0 B7R0.10 CCC(N)C(=O)NO BB57-4144 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CC(CN)CCN BB12-1906 [1,0,0,0,0,0|2,0,0]=3 2 B6R0.1 CCCC(O)CN BB58-4054 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.1 CCC\C(N)=N\O BB10-0037 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.1 CCNC(C)CO BB12-1659 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.1 CCOC(C)CN BB57-2923 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.1 CC[C@H](N)COC BB20-3253 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 CNC(=O)CCO BB12-3660 [1,0,0,0,0,0|1,1,1]=4 8 B6R0.1 CNC(C)CCO BB05-4613 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CNC(C)CCO BB12-1373 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.1 CNCC(C)OC BB55-4648 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 COC(=O)CCO BB12-1300 [1,0,0,0,0,0|1,1,1]=4 12 B6R0.1 COC(C)CCN BB57-3649 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 COCC(C)C#N BB55-7988 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 COCC(O)CN BB55-6376 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.3 CC(C)C(N)CO BB01-7497 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.3 CC(C)C(O)C#N BB57-3716 [1,0,0,0,0,0|1,1,1]=4 17 B6R0.3 CC(C)C(O)CN BB58-1333 [1,0,0,0,0,0|1,1,0]=3 18 B6R0.3 CC(CN)N(C)C BB12-3256 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.3 CC(CO)[N+](=O)[O-] BB12-1675 [1,0,0,0,0,0|2,1,0]=4 20 B6R0.3 COC(=N)C(C)C BB12-3132 [1,0,0,0,0,0|2,0,1]=4 21 B8R0.3 CCN(C)C(C)CCN BB12-1353 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.3 CCOC(=O)C(C)CN BB31-4039 [0,1,0,0,0,0|1,1,1]=4 23 B8R0.20 CCC(CN)N(C)CC BB12-3576 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.5 CC1CCCNC1C BB57-6977 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.5 CC1CNCCC1=O BB58-3122 [0,0,0,1,0,0|1,1,1]=4 26 B8R1.5 C[C@H]1CNCC[C@@H]1O BB58-3128 [0,0,0,1,0,0|1,1,0]=3 27 B8R1.5 O=C1CCOCC1O BB17-2979 [0,0,0,1,0,0|1,1,1]=4 28 B8R1.5 O[C@H]1CNCC[C@H]1O BB58-3057 [0,0,0,1,0,0|2,1,0]=4 29 B8R1.11 CCC1CCCC1=O BB12-2911 [0,0,0,1,0,0|1,1,1]=4 30 B8R1.11 CN1CCCC1CBr BB12-3093 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.11 CN1CCCC1CCl BB58-2152 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.11 CN1CCCC1CN BB55-6399 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.11 CN1CCCC1CO BB12-1660 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.11 CO[C@@H]1COC[C@H]1N BB58-2830 [0,0,0,1,0,0|3,0,0]=4 35 B8R0.19 CCN(C)CC(C)CN BB12-1352 [0,0,0,0,0,1|3,0,0]=4 36 B5R0.1 CC(N)CCO BB57-1076 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.1 CC(O)CNN BB58-3435 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.1 CNCC(C)O BB12-1288 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.2 CCC#CCO BB58-4730 [2,0,0,0,0,0|0,0,2]=4 40 B5R0.2 CCSCCN BB53-1545 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.2 CCSCCO BB54-1799 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.2 N#CCCCO BB58-5314 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.2 NNCCCO BB58-0747 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.2 OCCCCCl BB54-0721 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.2 [C-]#[N+]CCCC BB56-0718 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.3 CC(CN)CO BB57-2245 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.3 CCC(C)NC BB53-1672 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 CNC(C)CO BB12-1570 [2,0,0,0,0,0|1,0,0]=3 49 B5R0.3 COC(C)CN BB55-4647 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.2 CC(C)CC(O)CN BB58-4053 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.2 CC(CO)CN(C)C BB12-3644 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.3 CCCCC(N)CO BB56-2048 [1,1,0,0,0,0|1,0,0]=3 54 B7R0.3 CCCOC(C)CN BB55-6921 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.3 CCN(C)CCCN BB12-1555 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.3 CCN(C)CCCO BB12-3254 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.3 CCNCC(O)CC BB57-7065 [1,1,0,0,0,0|1,1,0]=4 58 B7R0.3 CSCCC(N)CO BB56-2047 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.5 CC(CCO)N(C)C BB12-3646 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.7 CCCC(N)CCC BB54-4015 [1,1,0,0,0,0|2,0,0]=4 63 B7R0.7 CCNC(C)CCO BB12-1398 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.7 CCOC(=O)CCO BB12-1446 [1,1,0,0,0,0|0,1,1]=4 65 B7R0.7 CN(CCN)CCO BB58-1912 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.7 CNCC(O)COC BB17-0811 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.7 O=S(CCO)CCO BB54-0247 [1,1,0,0,0,0|1,1,0]=4 68 B7R0.11 C#CC(C)(O)CCC BB54-1632 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.11 CCCC(C)(O)C#N BB58-5222 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.11 CCCC(C)(O)CN BB58-5219 [1,1,0,0,0,0|1,0,0]=3 71 B7R0.11 CCS(=O)(=O)CCO BB53-1534 [1,1,0,0,0,0|1,1,0]=4 72 B7R0.11 CNCC(C)(C)CO BB57-0988 [1,1,0,0,0,0|1,0,0]=3 73 B7R0.12 CCOC(CC)CBr BB12-3730 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.13 CN(C)C(C)(C)CO BB58-0203 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.14 CC(C)(C)C(O)CN BB58-4055 [1,1,0,0,0,0|1,1,0]=4 76 B7R0.14 CC(C)(O)C(O)CN BB58-0361 [1,1,0,0,0,0|1,1,0]=4 77 B7R0.15 CCC(CC)N(C)C BB12-3678 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.15 CCC(CN)N(C)C BB12-3590 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.15 CCC(CO)N(C)C BB12-3597 [1,1,0,0,0,0|1,1,0]=4 80 B7R0.16 CC(C)C(N)C(C)C BB58-0206 [1,1,0,0,0,0|1,0,0]=3 81 B7R1.1 CCC1CCCN1 BB55-8085 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.1 CNC1CCCC1 BB53-1678 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.1 ClCC1CCCN1 BB54-3837 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.1 NCC1CCCO1 BB12-1343 [1,0,0,1,0,0|2,0,0]=4 85 B7R1.3 BrC1CCCOC1 BB55-3590 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.3 BrC1CCSCC1 BB57-4184 [1,0,0,1,0,0|1,1,0]=4 87 B7R1.3 CC1CCOCC1 BB32-2892 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.3 CC1CNCCO1 BB57-2444 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.3 NC1CCCOC1 BB12-2177 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.3 NC1CCNCC1 BB58-0821 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.3 NC1CCOCC1 BB54-3533 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.3 OC1CCOCC1 BB12-1171 [1,0,0,1,0,0|0,1,0]=3 93 B7R1.3 OC1CCSCC1 BB53-1540 [1,0,0,1,0,0|0,2,0]=4 94 B7R1.4 N[C@@H]1CSC[C@H]1O BB54-3348 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.6 CNCC1CCC1 BB12-1623 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.6 OCCC1CCC1 BB31-5201 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.22 CCC(N)C1CC1 BB57-2148 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.22 N[C@H](CO)C1CC1 BB32-0741 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.22 OC(CBr)C1CC1 BB58-0634 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.25 CC1(CO)CSC1 BB57-4080 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.19 CC(C)C1(N)CC1 BB58-3777 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.23 CC1(C)CC1CO BB31-7326 [1,0,0,1,0,0|1,0,0]=3 103 B9R1.2 CN1CCCC(CO)C1 BB12-1539 [0,0,0,1,0,1|2,0,0]=4 104 B9R1.11 CCC(C)C1CCCN1 BB56-0692 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.15 CN[C@@H]1CCCC[C@H]1O BB58-0623 [0,1,0,1,0,0|1,1,0]=4 106 B9R1.24 CC1(C)OCCC1CO BB58-3834 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.14 CCN1CCCC1CO BB12-1536 [0,1,0,1,0,0|2,0,0]=4