0 B8R0.9 NCC(=O)CCC(=O)O AC-054 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 NCC(=O)CCC(=O)O AC-4252 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C#CCNCC(=O)O AC-6385 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.4 C=CCNCC(=O)O AC-9106 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.4 NCCCCC(=O)O AC-6337 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.4 O=C(O)CCCCBr AC-1769 [1,0,0,0,0,0|1,0,1]=3 6 B9R0.7 CC(=O)OC[C@H](N)C(=O)O AC-9103 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.7 NC(=O)CCC(N)C(=O)O AC-24108 [0,1,0,0,0,0|2,0,0]=3 8 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O AC-11673 [0,1,0,0,0,0|2,0,0]=3 9 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O AC-24107 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.7 NC(CCC(=O)O)C(=O)O AC-24034 [0,1,0,0,0,0|1,0,0]=2 11 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AC-11294 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.7 N[C@H](CCC(=O)O)C(=O)O AC-15064 [0,1,0,0,0,0|1,0,0]=2 13 B9R0.7 N[C@H](CCC(=O)O)C(=O)O AC-24113 [0,1,0,0,0,0|1,0,0]=2 14 B9R0.23 CCC(C)[C@@H](N)CC(=O)O AC-22075 [0,1,0,0,0,0|1,0,2]=4 15 B9R1.1 O=CC1CCC(=O)CC1 AC-13307 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 CC1CNC(C(=O)O)C1 AC-10127 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.35 CC1CN[C@H](C(=O)O)C1 AC-14709 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 AC-7955 [0,0,0,1,0,0|0,0,0]=1 19 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AC-7959 [0,0,0,1,0,0|0,0,2]=3 20 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 AC-7956 [0,0,0,1,0,0|0,0,0]=1 21 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC-7960 [0,0,0,1,0,0|0,0,2]=3 22 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 AC-2246 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 AC-33232 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 AC-2249 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 AC-2247 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AC-2250 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AC-25586 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 AC-3101 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 AC-4323 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 AC-2248 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 AC-22426 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 AC-22731 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.69 NC1CCC(=O)NC1=O AC-22354 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.69 NC1CCC(=O)NC1=O AC-22355 [0,0,0,1,0,0|2,0,0]=3 35 B7R0.2 CC[C@@H](N)CC(=O)O AC-9143 [0,0,0,0,1,0|0,0,2]=3 36 B7R0.2 NC[C@@H](O)CC(=O)O AC-13943 [0,0,0,0,1,0|2,0,1]=4 37 B7R0.2 NC[C@H](O)CC(=O)O AC-13944 [0,0,0,0,1,0|2,0,1]=4 38 B7R0.2 N[C@@H](CO)CC(=O)O AC-22091 [0,0,0,0,1,0|1,0,1]=3 39 B7R0.2 N[C@H](CO)CC(=O)O AC-22092 [0,0,0,0,1,0|1,0,1]=3 40 B6R0.4 CC(=O)NCCN AC-7474 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 O=C(O)CCCBr AC-6279 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.8 [C@@H](N)(CCC=C)C(=O)O AC-27596 [1,1,0,0,0,0|2,0,0]=4 43 B8R0.8 [C@H](N)(CCC=C)C(=O)O AC-27595 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.5 C#CC[C@@H](N)CC(=O)O AC-22136 [1,1,0,0,0,0|0,0,2]=4 45 B8R0.5 C#CC[C@H](N)CC(=O)O AC-22135 [1,1,0,0,0,0|0,0,2]=4 46 B8R0.5 C=CC[C@@H](N)CC(=O)O AC-22130 [1,1,0,0,0,0|0,0,0]=2 47 B8R0.5 C=CC[C@H](N)CC(=O)O AC-22129 [1,1,0,0,0,0|0,0,0]=2 48 B8R0.7 NCCCCCC(=O)O AC-035 [1,1,0,0,0,0|0,0,2]=4 49 B8R0.23 CC(C)CC(N)C(=O)O AC-24099 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.23 CC(C)C[C@@H](N)C(=O)O AC-8658 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.23 CC(C)[C@H](N)CC(=O)O AC-22100 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.23 