0 B9R1.35 CC(=O)N1CCC(=O)C1 AC-94648 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC1=CC=C(C(=O)O)N1 AC-93424 [0,0,0,0,0,0|1,0,3]=4 2 B9R1.35 CN1CCC(C(=O)O)C1 AC-31739 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CN1CCC(C(=O)O)C1 AC-50464 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 AC-66634 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 NC1=CC=C(C(=O)O)N1 AC-94509 [0,0,0,0,0,0|1,0,3]=4 6 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AC-80367 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AC-79269 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC-45056 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 AC-83227 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AC-16840 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 AC-83990 [0,0,0,0,0,0|1,0,2]=3 12 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 AC-85839 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 AC-16841 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 AC-66775 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.35 O=C1CC(C(=O)O)CN1 AC-57457 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 O=C1CCC(C(=O)O)N1 AC-24041 [0,0,0,0,0,0|0,0,0]=0 17 B9R1.35 O=C1CC[C@H](C(=O)O)N1 AC-10288 [0,0,0,0,0,0|0,0,0]=0 18 B9R1.35 O=C1NC=C(C(=O)O)N1 AC-58793 [0,0,0,0,0,0|1,0,2]=3 19 B8R1.1 O=C1CC[C@@H](CO)N1 AC-45768 [1,0,0,0,0,0|0,0,1]=2 20 B8R1.1 O=C1CC[C@H](CBr)N1 AC-25275 [1,0,0,0,0,0|1,0,1]=3 21 B8R1.1 O=C1CC[C@H](CO)N1 AC-45740 [1,0,0,0,0,0|0,0,1]=2 22 B8R1.7 NC(=O)C1CCCN1 AC-56570 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.7 NC(=O)C1CCCO1 AC-81426 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.7 NC(=O)C1CCNC1 AC-91916 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.7 NC(=O)[C@@H]1CCCN1 AC-11445 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.7 O=C(O)C1=CC=CN1 AC-24039 [1,0,0,0,0,0|0,0,3]=4 27 B8R1.7 O=C(O)C1=NC=CN1 AC-29764 [1,0,0,0,0,0|1,0,2]=4 28 B8R1.7 O=C(O)C1C=CCO1 AC-94554 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.7 O=C(O)C1CCCC1 AC-27255 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.7 O=C(O)C1CCCN1 AC-19172 [1,0,0,0,0,0|0,0,1]=2 31 B8R1.7 O=C(O)C1CCOC1 AC-44952 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 O=C(O)C1NCCS1 AC-62961 [1,0,0,0,0,0|1,0,1]=3 33 B8R1.7 O=C(O)[C@@H]1C=CCN1 AC-82950 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.7 O=C(O)[C@@H]1CCOC1 AC-63073 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.7 O=C(O)[C@H]1CCCN1 AC-10596 [1,0,0,0,0,0|0,0,1]=2 36 B8R1.7 O=C(O)[C@H]1CCCO1 AC-10530 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.7 O=C(O)[C@H]1CCNC1 AC-20499 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.7 O=C(O)[C@H]1CCNC1 AC-63692 