0 B8R0.7 CC(=O)NCCCCN T7508 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.7 CS(=O)CCCN=C=S T15544 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.7 N=C(N)NCCCCN T4808 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.7 NCCCCCC(=O)O T0881 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.4 CCCCCC(C)N T0359 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.4 NCCCCC(=O)O T5089 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.1 COC(=O)CCCC(=O)O T4764 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.2 CC(=O)NCCCCCN T5222 [0,1,0,0,0,0|1,0,0]=2 8 B9R0.2 CCCCCCCC(=O)O T3946 [0,1,0,0,0,0|1,0,0]=2 9 B9R0.2 CCCCC\C=C\C(=O)O T5261 [0,1,0,0,0,0|1,0,1]=3 10 B9R0.2 CS(=O)CCCCN=C=S TQ0207 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.2 C[S@@](=O)CCCCN=C=S T8281 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.47 NCCCCC(N)C(=O)O T19290 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.47 NCCCC[C@H](N)C(=O)O T2A2498 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.47 NCCCC[C@H](N)C(=O)O T8071 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.47 NCCOC[C@H](N)C(=O)O T11795 [0,1,0,0,0,0|3,0,0]=4 16 B9R0.55 CC(=O)NCCCC(=O)O T4728 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.55 O=C(O)CCCCC(=O)O T2228 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.55 O=C(O)CCCCC(=O)O T7146 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.6 O=C(O)C1CCCCC1 T5563 [0,0,0,1,0,0|1,0,0]=2 20 B9R1.6 O=C(O)C1CCCCN1 T4819 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.6 O=C(O)C1CCNCC1 T22348 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.6 O=C(O)[C@@H]1CCCNC1 T22482 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.6 O=C(O)[C@H]1CCCCN1 T13634 [0,0,0,1,0,0|2,0,0]=3 25 B6R0.6 COCCCCO T7022 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.6 NCCCCCN T4895 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 CSCCC(=O)O T5285 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 NCCCC(=O)O T0508 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.4 CCCCCCCCO T10024 [1,1,0,0,0,0|0,0,1]=3 30 B8R0.4 NCCCCCCCN T7998 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.6 CCCCCC(O)CC TN1267 [1,1,0,0,0,0|0,0,1]=3 32 B8R0.8 CCCCC(O)C(=O)O T5224 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [1,1,0,0,0,0|1,0,0]=3 34 B8R0.8 CSCCC(N)C(=O)O TJO2742 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.8 CSCCC(O)C(=O)[O-] T5082 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.8 C[Se]CC[C@H](N)C(=O)O T5372 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.28 CC(C)CCCC(C)N T0043 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.28 CC(C)CCCC(C)N T22389 [1,1,0,0,0,0|1,0,1]=4 44 B10R0.3 CC(C)=CCCC(C)CCO T3240 [0,2,0,0,0,0|1,0,1]=4 45 B10R0.3 CC(C)=CCC[C@@H](C)CCO T8266 [0,2,0,0,0,0|1,0,1]=4 46 B10R0.82 NCC(O)CCC(N)C(=O)O T4937 [0,2,0,0,0,0|2,0,0]=4 47 B10R0.4 CCCCCCCCC(=O)O T3947 [0,2,0,0,0,0|1,0,0]=3 48 B10R0.4 NCCCCCCCC(=O)O T8102 [0,2,0,0,0,0|1,0,0]=3 49 B10R0.75 CCCCCCC(O)C(=O)O T7481 [0,2,0,0,0,0|1,0,0]=3 50 B10R0.75 N[C@@H](CSCCCO)C(=O)O T1481 [0,2,0,0,0,0|2,0,0]=4 51 B10R0.97 O=C(O)CCCCCC(=O)O T4795 [0,2,0,0,0,0|1,0,1]=4 52 B10R0.15 C[N+](C)(C)CCCCC(=O)[O-] T19274 [0,2,0,0,0,0|2,0,0]=4 53 B8R1.11 CCN1CCCC1=O T13823 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.4 CC1CCCC(C)N1 T1007 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.7 O=C(O)[C@@H]1CCCN1 TN1593 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.7 O=C(O)[C@H]1CCCN1 T5302 [1,0,0,1,0,0|2,0,0]=4 58 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 T8091 [0,1,0,1,0,0|1,0,0]=3 59 B10R1.61 O=C(O)C1CCCCN1O T19458 [0,1,0,1,0,0|2,0,0]=4 60 B10R1.15 COC(=O)C1CCCCC1 T22366 [0,1,0,1,0,0|0,0,0]=2 61 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O T3251 [0,1,0,1,0,0|2,0,0]=4 62 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] T23398 [0,1,0,1,0,0|2,0,0]=4 63 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] T5769 [0,1,0,1,0,0|2,0,0]=4 64 B10R2.71 O=C1CC2CCC(C1)N2 T1702 [0,0,0,2,0,0|1,0,0]=3