0 B9R1.35 C=C1CCC(C(=O)O)C1 BB58-5288 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 CC(=O)N1CCC(O)C1 BB58-2199 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC1=NC(C(=O)O)CC1 BB58-2824 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CC1=NOC(C(=O)O)C1 BB05-4673 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 CC1=NOC(C(=O)O)C1 BB55-3992 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 O=C1CC(C(=O)O)CN1 BB57-2160 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 O=C1CC(C(=O)O)CS1 BB01-0509 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.1 OCC1CC(O)CN1 BB54-3096 [1,0,0,0,0,0|0,0,1]=2 9 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 CC(C)C1CCCN1 BB56-0522 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.7 NC(=O)C1=NCCN1 BB54-1663 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.7 O=C(Cl)C1CCCO1 BB20-1591 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 O=C(O)[C@H]1C=CCN1 BB32-2958 [1,0,0,0,0,0|0,0,2]=3 15 B10R1.14 COC(=O)C1CC(O)CN1 BB54-0809 [0,1,0,0,0,0|0,0,0]=1 16 B10R1.14 COC(=O)C1CCN(C)C1 BB57-0753 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.359 CC1(C)CC(C(=O)O)CO1 BB58-3828 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.359 CC1(C)CCC(C(=O)O)O1 BB58-4799 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 BB54-4344 [0,1,0,0,0,0|2,0,1]=4 20 B10R1.470 CN1CCC(C)(C(=O)O)C1 BB58-0308 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.8 C=CCSC(C)C(=O)O BB12-3266 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [0,0,1,0,0,0|2,0,0]=3 24 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [0,0,1,0,0,0|1,0,2]=4 25 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [0,0,1,0,0,0|2,0,0]=3 26 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [0,0,1,0,0,0|3,0,0]=4 27 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [0,0,1,0,0,0|2,0,1]=4 28 B8R0.9 NCC(=O)CCC(=O)O BB57-4885 [0,0,1,0,0,0|0,0,2]=3 29 B8R0.15 CCCC(NC)C(=O)O BB57-2495 [0,0,1,0,0,0|1,0,0]=2 30 B8R0.23 CC(C)CC(N)C(N)=O BB57-6612 [0,0,1,0,0,0|2,0,0]=3 31 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.28 CC(C)CNCC(=O)O BB20-0181 [0,0,1,0,0,0|1,0,0]=2 33 B8R0.28 CN(C)CCCC(=O)O BB01-6266 [0,0,1,0,0,0|3,0,0]=4 34 B8R1.23 O=C(O)C1CC(O)C1 BB58-2196 [0,0,0,0,1,0|0,0,0]=1 35 B10R1.13 CC(=O)N1CCC(O)CC1 BB12-3386 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.13 CN1CCC(C(=O)O)CC1 BB12-2769 [0,0,0,0,0,1|3,0,0]=4 37 B10R1.13 CN1CCC(C(=O)O)CC1 BB56-1999 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.13 O=C1CCC(C(=O)O)CN1 BB58-1718 [0,0,0,0,0,1|1,0,2]=4 39 B10R1.54 O=C(O)CN1CCC(O)C1 BB32-1125 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.113 CC(=O)N1CCCC(O)C1 BB58-0084 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.113 CC1CCCC(C(=O)O)N1 BB57-2043 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.113 CN1CCCC(C(=O)O)C1 BB12-2768 [0,0,0,0,0,1|3,0,0]=4 43 B7R0.4 CC(=O)NCCCN BB32-2735 [1,0,1,0,0,0|2,0,0]=4 44 B7R0.4 CC(O)CNCCO BB57-2443 [1,0,1,0,0,0|0,0,1]=3 45 B7R0.4 CCCNCC(=O)O BB20-0186 [1,0,1,0,0,0|0,0,0]=2 46 B7R0.4 CCCNCC(C)O BB58-2124 [1,0,1,0,0,0|1,0,1]=4 47 B7R0.4 CCCOCC(=O)O BB55-7872 [1,0,1,0,0,0|1,0,0]=3 48 B7R0.4 CCCSCC(=O)O BB12-3263 [1,0,1,0,0,0|1,0,0]=3 49 B7R0.4 CCSCCC(=O)O BB12-3270 [1,0,1,0,0,0|2,0,0]=4 50 B7R0.4 NC(=O)CSCCO BB53-1357 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.4 O=C(O)CNCCO BB58-1263 [1,0,1,0,0,0|0,0,0]=2 52 B7R0.5 CC(=O)N(C)CCO BB55-7164 [1,0,1,0,0,0|2,0,0]=4 53 B7R0.5 CC(NC=O)C(=O)O BB12-1345 [1,0,1,0,0,0|0,0,2]=4 54 