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.7 O=C(O)[C@H]1CCOC1 AC-85377 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.14 COC(=O)C1=CNC(=O)N1 AC-84160 [0,1,0,0,0,0|1,0,2]=4 41 B10R1.14 COC(=O)C1CC(=O)CO1 AC-90577 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.14 COC(=O)C1CCC(=O)N1 AC-43347 [0,1,0,0,0,0|0,0,0]=1 43 B10R1.14 COC(=O)C1CCC(N)C1 AC-73697 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.14 COC(=O)C1CNC(=O)C1 AC-45695 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.14 COC(=O)N1CCC(=O)C1 AC-86486 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 AC-86895 [0,1,0,0,0,0|1,0,2]=4 47 B10R1.31 CCN1CCC(C(=O)O)C1 AC-75909 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.194 CN1CCC(C(=O)O)C1=O AC-75969 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.359 CC1(C)NC(C(=O)O)CS1 AC-87477 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.470 CN1CCC(C)(C(=O)O)C1 AC-75823 [0,1,0,0,0,0|3,0,0]=4 51 B8R0.8 NCCC[C@H](N)C(=O)O AC-10594 [0,0,1,0,0,0|1,0,1]=3 52 B8R0.23 C\C(=C\C(=O)O)C(=O)O AC-86741 [0,0,1,0,0,0|2,0,1]=4 53 B8R0.23 NC(=O)C[C@@H](N)C(=O)O AC-76859 [0,0,1,0,0,0|3,0,0]=4 54 B8R0.28 CN(C)CCCC(=O)O AC-51576 [0,0,1,0,0,0|3,0,0]=4 55 B10R2.357 [C@@H]12C[C@@H](C(N)=O)N[C@@H]1C2 AC-73828 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.23 CC1CC(C(=O)O)C1 AC-41624 [0,0,0,0,1,0|2,0,1]=4 57 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 AC-79281 [0,0,0,0,1,0|2,0,1]=4 58 B8R1.23 O=C(O)C1CC(Cl)C1 AC-88521 [0,0,0,0,1,0|2,0,1]=4 59 B8R1.23 O=C(O)C1CC(F)C1 AC-29373 [0,0,0,0,1,0|2,0,1]=4 60 B8R1.23 O=C(O)C1CC(O)C1 AC-37931 [0,0,0,0,1,0|1,0,2]=4 61 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 AC-41630 [0,0,0,0,1,0|1,0,2]=4 62 B10R1.13 CC1CCC(C(=O)O)CN1 AC-92143 [0,0,0,0,0,1|1,0,1]=3 63 B10R1.13 CN1CCC(C(=O)O)CC1 AC-31520 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.13 CN1CCC(C(=O)O)CC1 AC-59871 [0,0,0,0,0,1|3,0,0]=4 65 B10R1.13 NC1CCC(C(=O)O)CC1 AC-83075 [0,0,0,0,0,1|2,0,1]=4 66 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 AC-22593 [0,0,0,0,0,1|2,0,1]=4 67 B10R1.13 O=C1CC=C(C(=O)O)N=N1 AC-80949 [0,0,0,0,0,1|0,0,3]=4 68 B10R1.13 O=C1CCC(C(=O)O)CN1 AC-45451 [0,0,0,0,0,1|0,0,0]=1 69 B10R1.13 O=C1CCC(C(=O)O)NC1 AC-40587 [0,0,0,0,0,1|0,0,0]=1 70 B10R1.113 CN1CCCC(C(=O)O)C1 AC-44887 [0,0,0,0,0,1|3,0,0]=4 71 B10R1.113 CN1CCOC(C(=O)O)C1 AC-44885 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.113 NC1CCCC(C(=O)O)C1 AC-24444 [0,0,0,0,0,1|2,0,1]=4 73 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 AC-81150 [0,0,0,0,0,1|2,0,1]=4 74 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 AC-80481 [0,0,0,0,0,1|2,0,1]=4 75 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 AC-35029 [0,0,0,0,0,1|2,0,1]=4 