CC(C)[C@H](N)CC(=O)O AC-27722 [1,1,0,0,0,0|1,0,1]=4 53 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O AC-22094 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.23 NC(=O)CC(N)C(=O)O AC-24125 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.23 NC(=O)C[C@@H](N)C(=O)O AC-7160 [1,1,0,0,0,0|1,0,1]=4 56 B8R0.23 NC(=O)C[C@H](N)C(=O)O AC-4657 [1,1,0,0,0,0|1,0,1]=4 57 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O AC-11146 [0,1,0,0,0,1|1,0,0]=3 58 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O AC-22381 [0,1,0,0,0,1|1,0,0]=3 59 B10R0.43 CC(C)(CCC(=O)O)C(=O)O AC-5286 [0,2,0,0,0,0|2,0,0]=4 60 B10R0.26 C=CC[S@](=O)C[C@H](N)C(=O)O AC-34724 [0,2,0,0,0,0|2,0,0]=4 61 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O AC-22073 [0,2,0,0,0,0|1,0,1]=4 62 B10R0.96 NC(CCC(=O)O)CC(=O)O AC-24583 [0,2,0,0,0,0|0,0,1]=3 63 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O AC-22070 [0,2,0,0,0,0|0,0,1]=3 64 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 AC-24290 [1,0,0,1,0,0|0,0,1]=3 65 B8R1.1 O=C1CC[C@H](CO)N1 AC-4424 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.4 O=C1CCCC(=O)C1 AC-6960 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.7 O=C(O)C1=COCC1 AC-31027 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.7 O=C(O)C1CC=CC1 AC-6528 [1,0,0,1,0,0|0,0,2]=4 69 B8R1.7 O=C(O)C1CCCN1 AC-24084 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.7 O=C(O)C1CCNC1 AC-24626 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.7 O=C(O)C1CCNC1 AC-710 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.7 O=C(O)[C@@H]1C=CCN1 AC-2606 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.7 O=C(O)[C@@H]1CCCN1 AC-11190 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.7 O=C(O)[C@H]1CCCN1 AC-24083 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.7 O=C(O)[C@H]1CCCO1 AC-3416 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.7 O=C(O)[C@H]1CCCO1 AC-3417 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.23 O=C(O)C1CC(O)C1 AC-25285 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.77 CC1(C)CC1C(=O)O AC-13096 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.77 CC1(C)C[C@@H]1C(=O)O AC-9861 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.77 O=C(O)C1CC1(F)Cl AC-31180 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.66 O=C(O)CCC1=CC=CS1 AC-6474 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.66 O=C(O)CCC1=CNC=N1 AC-25677 [0,1,0,1,0,0|0,0,2]=4 83 B10R1.66 O=C(O)CCC1=NC=CS1 AC-6475 [0,1,0,1,0,0|0,0,2]=4 84 B10R1.66 O=C(O)CCN1C=CN=C1 AC-26473 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.66 O=C(O)CCN1C=NC=N1 AC-14370 [0,1,0,1,0,0|1,0,1]=4 86 B6R0.2 CC(O)CC(=O)O AC-5701 [1,0,0,0,1,0|1,0,1]=4 87 B6R0.2 C[C@@H](N)CC(=O)O AC-22067 [1,0,0,0,1,0|0,0,1]=3 88 B6R0.2 C[C@H](N)CC(=O)O AC-5698 [1,0,0,0,1,0|0,0,1]=3 89 B6R0.3 C=C[C@H](N)C(=O)O AC-22586 [0,0,0,0,2,0|0,0,0]=2 90 B6R0.3 CC[C@@H](N)C(=O)O AC-1209 [0,0,0,0,2,0|0,0,2]=4 91 B6R0.3 CC[C@H](N)C(=O)O AC-23985 [0,0,0,0,2,0|0,0,2]=4 92 B6R0.3 NC(CO)C(=O)O AC-24074 [0,0,0,0,2,0|1,0,1]=4 93 B6R0.3 NCC(N)C(=O)O AC-22379 [0,0,0,0,2,0|1,0,1]=4 94 B6R0.3 NCC(N)C(=O)O AC-5659 [0,0,0,0,2,0|1,0,1]=4 95 B6R0.3 NC[C@@H](N)C(=O)O AC-5660 [0,0,0,0,2,0|1,0,1]=4 96 B6R0.3 NC[C@H](N)C(=O)O AC-5654 [0,0,0,0,2,0|1,0,1]=4 97 B6R0.3 N[C@@H](CCl)C(=O)O AC-22368 [0,0,0,0,2,0|1,0,1]=4 98 B6R0.3 N[C@@H](CCl)C(=O)O AC-8102 [0,0,0,0,2,0|1,0,1]=4 99 B6R0.3 N[C@@H](CS)C(=O)O AC-12796 [0,0,0,0,2,0|1,0,1]=4 100 B6R0.3 N[C@H](CO)C(=O)O AC-24073 [0,0,0,0,2,0|1,0,1]=4 101 B6R0.3 N[C@H](CS)C(=O)O AC-7470 [0,0,0,0,2,0|1,0,1]=4 102 B6R0.3 N[C@H](CS)C(=O)O AC-7471 [0,0,0,0,2,0|1,0,1]=4 103 B6R0.3 OC(=O)[C@H](CO)N AC-1190 [0,0,0,0,2,0|1,0,1]=4 104 B6R0.3 [C@H](N)(CC)C(=O)O AC-1817 [0,0,0,0,2,0|0,0,2]=4