0 B8R0.8 CCCCC(O)C(=O)O T5224 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.8 CSCCC(N)C(=O)O TJO2742 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.8 CSCCC(O)C(=O)[O-] T5082 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [0,0,0,0,0,0|0,1,0]=1 6 B8R0.8 C[Se]CC[C@H](N)C(=O)O T5372 [0,0,0,0,0,0|0,1,0]=1 7 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.4 NCCCCC(=O)O T5089 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.5 CCCC(=O)C(=O)O T13484 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.5 CCCC(C)C(=O)O T5685 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.5 CCCC(N)C(=O)O T11054 [1,0,0,0,0,0|0,0,0]=1 14 B7R0.5 CCC[C@H](N)C(=O)O T4788 [1,0,0,0,0,0|0,0,0]=1 15 B7R0.5 CNC[C@H](N)C(=O)O T22911 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.5 CSC[C@H](N)C(=O)O T8072 [1,0,0,0,0,0|0,0,0]=1 17 B7R0.5 NC(CCS)C(=O)O T4863 [1,0,0,0,0,0|0,0,0]=1 18 B7R0.5 NCC[C@H](N)C(=O)O T7595 [1,0,0,0,0,0|1,0,0]=2 19 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [1,0,0,0,0,0|0,1,0]=2 20 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T8095 [0,1,0,0,0,0|2,0,0]=3 22 B9R0.7 CC(CCC(=O)O)C(=O)O T5063 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.7 CC(CCC(=O)O)C(=O)O T5260 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.7 CS(=O)CCC(N)C(=O)O T19418 [0,1,0,0,0,0|0,0,1]=2 25 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O T19264 [0,1,0,0,0,0|0,0,1]=2 26 B9R0.7 CS(=O)CC[C@H](N)C(=O)O T19397 [0,1,0,0,0,0|0,0,1]=2 27 B9R0.7 C[S+](C)CCC(N)C(=O)O T7908 [0,1,0,0,0,0|0,0,1]=2 28 B9R0.7 NC(=O)CCC(N)C(=O)O T0326 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O T6468 [0,1,0,0,0,0|2,0,0]=3 30 B9R0.7 NC(=O)CC[C@H](N)C(=O)O T0326L [0,1,0,0,0,0|2,0,0]=3 31 B9R0.7 NC(=O)NC[C@H](N)C(=O)O T20121 [0,1,0,0,0,0|3,0,0]=4 32 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,1,0,0,0,0|2,0,0]=3 33 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] T6871 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.7 N[C@H](CCC(=O)O)C(=O)O T10935 [0,1,0,0,0,0|2,0,0]=3 35 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O T15691 [0,1,0,0,0,0|3,0,0]=4 36 B9R0.47 C=CCSC[C@H](N)C(=O)O T2772 [0,1,0,0,0,0|1,0,1]=3 37 B9R0.47 NCCCCC(N)C(=O)O T19290 [0,1,0,0,0,0|1,0,0]=2 38 B9R0.47 NCCCC[C@H](N)C(=O)O T2A2498 [0,1,0,0,0,0|1,0,0]=2 39 B9R0.47 NCCCC[C@H](N)C(=O)O T8071 [0,1,0,0,0,0|1,0,0]=2 40 B9R0.47 NCCOC[C@H](N)C(=O)O T11795 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.6 O=C(O)C1=CCNCC1 T11684 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.6 O=C(O)C1CCCCC1 T5563 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.6 O=C(O)C1CCCCN1 T4819 [0,0,0,1,0,0|1,0,0]=2 44 B9R1.6 O=C(O)C1CCNCC1 T22348 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [0,0,0,1,0,0|1,0,0]=2 46 B9R1.6 O=C(O)[C@@H]1CCCNC1 T22482 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.6 O=C(O)[C@H]1CCCCN1 T13634 [0,0,0,1,0,0|1,0,0]=2 48 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [0,0,0,1,0,0|2,0,0]=3 49 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.35 O=C1N[C@H](C(=O)O)CS1 T5365 [0,0,0,1,0,0|3,0,0]=4 51 B6R0.4 C#CCCC(=O)O T0580 [2,0,0,0,0,0|0,0,2]=4 52 B6R0.4 CSCCC(=O)O T5285 [2,0,0,0,0,0|0,0,0]=2 53 B6R0.4 NCCCC(=O)O T0508 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.6 COCCCCO T7022 [2,0,0,0,0,0|0,1,1]=4 55 B6R0.3 CC(CN)C(=O)O T4887 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.3 CC(CO)C(=O)O T19619 [2,0,0,0,0,0|1,1,0]=4 57 B6R0.3 CCC(=O)C(=O)O T5060 