76 B10R1.113 O=C1CCCC(C(=O)O)N1 AC-20592 [0,0,0,0,0,1|0,0,0]=1 77 B10R1.113 O=C1CCNC(C(=O)O)C1 AC-90635 [0,0,0,0,0,1|1,0,0]=2 78 B10R1.113 O=C1CCNC(C(=O)O)C1 AC-93850 [0,0,0,0,0,1|1,0,0]=2 79 B10R1.113 O=C1CNCC(C(=O)O)N1 AC-95896 [0,0,0,0,0,1|0,0,0]=1 80 B7R0.4 C=CCNCC(=O)O AC-32135 [1,0,1,0,0,0|2,0,0]=4 81 B7R0.4 CNCCCC(=O)O AC-81313 [1,0,1,0,0,0|2,0,0]=4 82 B7R0.5 C#CC[C@@H](N)C(=O)O AC-63825 [1,0,1,0,0,0|0,0,2]=4 83 B7R0.5 C=CC[C@H](N)C(=O)O AC-16624 [1,0,1,0,0,0|0,0,1]=3 84 B7R0.5 CCC[C@H](N)C(=O)O AC-15512 [1,0,1,0,0,0|0,0,1]=3 85 B7R0.5 COC[C@@H](N)C(=O)O AC-72094 [1,0,1,0,0,0|1,0,1]=4 86 B7R0.5 NC(CCO)C(=O)O AC-65691 [1,0,1,0,0,0|0,0,1]=3 87 B7R0.5 NCCC(N)C(=O)O AC-27327 [1,0,1,0,0,0|1,0,0]=3 88 B7R0.5 NCC[C@H](O)C(=O)O AC-10736 [1,0,1,0,0,0|2,0,0]=4 89 B7R0.5 N[C@H](CCO)C(=O)O AC-65692 [1,0,1,0,0,0|0,0,1]=3 90 B7R0.6 CC(=O)NCC(=O)O AC-22388 [1,0,1,0,0,0|0,0,0]=2 91 B7R0.6 CC(C)NCC(=O)O AC-84846 [1,0,1,0,0,0|1,0,1]=4 92 B7R1.1 O=CC1CCCO1 AC-31412 [2,0,0,0,0,0|1,0,1]=4 93 B7R1.1 OCC1CCCN1 AC-57969 [2,0,0,0,0,0|0,0,2]=4 94 B7R1.1 OC[C@@H]1CCCN1 AC-11523 [2,0,0,0,0,0|0,0,2]=4 95 B7R1.1 OC[C@H]1CCCN1 AC-11286 [2,0,0,0,0,0|0,0,2]=4 96 B7R1.2 NC1CCC(=O)C1 AC-82061 [2,0,0,0,0,0|2,0,0]=4 97 B7R1.2 NC1CCC(=O)C1 AC-84406 [2,0,0,0,0,0|2,0,0]=4 98 B7R1.2 O=C1C=C(O)CC1 AC-53397 [2,0,0,0,0,0|1,0,1]=4 99 B7R1.2 O=C1CC(O)CN1 AC-45367 [2,0,0,0,0,0|2,0,0]=4 100 B7R1.2 O=C1CSC(=O)N1 AC-13374 [2,0,0,0,0,0|1,0,1]=4 101 B7R1.2 O=C1C[C@H](O)CN1 AC-16846 [2,0,0,0,0,0|2,0,0]=4 102 B9R0.7 N=C(N)NC[C@H](N)C(=O)O AC-58517 [0,1,1,0,0,0|2,0,0]=4 103 B9R0.7 NC(=O)CCC(N)C(=O)O AC-17051 [0,1,1,0,0,0|0,0,0]=2 104 B9R0.7 NC(=O)[C@H](N)CCC(=O)O AC-80669 [0,1,1,0,0,0|1,0,0]=3 105 B9R0.7 NC(CCC(=O)O)C(=O)O AC-65809 [0,1,1,0,0,0|0,0,0]=2 106 B9R0.7 N[C@H](CCC(=O)O)C(=O)O AC-10287 [0,1,1,0,0,0|0,0,0]=2 107 B9R0.7 O=C(O)CCC(=O)C(=O)O AC-30094 [0,1,1,0,0,0|1,0,1]=4 108 B9R0.47 NCCCCC(N)C(=O)O AC-65095 [0,1,1,0,0,0|1,0,1]=4 109 B9R0.47 NCCCCC(N)C(=O)O AC-76916 [0,1,1,0,0,0|1,0,1]=4 110 B9R0.47 NCCCC[C@@H](N)C(=O)O AC-16152 [0,1,1,0,0,0|1,0,1]=4 111 B9R0.48 CCOC(=O)CCC(=O)O AC-28768 [0,1,1,0,0,0|1,0,0]=3 112 B9R0.48 CCOC(=O)CCC(N)=O AC-66589 [0,1,1,0,0,0|2,0,0]=4 113 B9R0.48 CCOC(=O)\C=C\C(=O)O AC-19101 [0,1,1,0,0,0|1,0,1]=4 114 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl AC-15168 [0,1,1,0,0,0|2,0,0]=4 115 B9R0.11 CC(C)(CC(=O)O)C(=O)O AC-76953 [0,1,1,0,0,0|2,0,0]=4 116 B9R0.53 O=C(O)CC(=O)CC(=O)O AC-24099 [0,1,1,0,0,0|1,0,1]=4 117 B9R1.11 COC(=O)C1CCCN1 AC-45325 [1,1,0,0,0,0|0,0,1]=3 118 B9R1.11 COC(=O)[C@@H]1CCCN1 AC-16155 [1,1,0,0,0,0|0,0,1]=3 119 B9R1.41 CN1CCC[C@@H]1C(=O)O AC-84576 [1,1,0,0,0,0|0,0,1]=3 120 B9R1.41 CN1CCC[C@H]1C(=O)O AC-45706 [1,1,0,0,0,0|0,0,1]=3 121 B9R1.41 