0 B8R1.7 C1C=C[C@H](N1)C(=O)O HAA6180 [0,0,0,0,0,0|0,0,2]=2 1 B8R1.7 C1C[C@@H](NC1)C(=O)N HAA1047 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.7 C1C[C@@H](NC1)C(=O)O HAA1048 [0,0,0,0,0,0|0,0,0]=0 3 B8R1.7 C1C[C@H](NC1)C(=O)N HAA7160 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.7 C1C[C@H](NC1)C(=O)O HAA1126 [0,0,0,0,0,0|0,0,0]=0 5 B8R1.7 C1[C@H](NCS1)C(=O)O HAA1132 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.1 C1C[C@@H](NC1)CO HAL1025 [1,0,0,0,0,0|0,0,1]=2 7 B7R1.1 C1C[C@H](NC1)CO FAL1015 [1,0,0,0,0,0|0,0,1]=2 8 B9R1.11 COC(=O)[C@@H]1C=CCN1 HAA6190 [0,1,0,0,0,0|0,0,2]=3 9 B9R1.11 COC(=O)[C@@H]1CCCN1 HAA1127 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.11 COC(=O)[C@H]1CCCN1 HAA6510 [0,1,0,0,0,0|0,0,0]=1 11 B9R1.35 C1C(N=C(S1)N)C(=O)O HAA5890 [0,1,0,0,0,0|1,0,2]=4 12 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O HAA1189 [0,1,0,0,0,0|0,0,1]=2 13 B9R1.35 C1CC(=O)N[C@H]1C(=O)O HAA1049 [0,1,0,0,0,0|0,0,1]=2 14 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O HAA1172 [0,1,0,0,0,0|0,0,0]=1 15 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O HAA1169 [0,1,0,0,0,0|0,0,0]=1 16 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O HAA1159 [0,1,0,0,0,0|0,0,0]=1 17 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O HAA1171 [0,1,0,0,0,0|0,0,0]=1 18 B9R1.41 C1C=C[C@@H]([C@@H]1C(=O)O)N HAA2400 [0,1,0,0,0,0|1,0,2]=4 19 B9R1.41 C1C=C[C@@H]([C@@H]1C(=O)O)N HAA2590 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2365 [0,1,0,0,0,0|1,0,0]=2 21 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2555 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.41 CN1CCC[C@H]1C(=O)O HAA2250 [0,1,0,0,0,0|0,0,0]=1 23 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O HAA1785 [0,1,0,0,0,0|0,0,0]=1 24 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O HAA1780 [0,1,0,0,0,0|0,0,0]=1 25 B9R1.163 C1CCC(C1)(C(=O)O)N HAA1555 [0,1,0,0,0,0|1,0,0]=2 26 B9R1.163 C[C@@]1(CCCN1)C(=O)O HAA1561 [0,1,0,0,0,0|0,0,0]=1 27 B9R1.163 C[C@]1(CCCN1)C(=O)O HAA1228 [0,1,0,0,0,0|0,0,0]=1 28 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7150 [0,0,1,0,0,0|0,0,2]=3 29 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7151 [0,0,1,0,0,0|0,0,2]=3 30 B7R0.5 C#CC[C@H](C(=O)O)N HAA6490 [0,0,1,0,0,0|0,0,2]=3 31 B7R0.5 C(C#N)[C@@H](C(=O)O)N HAA5740 [0,0,1,0,0,0|1,0,1]=3 32 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [0,0,1,0,0,0|1,0,0]=2 33 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [0,0,1,0,0,0|1,0,0]=2 34 B7R0.5 C(CO)[C@@H](C(=O)O)N HAA1090 [0,0,1,0,0,0|1,0,0]=2 35 B7R0.5 C(CO)[C@H](C(=O)O)N HAA1028 [0,0,1,0,0,0|1,0,0]=2 36 B7R0.5 C=CC[C@@H](C(=O)O)N HAA7320 [0,0,1,0,0,0|0,0,2]=3 37 B7R0.5 C=CC[C@H](C(=O)O)N HAA7260 [0,0,1,0,0,0|0,0,2]=3 38 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [0,0,1,0,0,0|0,0,0]=1 39 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [0,0,1,0,0,0|0,0,0]=1 40 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [0,0,1,0,0,0|1,0,0]=2 41 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [0,0,1,0,0,0|1,0,0]=2 42 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [0,0,1,0,0,0|1,0,0]=2 43 B9R1.6 C1CCN[C@@H](C1)C(=O)O HAA1124 [0,0,0,0,0,1|0,0,0]=1 44 B9R1.6 C1CCN[C@H](C1)C(=O)O HAA6470 [0,0,0,0,0,1|0,0,0]=1 45 B9R1.6 C1COC[C@@H](N1)C(=O)O HAA8720 [0,0,0,0,0,1|0,0,0]=1 46 B9R1.6 C1COC[C@H](N1)C(=O)O HAA1582 [0,0,0,0,0,1|0,0,0]=1 47 B9R1.6 C1CSC[C@@H](N1)C(=O)O HAA8750 [0,0,0,0,0,1|0,0,0]=1 