0 B8R0.2 CCC(C)C(=O)C(=O)O T8264 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O T5219 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O T0063 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.2 NCC(O)CC(=O)O T0028 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 NC[C@@H](O)CC(=O)O T21409 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.5 CCCC(=O)C(=O)O T13484 [1,0,0,0,0,0|0,0,0]=1 6 B7R0.5 CCCC(C)C(=O)O T5685 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.5 CCCC(N)C(=O)O T11054 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.5 CCC[C@H](N)C(=O)O T4788 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.5 CNC[C@H](N)C(=O)O T22911 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.5 CSC[C@H](N)C(=O)O T8072 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.5 NC(CCS)C(=O)O T4863 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.5 NCC[C@H](N)C(=O)O T7595 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.16 CC(C)C(=O)C(=O)O T5232 [1,0,0,0,0,0|0,0,0]=1 15 B7R0.16 CC(C)C(O)C(=O)O T5273 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.16 CC(C)[C@H](N)C(=O)O T2O2776 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O T2O2777 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O T21248 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T5076 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.29 CCC(C)C(CC)C(N)=O T17215 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O T7448 [0,1,0,0,0,0|1,0,1]=3 22 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O T2P2919 [0,1,0,0,0,0|1,0,1]=3 23 B6R0.2 CC(C)=CC(=O)O T5305 [2,0,0,0,0,0|0,0,1]=3 24 B6R0.2 CC(C)CC(=O)O T5609 [2,0,0,0,0,0|0,0,1]=3 25 B6R0.2 CC(C)CC(N)=O T0361 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.2 CC(O)CC(=O)O T4947 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.2 CN(C)CC(=O)O T4120 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.2 C[C@@H](O)CC(=O)O T5248 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.2 C[C@H](O)CC(=O)O T13979 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.4 CSCCC(=O)O T5285 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.4 NCCCC(=O)O T0508 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.4 NC\C=C\C(=O)O T23414 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.4 O=C(O)\C=C\CO T23473 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.3 CC(CN)C(=O)O T4887 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.3 CC(CO)C(=O)O T19619 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.3 CCC(=O)C(=O)O T5060 [2,0,0,0,0,0|0,0,0]=2 37 B6R0.3 CCC(O)C(=O)[O-] T4738 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.3 CC[C@@H](N)C(=O)O T19302 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.3 CC[C@H](N)C(=O)O T5306 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.3 C[C@@H](CN)C(=O)O T7357 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.3 C\C=C(/C)C(=O)O T5542 [2,0,0,0,0,0|0,0,2]=4 42 B6R0.3 C\C=C(\C)C(=O)O T3328 [2,0,0,0,0,0|0,0,2]=4 43 B6R0.3 NC(CO)C(=O)O T8363 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.3 NC(CS)C(=O)O T8141 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.3 NCC(N)C(=O)O T4755 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.3 NC[C@H](N)C(=O)O T5978 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.3 NC[C@H](N)C(=O)O T7335 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.3 N[C@@H](CCl)C(=O)O T6987 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.3 N[C@H](CO)C(=O)O T8394 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.3 O=C(O)C(=O)CBr T5882 [2,0,0,0,0,0|1,0,0]=3 53 B8R0.23 CC(C)C(N)CC(=O)O T5569 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.8 CCCCC(O)C(=O)O T5224 [1,1,0,0,0,0|0,0,2]=4 55 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [1,1,0,0,0,0|1,0,1]=4 56 B8R0.8 CSCCC(N)C(=O)O TJO2742 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [1,1,0,0,0,0|1,0,1]=4 58 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.8 C[Se]CC[C@H](N)C(=O)O T5372 [1,1,0,0,0,0|1,0,1]=4 60 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [1,1,0,0,0,0|1,0,1]=4 61 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [1,1,0,0,0,0|1,0,1]=4 62 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [1,1,0,0,0,0|1,0,1]=4 63 B8R0.27 CC(C)(S)C(N)C(=O)O T0983L [1,1,0,0,0,0|1,0,1]=4 64 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O T0983 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.13 CC(C)C(Br)C(=O)NC(N)=O T0227 [0,1,0,0,0,1|2,0,0]=4 66 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.7 O=C(O)[C@@H]1CCCN1 TN1593 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.7 O=C(O)[C@H]1CCCN1 T5302 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.78 NC1(C(=O)O)CCC1 T22542 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.50 N[C@H]1CCN(O)C1=O T23298 [1,0,0,1,0,0|2,0,0]=4 71 B10R1.475 CCC1(C)CC(=O)NC1=O T0728 [0,0,0,1,0,1|1,0,0]=3 72 B10R1.113 CN1CCC=C(C(=O)O)C1 T5799 [0,0,0,1,0,1|2,0,0]=4 73 B10R1.113 CN1CCC=C(C(=O)O)C1 TN1398 [0,0,0,1,0,1|2,0,0]=4 74 B10R0.57 NC(CS)C(=O)NCC(=O)O T4233 [0,0,0,0,0,2|2,0,0]=4