0 B8R0.8 CC(=O)N(C)CCC#N BB54-0148 [1,0,0,0,0,0|2,0,1]=4 1 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [1,0,0,0,0,0|1,0,0]=2 2 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [1,0,0,0,0,0|2,0,0]=3 3 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.15 CCCC(CN)N(C)C BB12-3578 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.15 CCCC(NC)C(=O)O BB57-2495 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.13 CC(=O)N1CCC(O)CC1 BB12-3386 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.13 CN1CCC(C(=O)Cl)CC1 BB58-1946 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.13 CN1CCC(C(=O)O)CC1 BB12-2769 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.13 CN1CCC(C(=O)O)CC1 BB56-1999 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.13 CN1CCC(C(N)=O)CC1 BB55-7972 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.19 O=C1CCCCCN1CO BB54-0228 [0,0,0,1,0,0|1,0,0]=2 12 B10R1.61 CC(=O)C1=C(N)CCCC1 BB58-2024 [0,0,0,1,0,0|1,0,2]=4 13 B10R1.61 CN1CCCCC1C(=O)O BB54-3898 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.61 NC(=O)C1CCCCC1=O BB12-2086 [0,0,0,1,0,0|1,0,2]=4 15 B10R1.61 NC(=O)C1CCCCC1N BB55-6549 [0,0,0,1,0,0|2,0,0]=3 16 B10R1.61 NC1CCCCC1C(=O)O BB57-4267 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.61 OC(=O)[C@@H]1CCCC[C@H]1N BB01-8381 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.348 O=C(O)C1CCCCCN1 BB58-3124 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.477 CCC1(C(=O)O)CCCN1 BB57-1759 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.477 CN(C)C1(CN)CCCC1 BB12-3593 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.477 NCC1(C(=O)O)CCCC1 BB31-9448 [0,0,0,1,0,0|2,0,0]=3 22 B7R0.3 CCCCC(N)CO BB56-2048 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.3 CCCOC(C)CN BB55-6921 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.3 CCNCC(O)CC BB57-7065 [2,0,0,0,0,0|1,0,1]=4 25 B7R0.3 CSCCC(N)CO BB56-2047 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.4 CC(=O)NCCCN BB32-2735 [2,0,0,0,0,0|2,0,0]=4 27 B7R0.4 CC(=O)NCCCO BB12-3384 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.4 CCCNCC(=O)O BB20-0186 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.4 CCCOCC(=O)O BB55-7872 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.4 CCCSCC(=O)O BB12-3263 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.4 CCOCCC(=O)Cl BB58-1931 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.4 CCSCCC(=O)O BB12-3270 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.5 CC(=O)N(C)CCO BB55-7164 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.5 CCSC(C)C(=O)O BB12-3261 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.5 CNCC(C)C(=O)O BB12-1637 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.15 CCC(CN)C(=O)O BB58-3841 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.15 CCC(CO)N(C)C BB12-3597 [2,0,0,0,0,0|2,0,0]=4 38 B9R0.6 CCOC(=O)C(C)C(C)=O BB01-7319 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.8 COC(=O)C(N)CCCN BB57-6639 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.42 CCN(C)CC(C)C(=O)O BB12-1433 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.6 NC(=O)C1CCCCN1 BB57-5817 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.6 NC(=O)C1CCCOC1 BB12-2057 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.6 NC(=O)C1CCOCC1 BB55-7979 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.6 NC(=O)C1CNCCO1 BB58-4215 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.6 NC(=O)[C@@H]1CCCNC1 BB31-2173 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.6 NC(=S)C1CCCCC1 