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.3 CCC(O)C(=O)[O-] T4738 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.3 CC[C@@H](N)C(=O)O T19302 [2,0,0,0,0,0|0,0,0]=2 60 B6R0.3 CC[C@H](N)C(=O)O T5306 [2,0,0,0,0,0|0,0,0]=2 61 B6R0.3 C[C@@H](CN)C(=O)O T7357 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.3 NC(CO)C(=O)O T8363 [2,0,0,0,0,0|0,1,0]=3 63 B6R0.3 NC(CS)C(=O)O T8141 [2,0,0,0,0,0|0,0,0]=2 64 B6R0.3 NCC(N)C(=O)O T4755 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.3 NC[C@H](N)C(=O)O T5978 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.3 NC[C@H](N)C(=O)O T7335 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.3 N[C@@H](CCl)C(=O)O T6987 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [2,0,0,0,0,0|0,1,0]=3 69 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [2,0,0,0,0,0|0,0,0]=2 70 B6R0.3 N[C@H](CO)C(=O)O T8394 [2,0,0,0,0,0|0,1,0]=3 71 B8R0.7 NCCCCCC(=O)O T0881 [1,1,0,0,0,0|1,0,0]=3 72 B8R0.28 CC(=O)NCCC(=O)O T1373 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.28 O=C(O)CCCC(=O)O T4794 [1,1,0,0,0,0|2,0,0]=4 74 B8R0.2 CCC(C)C(=O)C(=O)O T8264 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O T5219 [1,1,0,0,0,0|0,0,0]=2 76 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O T0063 [1,1,0,0,0,0|0,0,0]=2 77 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.23 CC(C)CC(N)C(=O)O T4772 [1,1,0,0,0,0|0,0,0]=2 79 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [1,1,0,0,0,0|0,0,0]=2 80 B8R0.23 CC(C)C[C@H](O)C(=O)O T5294 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [1,1,0,0,0,0|0,1,1]=4 82 B8R0.23 NC(=O)C[C@H](N)C(=O)O T8392 [1,1,0,0,0,0|0,1,1]=4 83 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [1,1,0,0,0,0|0,1,1]=4 84 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [1,1,0,0,0,0|0,1,1]=4 85 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O T22485 [0,2,0,0,0,0|2,0,0]=4 86 B10R0.82 NCC(O)CCC(N)C(=O)O T4937 [0,2,0,0,0,0|1,0,0]=3 87 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O T15692 [0,2,0,0,0,0|2,0,0]=4 88 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O T22704 [0,2,0,0,0,0|2,0,0]=4 89 B10R0.92 N[C@H](CC[P@](=O)([O-])O)C(=O)O T22731 [0,2,0,0,0,0|2,0,0]=4 90 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O T16963 [0,2,0,0,0,0|2,0,0]=4 91 B10R0.88 CSCC[C@H](NC=O)C(=O)O T5055 [0,2,0,0,0,0|0,0,0]=2 92 B10R0.26 C=CCS(=O)C[C@H](N)C(=O)O T5764 [0,2,0,0,0,0|1,0,1]=4 93 B10R0.75 CCCCCCC(O)C(=O)O T7481 [0,2,0,0,0,0|2,0,0]=4 94 B10R0.75 N[C@@H](CSCCCO)C(=O)O T1481 [0,2,0,0,0,0|1,0,0]=3 95 B10R0.98 NC(CCCC(=O)O)C(=O)O T4705 [0,2,0,0,0,0|1,0,1]=4 96 B10R0.98 NC(CSCC(=O)O)C(=O)O T13440 [0,2,0,0,0,0|2,0,0]=4 97 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O T3612 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.50 N[C@H]1CCN(O)C1=O T23298 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.7 O=C(O)C1CSCN1 T0221 [1,0,0,1,0,0|1,0,0]=3 100 B8R1.7 O=C(O)C1CSSC1 T10388 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.7 O=C(O)[C@@H]1CCCN1 TN1593 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.7 O=C(O)[C@@H]1CSCN1 T4292 [1,0,0,1,0,0|1,0,0]=3 104 B8R1.7 O=C(O)[C@H]1CCCN1 T5302 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.78 NC1(C(=O)O)CCC1 T22542 [1,0,0,1,0,0|0,0,0]=2 106 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 T8091 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.15 COC(=O)C1CCCCC1 T22366 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 T4038 [0,1,0,1,0,0|1,0,1]=4