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [1,0,1,0,0,0|1,0,1]=4 55 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,0,1,0,0,0|1,0,0]=3 56 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,0,1,0,0,0|2,0,0]=4 57 B7R0.6 CC(C)SCC(=O)O BB12-3365 [1,0,1,0,0,0|2,0,0]=4 58 B7R0.6 CN(C)CCC(=O)O BB55-3488 [1,0,1,0,0,0|2,0,0]=4 59 B7R0.15 CCC(CN)C(=O)O BB58-3841 [1,0,1,0,0,0|2,0,0]=4 60 B7R0.15 CCC(NC)C(=O)O BB57-2477 [1,0,1,0,0,0|0,0,0]=2 61 B7R0.15 CCC(NC)C(N)=O BB57-1806 [1,0,1,0,0,0|1,0,0]=3 62 B7R0.15 CCC(OC)C(=O)O BB57-2928 [1,0,1,0,0,0|1,0,0]=3 63 B7R1.1 CCC1CCCN1 BB55-8085 [2,0,0,0,0,0|1,0,1]=4 64 B7R1.1 ClCC1CCCN1 BB54-3837 [2,0,0,0,0,0|1,0,1]=4 65 B7R1.2 CC1CNC(=O)C1 BB58-5429 [2,0,0,0,0,0|1,0,1]=4 66 B9R0.39 CN[C@H](CC(C)C)C(=O)O BB31-2327 [0,1,1,0,0,0|1,0,0]=3 67 B9R0.57 NC(CS(=O)(=O)O)C(=O)O BB55-7479 [0,1,1,0,0,0|2,0,0]=4 68 B9R0.53 CC(O)CN(C)CC(C)O BB58-2055 [0,1,1,0,0,0|1,0,1]=4 69 B9R1.11 CNC(=O)C1CCCC1 BB12-1626 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.11 CNC(=O)C1CCCN1 BB58-0643 [1,1,0,0,0,0|1,0,0]=3 71 B9R1.11 COC(=O)C1CCCC1 BB12-2996 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.11 COC(=O)[C@@H]1CSCN1 BB58-1738 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.11 NNC(=O)C1CCCC1 BB12-2640 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [1,1,0,0,0,0|0,0,0]=2 75 B9R1.41 CN1CSCC1C(=O)O BB12-1635 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.163 CC1(C(=O)O)CCCO1 BB12-1777 [1,1,0,0,0,0|1,0,0]=3 77 B9R1.163 CC1(C(=O)O)CCOC1 BB31-0673 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.163 NC1(C(=O)O)CCCC1 BB56-0255 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.95 COC1CC(C(=O)O)C1 BB58-3428 [0,1,0,0,1,0|0,0,0]=2 80 B11R1.3 O=C(O)C1CCC(CO)CC1 BB57-7148 [0,1,0,0,0,1|1,0,0]=3 81 B11R1.727 CC1(C)CCC(C(=O)O)CO1 BB58-3826 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.727 CC1(C)CNC(C(=O)O)CO1 BB31-1163 [0,1,0,0,0,1|1,0,0]=3 83 B11R1.727 CC1(C)COC(C(=O)O)CO1 BB58-4343 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.23 COC(=O)N1CCCC(O)C1 BB12-1763 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.730 CC1(C)CC(C(=O)O)CCO1 BB58-2169 [0,1,0,0,0,1|2,0,0]=4 86 B9R1.6 NC(=O)C1CCCCN1 BB57-5817 [0,0,1,1,0,0|2,0,0]=4 87 B9R1.6 NC(=O)C1CCCOC1 BB12-2057 [0,0,1,1,0,0|2,0,0]=4 88 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [0,0,1,1,0,0|2,0,0]=4 89 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [0,0,1,1,0,0|2,0,0]=4 90 B9R1.6 O=C(O)C1CCCOC1 BB54-3665 [0,0,1,1,0,0|1,0,0]=3 91 B9R1.6 O=C(O)C1CCSCN1 BB54-3501 [0,0,1,1,0,0|2,0,0]=4 92 B9R1.6 O=C(O)C1COCCO1 BB58-3665 [0,0,1,1,0,0|1,0,0]=3 93 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [0,0,1,1,0,0|2,0,0]=4 94 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [0,0,1,1,0,0|2,0,0]=4 95 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [0,0,1,1,0,0|2,0,0]=4 96 B7R1.18 NC(=O)C1CCC1 BB12-3033 [1,0,0,0,1,0|1,0,0]=3 97 B7R1.18 O=C(O)C1CCN1 BB57-4884 [1,0,0,0,1,0|0,0,0]=2 98 B7R1.18 O=C(O)C1CCO1 BB31-4760 [1,0,0,0,1,0|1,0,0]=3 99 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [0,0,0,0,2,0|1,0,0]=3 100 B9R0.55 O=C(O)CNNCC(=O)O BB58-2136 [0,0,1,0,0,1|1,0,1]=4 101 B9R1.13 O=C(O)CC1CCCO1 BB54-2725 [1,0,0,0,0,1|1,0,0]=3 102 B9R1.13 O=C(O)CN1CCCC1 BB12-2458 [1,0,0,0,0,1|2,0,0]=4 103 B11R1.20 CC1CCC(CC(=O)O)CC1 BB58-4368 [0,0,0,0,0,2|2,0,0]=4 104 B11R1.20 O=C(O)CN1CCC(O)CC1 BB12-3702 [0,0,0,0,0,2|2,0,0]=4 105 B11R1.157 O=C(O)CN1CCCC(O)C1 BB12-1741 [0,0,0,0,0,2|2,0,0]=4 106 B11R1.497 CC(=O)N1CCNCC(O)C1 BB57-4124 [0,0,0,0,0,2|2,0,0]=4