BB57-4606 [1,0,0,1,0,0|1,1,0]=4 47 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [1,0,0,1,0,0|1,0,0]=3 48 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.6 O=C(O)C1CCCOC1 BB54-3665 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.6 O=C(O)C1COCCO1 BB58-3665 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.35 CC(=O)N1CCC(O)C1 BB58-2199 [1,0,0,1,0,0|2,0,0]=4 53 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [1,0,0,1,0,0|2,0,0]=4 54 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [1,0,0,1,0,0|1,0,0]=3 55 B9R1.95 COC1CC(C(=O)O)C1 BB58-3428 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.163 CC1(C(=O)O)CCCO1 BB12-1777 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.163 CC1(C(=O)O)CCOC1 BB31-0673 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.163 NC1(C(=O)O)CCCC1 BB56-0255 [1,0,0,1,0,0|2,0,0]=4 59 B9R1.1 CC1=CCC(C=O)CC1 BB17-2241 [1,0,0,1,0,0|1,0,1]=4 60 B9R1.1 CN1CCC(CO)CC1 BB05-4226 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.1 CN1CCC(CO)CC1 BB12-1540 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.12 CCCCC1CCCN1 BB56-0702 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.12 CCCCC1CCNC1 BB56-1976 [1,0,0,1,0,0|1,0,1]=4 64 B9R1.12 NCCCC1CCOC1 BB54-1028 [1,0,0,1,0,0|1,0,1]=4 65 B9R1.15 CN1CCCCC1CBr BB12-3106 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.15 CN1CCCCC1CCl BB55-5164 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.15 CN1CCCCC1CN BB53-1653 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.15 CN[C@@H]1CCCC[C@H]1O BB58-0623 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.15 O=CC1CCCCC1=O BB12-3722 [1,0,0,1,0,0|0,0,2]=4 70 B9R1.204 CCC1(CO)CCNC1 BB58-3930 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.204 N#CC1(CO)CCCC1 BB57-1797 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.119 NC(=O)C1(CO)CCC1 BB57-1800 [1,0,0,1,0,0|1,0,0]=3 73 B11R1.20 CC1CCC(CC(=O)O)CC1 BB58-4368 [0,0,0,1,0,1|2,0,0]=4 74 B11R1.43 CC(=O)N[C@@H]1CN[C@H](CO)C1 BB20-0300 [0,0,0,1,0,1|2,0,0]=4 75 B11R1.43 CC(=O)N[C@@H]1CN[C@H](CO)C1 BB20-0302 [0,0,0,1,0,1|2,0,0]=4 76 B11R1.266 CC(=O)N1CCOC(CN)C1 BB12-2716 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.497 CC(=O)N1CCNCC(O)C1 BB57-4124 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.727 CC1(C)CCC(C(=O)O)CO1 BB58-3826 [0,1,0,1,0,0|1,0,0]=3 79 B11R1.727 CC1(C)CNC(C(=O)O)CO1 BB31-1163 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.727 CC1(C)COC(C(=O)O)CO1 BB58-4343 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.222 COC(=O)C1CCCCC1N BB57-4268 [0,1,0,1,0,0|1,0,0]=3 82 B11R1.3 CC(=O)N1CCC(CCl)CC1 BB58-5161 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.3 CC(=O)N1CCC(CN)CC1 BB32-0776 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.3 CC(=O)N1CCC(CO)CC1 BB53-1384 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.3 CCN1CCC(C(N)=O)CC1 BB12-3001 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.3 O=C(O)C1CCC(CO)CC1 BB57-7148 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.298 CCC(C(=O)O)N1CCCC1 BB57-1163 [0,1,0,1,0,0|2,0,0]=4 88 B11R1.1074 CCC1(C(=O)O)CCCNC1 BB57-1733 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.1074 CCC1(C(=O)O)CCNCC1 BB57-1767 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.1074 CCC1(C(N)=O)CCCNC1 BB93-0685 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.737 NC(=O)C1(N)CCCCCC1 BB55-7965 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.737 NC1(C(=O)O)CCCCCC1 BB55-6496 [0,1,0,1,0,0|2,0,0]=4 93 B11R2.1852 O=C(O)C1C2CCCCC21 BB56-0805 [0,0,0,2,0,0|2,0,0]=4