0 B9R1.6 O=C(O)C1=CCCNC1 T7557 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.6 O=C(O)C1=CCCNC1 TN1717 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.6 O=C(O)C1=CCNCC1 T11684 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.6 O=C(O)C1CCCCC1 T5563 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.6 O=C(O)C1CCCCN1 T4819 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 O=C(O)C1CCNCC1 T22348 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 O=C(O)[C@@H]1CCCNC1 T22482 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.6 O=C(O)[C@H]1CCCCN1 T13634 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 T8091 [0,1,0,0,0,0|0,0,0]=1 10 B10R1.15 COC(=O)C1=CCCNC1 T5805 [0,1,0,0,0,0|1,0,2]=4 11 B10R1.15 COC(=O)C1CCCCC1 T22366 [0,1,0,0,0,0|0,0,0]=1 12 B10R1.61 O=C(O)C1CCCCN1O T19458 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 T4038 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.113 CN1CCC=C(C(=O)O)C1 T5799 [0,1,0,0,0,0|1,0,2]=4 15 B10R1.113 CN1CCC=C(C(=O)O)C1 TN1398 [0,1,0,0,0,0|1,0,2]=4 16 B8R0.7 CC(=O)NCCCCN T7508 [0,0,1,0,0,0|3,0,0]=4 17 B8R0.7 NCCCCCC(=O)O T0881 [0,0,1,0,0,0|1,0,0]=2 18 B8R0.8 CCCCC(O)C(=O)O T5224 [0,0,1,0,0,0|1,0,0]=2 19 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,0,1,0,0,0|1,0,0]=2 20 B8R0.8 CSCCC(N)C(=O)O TJO2742 [0,0,1,0,0,0|2,0,0]=3 21 B8R0.8 CSCCC(O)C(=O)[O-] T5082 [0,0,1,0,0,0|2,0,1]=4 22 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [0,0,1,0,0,0|2,0,0]=3 23 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [0,0,1,0,0,0|2,0,0]=3 24 B8R0.8 C[Se]CC[C@H](N)C(=O)O T5372 [0,0,1,0,0,0|2,0,0]=3 25 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [0,0,1,0,0,0|2,0,0]=3 26 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [0,0,1,0,0,0|2,0,0]=3 27 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [0,0,1,0,0,0|2,0,0]=3 28 B8R1.7 O=C(O)C1CSCN1 T0221 [0,0,0,0,1,0|2,0,0]=3 29 B8R1.7 O=C(O)C1CSSC1 T10388 [0,0,0,0,1,0|2,0,0]=3 30 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [0,0,0,0,1,0|1,0,0]=2 31 B8R1.7 O=C(O)[C@@H]1CCCN1 TN1593 [0,0,0,0,1,0|1,0,0]=2 32 B8R1.7 O=C(O)[C@@H]1CSCN1 T4292 [0,0,0,0,1,0|2,0,0]=3 33 B8R1.7 O=C(O)[C@H]1CCCN1 T5302 [0,0,0,0,1,0|1,0,0]=2 34 B8R1.7 S=C([S-])N1CCCC1 T3147 [0,0,0,0,1,0|1,2,0]=4 35 B7R0.4 NCCCCC(=O)O T5089 [1,0,1,0,0,0|1,0,0]=3 36 B7R0.5 CCCC(=O)C(=O)O T13484 [1,0,1,0,0,0|1,0,1]=4 37 B7R0.5 CCCC(C)C(=O)O T5685 [1,0,1,0,0,0|0,0,0]=2 38 B7R0.5 CCCC(N)C(=O)O T11054 [1,0,1,0,0,0|1,0,0]=3 39 B7R0.5 CCC[C@H](N)C(=O)O T4788 [1,0,1,0,0,0|1,0,0]=3 40 B7R0.5 CNC[C@H](N)C(=O)O T22911 [1,0,1,0,0,0|2,0,0]=4 41 B7R0.5 CSC[C@H](N)C(=O)O T8072 [1,0,1,0,0,0|2,0,0]=4 42 B7R0.5 NC(CCS)C(=O)O T4863 [1,0,1,0,0,0|2,0,0]=4 43 B7R0.5 NCC[C@H](N)C(=O)O T7595 [1,0,1,0,0,0|2,0,0]=4 44 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [1,0,1,0,0,0|2,0,0]=4 45 B7R1.3 NN1CCCCC1 T0533 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.3 O=C1CCCCO1 T4821 [2,0,0,0,0,0|1,0,1]=4 47 B9R0.1 COC(=O)CCCC(=O)O T4764 [0,1,1,0,0,0|1,0,1]=4 48 B9R0.2 CC(=O)NCCCCCN T5222 [0,1,1,0,0,0|2,0,0]=4 49 B9R0.2 CCCCCCCC(=O)O T3946 [0,1,1,0,0,0|0,0,0]=2 50 B9R0.2 CCCCC\C=C\C(=O)O T5261 [0,1,1,0,0,0|0,0,1]=3 51 B9R0.47 NCCCCC(N)C(=O)O T19290 [0,1,1,0,0,0|1,0,0]=3 52 B9R0.47 NCCCC[C@H](N)C(=O)O T2A2498 [0,1,1,0,0,0|1,0,0]=3 53 B9R0.47 NCCCC[C@H](N)C(=O)O T8071 [0,1,1,0,0,0|1,0,0]=3 54 B9R0.47 NCCOC[C@H](N)C(=O)O T11795 [0,1,1,0,0,0|2,0,0]=4 55 B9R0.55 CC(=O)NCCCC(=O)O T4728 [0,1,1,0,0,0|1,0,1]=4 56 B9R0.55 O=C(O)CCCCC(=O)O T2228 [0,1,1,0,0,0|1,0,1]=4 57 B9R0.55 O=C(O)CCCCC(=O)O T7146 [0,1,1,0,0,0|1,0,1]=4 58 B9R0.7 CC(CCC(=O)O)C(=O)O T5063 [0,1,1,0,0,0|1,0,1]=4 59 B9R0.7 CC(CCC(=O)O)C(=O)O T5260 [0,1,1,0,0,0|1,0,1]=4 60 B9R0.7 CS(=O)CCC(N)C(=O)O T19418 [0,1,1,0,0,0|2,0,0]=4 61 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O T19264 [0,1,1,0,0,0|2,0,0]=4 62 B9R0.7 CS(=O)CC[C@H](N)C(=O)O T19397 [0,1,1,0,0,0|2,0,0]=4 63 B9R0.7 C[S+](C)CCC(N)C(=O)O T7908 [0,1,1,0,0,0|2,0,0]=4 64 B9R0.15 CCCC(CCC)C(=O)O T6474 [0,1,1,0,0,0|0,0,0]=2 65 B9R0.15 CCCC(CCC)C(=O)O T7064 [0,1,1,0,0,0|0,0,0]=2 66 B9R0.15 CCCC(CCC)C(=O)[O-] T1602 [0,1,1,0,0,0|0,0,1]=3 67 B9R0.15 CCCC(CCC)C(N)=O T0355 [0,1,1,0,0,0|1,0,0]=3 68 B9R0.29 CCC(C)C(CC)C(N)=O T17215 [0,1,1,0,0,0|1,0,0]=3 69 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 T2A2476 [0,1,0,0,1,0|1,0,0]=3 70 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 T4712 [0,1,0,0,1,0|1,0,0]=3 71 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [0,1,0,0,1,0|1,0,1]=4 72 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [0,1,0,0,1,0|1,0,1]=4 73 B11R1.509 O=S(=O)(O)NC1CCCCC1 T0941 [0,1,0,0,0,1|1,0,0]=3 74 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 T0949 [0,2,0,0,0,0|0,0,0]=2 75 B11R1.21 C=C(C)[C@@H]1CC[C@@H](C)[C@H](O)C1 T8243 [0,2,0,0,0,0|2,0,0]=4 76 B11R1.166 C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1O Fr14207 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.166 C=C(C)[C@H]1CC[C@H](C)C[C@@H]1O T8275 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.727 C=C(C)C1CCC(C)(O)CC1 T8367 [0,2,0,0,0,0|2,0,0]=4 79 B7R1.18 O=C(O)C1CCN1 T8100 [0,0,0,0,2,0|1,0,0]=3