0 B9R0.47 C#CCOC[C@@H](C(=O)O)N HAA2355 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.47 C#CCSC[C@@H](C(=O)O)N HAA2350 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.47 C(CCN)C[C@@H](C(=O)O)N HAA1097 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.47 C(CCN)C[C@H](C(=O)O)N HAA1033 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.47 C(CN=[N+]=[N-])[C@@H](C(=O)O)N HAA5730 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.47 C(CN=[N+]=[N-])[C@H](C(=O)O)N HAA1630 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.47 C(CO)NC[C@@H](C(=O)O)N HAA1700 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.47 C(CO)NC[C@H](C(=O)O)N HAA1705 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.7 COCCOCC(=O)O PEG2020 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.8 C(C[C@@H](C(=O)O)N)C#N HAA5700 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [1,0,0,0,0,0|1,0,0]=2 14 B8R0.8 CSCC[C@@H](C(=O)N)N HAA6930 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [1,0,0,0,0,0|2,0,0]=3 17 B10R0.75 C(CC[C@@H](C(=O)O)N)CCN HAA1509 [0,1,0,0,0,0|1,0,0]=2 18 B10R0.75 C(C[C@@H](C(=O)O)N)CN=[N+]=[N-] HAA1620 [0,1,0,0,0,0|3,0,0]=4 19 B10R0.75 C(C[C@H](C(=O)O)N)CN=[N+]=[N-] HAA1895 [0,1,0,0,0,0|3,0,0]=4 20 B10R0.75 CCCCCC[C@@H](C(=O)O)N HAA5720 [0,1,0,0,0,0|1,0,0]=2 21 B10R0.75 CCCCCC[C@H](C(=O)O)N HAA5710 [0,1,0,0,0,0|1,0,0]=2 22 B10R0.82 COC(=O)CC[C@@H](C(=O)O)N HAA1236 [0,1,0,0,0,0|2,0,1]=4 23 B10R0.82 COC(=O)CC[C@H](C(=O)O)N HAA1564 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.83 COC(=O)[C@H](CCCCN)N HAA6910 [0,1,0,0,0,0|2,0,0]=3 25 B10R0.98 C(C[C@@H](C(=O)O)N)CC(=O)O HAA1089 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.98 CC(=O)NCC[C@@H](C(=O)O)N HAA1985 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N HAA1076 [0,0,0,1,0,0|1,0,0]=2 28 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N HAA1016 [0,0,0,1,0,0|1,0,0]=2 29 B10R1.113 C1C[C@H](C[C@H](C1)N)C(=O)O HAA5220 [0,0,0,1,0,0|1,0,0]=2 30 B10R1.363 C1CCC(CC1)(C(=O)O)N HAA1554 [0,0,0,1,0,0|1,0,0]=2 31 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N HAA8530 [0,0,0,0,0,1|2,0,0]=3 32 B10R0.6 C(CCN)C[C@H](CC(=O)O)N HAA8670 [0,0,0,0,0,1|2,0,0]=3 33 B10R0.6 CCCCCC(CC(=O)O)N HAA2455 [0,0,0,0,0,1|1,0,0]=2 34 B10R0.6 CCCCCC(CC(=O)O)N HAA2645 [0,0,0,0,0,1|1,0,0]=2 35 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.5 C(CO)[C@@H](C(=O)O)N HAA1090 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.5 C(CO)[C@H](C(=O)O)N HAA1028 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [2,0,0,0,0,0|2,0,0]=4 44 B9R0.2 C(CCN=[N+]=[N-])CC(=O)O AAA1970 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.2 COCCOCCC(=O)O PEG1630 [1,1,0,0,0,0|1,0,0]=3 46 B9R0.4 C=CCCC(CC(=O)O)N HAA2440 [1,1,0,0,0,0|0,0,2]=4 47 B9R0.4 C=CCCC(CC(=O)O)N HAA2630 [1,1,0,0,0,0|0,0,2]=4 48 B9R0.4 CCCCC(CC(=O)O)N HAA2450 [1,1,0,0,0,0|0,0,0]=2 49 B9R0.4 CCCCC(CC(=O)O)N HAA2640 [1,1,0,0,0,0|0,0,0]=2 50 B9R0.4 CSCC[C@@H](CC(=O)O)N HAA8540 [1,1,0,0,0,0|1,0,0]=3 51 B9R0.6 CCO[C@@H](C)[C@@H](C(=O)O)N HAA1670 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.6 CCO[C@H](C)[C@H](C(=O)O)N HAA1675 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HAA2290 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.7 CS(=O)CCC(C(=O)O)N HAA8160 [1,1,0,0,0,0|2,0,0]=4 55 B11R0.2 CCCCCCC(CC(=O)O)N HAA2460 [0,1,0,0,0,1|1,0,0]=3 56 B11R0.2 CCCCCCC(CC(=O)O)N HAA2650 [0,1,0,0,0,1|1,0,0]=3 57 B11R0.42 C(CCN=[N+]=[N-])C[C@@H](C(=O)O)N HAA1625 [0,2,0,0,0,0|2,0,0]=4 58 B11R0.42 C(CCN=[N+]=[N-])C[C@H](C(=O)O)N HAA1890 [0,2,0,0,0,0|2,0,0]=4 59 B9R1.6 C1CCN[C@@H](C1)C(=O)O HAA1124 [1,0,0,1,0,0|1,0,0]=3 60 B9R1.6 C1CCN[C@H](C1)C(=O)O HAA6470 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.6 C1COC[C@@H](N1)C(=O)O HAA8720 [1,0,0,1,0,0|2,0,0]=4 62 B9R1.6 C1COC[C@H](N1)C(=O)O HAA1582 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.6 C1CSC[C@@H](N1)C(=O)O HAA8750 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.6 C1CSC[C@H](N1)C(=O)O HAA8730 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.13 C1C[C@@H](NC1)CC(=O)O HAA8450 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.13 C1C[C@H](NC1)CC(=O)O HAA8560 [1,0,0,1,0,0|1,0,0]=3 67 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2365 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2555 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.41 CN1CCC[C@H]1C(=O)O HAA2250 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O HAA1785 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O HAA1780 [1,0,0,1,0,0|1,0,0]=3 72 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O HAA1172 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O HAA1169 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O HAA1159 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O HAA1171 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.163 C1CCC(C1)(C(=O)O)N HAA1555 [1,0,0,1,0,0|1,0,0]=3 77 B9R1.163 C[C@@]1(CCCN1)C(=O)O HAA1561 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.163 C[C@]1(CCCN1)C(=O)O HAA1228 [1,0,0,1,0,0|1,0,0]=3 79 B11R1.143 C1CC[C@H]([C@H](CC1)N)C(=O)O HAA2420 [0,0,0,1,0,1|1,0,0]=3 80 B11R1.143 C1CC[C@H]([C@H](CC1)N)C(=O)O HAA2610 [0,0,0,1,0,1|1,0,0]=3 81 B11R1.928 C1CCC(CC1)(CC(=O)O)N HAA2390 [0,0,0,1,0,1|1,0,0]=3 82 B11R1.928 C1CCC(CC1)(CC(=O)O)N HAA2580 [0,0,0,1,0,1|1,0,0]=3 83 B11R1.928 C1COCCC1(CC(=O)O)N HAA2505 [0,0,0,1,0,1|2,0,0]=4 84 B11R1.928 C1COCCC1(CC(=O)O)N HAA2695 [0,0,0,1,0,1|2,0,0]=4 85 B11R1.35 C1CCC(C1)C[C@@H](C(=O)O)N HAA1075 [0,1,0,1,0,0|1,0,0]=3 86 B11R1.35 C1CCC(C1)C[C@H](C(=O)O)N HAA1015 [0,1,0,1,0,0|1,0,0]=3 87 B11R1.36 C1CCC(CC1)[C@@H](C(=O)O)N HAA6060 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.36 C1CCC(CC1)[C@H](C(=O)O)N HAA6040 [0,1,0,1,0,0|1,0,0]=3 89 B11R1.220 C1CC(CCC1=O)(C(=O)O)N HAA1603 [0,1,0,1,0,0|1,0,1]=4