NC1CCCC1C(=O)O AC-84484 [1,1,0,0,0,0|1,0,1]=4 122 B9R1.41 O=C(O)C1CCNC1=O AC-76461 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O AC-83608 [1,1,0,0,0,0|0,0,1]=3 124 B9R1.163 NC1(C(=O)O)CCCC1 AC-22601 [1,1,0,0,0,0|1,0,1]=4 125 B9R1.163 O=C(O)C1(O)CCCC1 AC-80615 [1,1,0,0,0,0|1,0,1]=4 126 B9R1.82 COC(=O)C1CC(=O)C1 AC-76972 [0,1,0,0,1,0|1,0,0]=3 127 B11R1.22 COC(=O)C1CCC(=O)CC1 AC-64667 [0,1,0,0,0,1|1,0,0]=3 128 B11R1.22 COC(=O)C1CCC(C)NC1 AC-89167 [0,1,0,0,0,1|1,0,1]=4 129 B11R1.22 COC(=O)N1CCC(=O)CC1 AC-88976 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.220 CC(=O)C1(C)CCC(=O)CC1 AC-90102 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 AC-75971 [0,1,0,0,0,1|1,0,0]=3 132 B11R1.23 COC(=O)C1CC(=O)CCN1 AC-41749 [0,1,0,0,0,1|1,0,0]=3 133 B11R1.23 COC(=O)C1CC(=O)CCN1 AC-83324 [0,1,0,0,0,1|1,0,0]=3 134 B11R1.23 COC(=O)C1CC(=O)CCO1 AC-84521 [0,1,0,0,0,1|1,0,0]=3 135 B11R1.23 COC(=O)C1CCCC(=O)C1 AC-92938 [0,1,0,0,0,1|1,0,0]=3 136 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 AC-81121 [0,1,0,0,0,1|0,0,1]=3 137 B11R1.15 CCOC(=O)N1CCC(=O)C1 AC-28711 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 AC-58724 [0,2,0,0,0,0|0,0,0]=2 139 B11R1.488 NC1CS(=O)(=O)CC1C(=O)O AC-95306 [0,2,0,0,0,0|2,0,0]=4 140 B9R1.6 O=C(O)C1CC=CCC1 AC-76927 [0,0,1,1,0,0|2,0,0]=4 141 B9R1.6 O=C(O)C1CCCCN1 AC-10556 [0,0,1,1,0,0|1,0,1]=4 142 B9R1.6 O=C(O)C1CCCCN1 AC-11054 [0,0,1,1,0,0|1,0,1]=4 143 B9R1.6 O=C(O)C1CCCCN1 AC-11295 [0,0,1,1,0,0|1,0,1]=4 144 B9R1.6 O=C(O)[C@@H]1CCCCN1 AC-77435 [0,0,1,1,0,0|1,0,1]=4 145 B9R1.6 O=C(O)[C@H]1CCCCN1 AC-40464 [0,0,1,1,0,0|1,0,1]=4 146 B9R1.69 O=C1CCC(Br)C(=O)N1 AC-80847 [0,0,1,1,0,0|2,0,0]=4 147 B9R1.112 N[C@@H](CC1CC1)C(=O)O AC-19072 [0,0,1,1,0,0|1,0,1]=4 148 B11R2.139 O=C1CC2CC(=O)CC2C1 AC-81157 [0,0,0,1,0,1|2,0,0]=4 149 B7R1.10 O=C1CC(CO)C1 AC-81896 [1,0,0,0,1,0|1,0,1]=4 150 B7R1.18 NC(=O)C1CCC1 AC-71954 [1,0,0,0,1,0|1,0,1]=4 151 B7R1.18 NC(=O)C1CCN1 AC-59671 [1,0,0,0,1,0|1,0,0]=3 152 B7R1.18 O=C(O)C1CCC1 AC-11357 [1,0,0,0,1,0|0,0,1]=3 153 B7R1.18 O=C(O)C1CCO1 AC-40084 [1,0,0,0,1,0|1,0,0]=3 154 B7R1.18 O=C(O)C1CNC1 AC-16023 [1,0,0,0,1,0|1,0,1]=4 155 B7R1.18 O=C(O)C1COC1 AC-40085 [1,0,0,0,1,0|1,0,1]=4 156 B7R1.18 O=C(O)[C@@H]1CCN1 AC-16024 [1,0,0,0,1,0|0,0,0]=2 157 B7R1.18 O=C(O)[C@H]1CCN1 AC-20594 [1,0,0,0,1,0|0,0,0]=2 158 B9R1.2 O=C1CCCC(CO)C1 AC-84030 [1,0,0,0,0,1|1,0,1]=4 159 B9R1.13 O=C(O)CC1CCCC1 AC-45162 [1,0,0,0,0,1|1,0,1]=4 160 B9R1.13 O=C(O)CC1CCNC1 AC-45709 [1,0,0,0,0,1|2,0,0]=4 161 B9R1.13 O=C(O)CC1CCOC1 AC-31430 [1,0,0,0,0,1|2,0,0]=4 162 B11R1.20 CC(=O)NC1CCC(=O)CC1 AC-22261 [0,0,0,0,0,2|2,0,0]=4 163 B11R1.20 CC(=O)OC1CCC(=O)CC1 AC-95088 [0,0,0,0,0,2|2,0,0]=4 164 B11R1.20 O=C(O)CN1CCC(=O)CC1 AC-91453 [0,0,0,0,0,2|2,0,0]=4