,1,0,1,0,0|1,0,0]=3 86 B9R1.33 O=C1NCCN1CCCl BB31-8092 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.48 O=C1CCCNC(=O)C1 BB31-4559 [0,1,0,1,0,0|1,0,1]=4 88 B9R1.69 CN1CCC(=O)CC1=O BB31-0803 [0,1,0,1,0,0|1,0,1]=4 89 B9R1.69 CN1CCC(N)CC1=O BB31-2065 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.75 CCOC(=O)C=C1CC1 BB31-6895 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.74 CC1(C(=O)CC#N)CC1 BB31-6429 [0,1,0,1,0,0|1,0,1]=4 92 B9R2.39 O=C1NC2CCC1C2 BB31-4286 [0,0,0,2,0,0|1,0,0]=3 93 B9R2.68 C1CC2CCC(C1)N2 BB31-4852 [0,0,0,2,0,0|1,0,1]=4 94 B9R2.5 O=C1CCCC12CC2 BB32-3556 [0,0,0,2,0,0|0,0,0]=2