48 B9R1.6 C1CSC[C@H](N1)C(=O)O HAA8730 [0,0,0,0,0,1|0,0,0]=1 49 B9R1.13 C1C[C@@H](NC1)CC(=O)O HAA8450 [0,0,0,0,0,1|0,0,0]=1 50 B9R1.13 C1C[C@H](NC1)CC(=O)O HAA8560 [0,0,0,0,0,1|0,0,0]=1 51 B6R0.4 C(CC(=O)O)CN HAA1061 [1,0,1,0,0,0|0,0,0]=2 52 B6R0.6 C(CCN)CCO FAL1003 [1,0,1,0,0,0|0,0,1]=3 53 B6R0.3 C(C(C(=O)O)N)N HAA7960 [1,0,1,0,0,0|1,0,0]=3 54 B6R0.3 C([C@@H](C(=O)O)N)N HAA1081 [1,0,1,0,0,0|1,0,0]=3 55 B6R0.3 C([C@@H](C(=O)O)N)O HAA1129 [1,0,1,0,0,0|1,0,0]=3 56 B6R0.3 C([C@@H](C(=O)O)N)S HAA1080 [1,0,1,0,0,0|1,0,0]=3 57 B6R0.3 C([C@@H](C(=O)O)O)N HAA1900 [1,0,1,0,0,0|2,0,0]=4 58 B6R0.3 C([C@H](C(=O)O)N)N HAA1019 [1,0,1,0,0,0|1,0,0]=3 59 B6R0.3 C([C@H](C(=O)O)N)O HAA1051 [1,0,1,0,0,0|1,0,0]=3 60 B6R0.3 C([C@H](C(=O)O)N)S HAA1017 [1,0,1,0,0,0|1,0,0]=3 61 B6R0.3 CC[C@@H](C(=O)O)N HAA1247 [1,0,1,0,0,0|0,0,0]=2 62 B6R0.3 CC[C@H](C(=O)O)N HAA1006 [1,0,1,0,0,0|0,0,0]=2 63 B6R0.3 C[C@@H](C(=O)O)NC HAA1206 [1,0,1,0,0,0|0,0,0]=2 64 B6R0.3 C[C@H](C(=O)O)NC HAA1193 [1,0,1,0,0,0|0,0,0]=2 65 B8R0.5 C=CCC(CC(=O)O)N HAA2515 [0,1,1,0,0,0|1,0,1]=4 66 B8R0.5 C=CCC(CC(=O)O)N HAA2705 [0,1,1,0,0,0|1,0,1]=4 67 B8R0.5 C=CC[C@@H](CC(=O)O)N HAA8700 [0,1,1,0,0,0|1,0,1]=4 68 B8R0.5 C=CC[C@H](CC(=O)O)N HAA8690 [0,1,1,0,0,0|1,0,1]=4 69 B8R0.5 CCCC(CC(=O)O)N HAA2445 [0,1,1,0,0,0|1,0,0]=3 70 B8R0.5 CCCC(CC(=O)O)N HAA2635 [0,1,1,0,0,0|1,0,0]=3 71 B8R0.7 COCCOCC(=O)O PEG2020 [0,1,1,0,0,0|1,0,0]=3 72 B8R0.8 C(C[C@@H](C(=O)O)N)C#N HAA5700 [0,1,1,0,0,0|0,0,2]=4 73 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [0,1,1,0,0,0|0,0,0]=2 74 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [0,1,1,0,0,0|0,0,0]=2 75 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [0,1,1,0,0,0|1,0,0]=3 76 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [0,1,1,0,0,0|1,0,0]=3 77 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [0,1,1,0,0,0|2,0,0]=4 78 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [0,1,1,0,0,0|2,0,0]=4 79 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N HAA1515 [0,1,1,0,0,0|0,0,0]=2 80 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N HAA1029 [0,1,1,0,0,0|0,0,0]=2 81 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N HAA1093 [0,1,1,0,0,0|0,0,0]=2 82 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N HAA1186 [0,1,1,0,0,0|0,0,0]=2 83 B8R0.2 C[C@@H]([C@@H](C(=O)O)N)OC HAA1660 [0,1,1,0,0,0|1,0,0]=3 84 B8R0.2 C[C@H]([C@H](C(=O)O)N)OC HAA1665 [0,1,1,0,0,0|1,0,0]=3 85 B8R0.12 CCC[C@@](C)(C(=O)O)N HAA1635 [0,1,1,0,0,0|0,0,0]=2 86 B8R0.12 CCC[C@](C)(C(=O)O)N HAA1558 [0,1,1,0,0,0|0,0,0]=2 87 B8R0.12 C[C@@](CC#C)(C(=O)O)N HAA5500 [0,1,1,0,0,0|0,0,2]=4 88 B8R0.12 C[C@@](CC=C)(C(=O)O)N HAA5240 [0,1,1,0,0,0|0,0,2]=4 89 B8R0.12 C[C@](CC#C)(C(=O)O)N HAA5510 [0,1,1,0,0,0|0,0,2]=4 90 B8R0.12 C[C@](CC=C)(C(=O)O)N HAA5250 [0,1,1,0,0,0|0,0,2]=4 91 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N HAA1070 [0,1,1,0,0,0|1,0,1]=4 92 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O HAA1073 [0,1,1,0,0,0|1,0,1]=4 93 B8R0.23 C([C@H](C(=O)O)N)C(=O)N HAA1010 [0,1,1,0,0,0|1,0,1]=4 94 B8R0.23 C([C@H](C(=O)O)N)C(=O)O HAA1013 [0,1,1,0,0,0|1,0,1]=4 95 B8R0.23 CC(C)C[C@@H](C(=O)N)N HAA6780 [0,1,1,0,0,0|1,0,0]=3 96 B8R0.23 CC(C)C[C@@H](C(=O)O)N HAA1094 [0,1,1,0,0,0|0,0,0]=2 97 B8R0.23 CC(C)C[C@H](C(=O)N)N HAA6280 [0,1,1,0,0,0|1,0,0]=3 98 B8R0.23 CC(C)C[C@H](C(=O)O)N HAA1030 [0,1,1,0,0,0|0,0,0]=2 99 B8R0.23 CN(C)C[C@@H](C(=O)O)N HAA1690 [0,1,1,0,0,0|1,0,0]=3 100 B8R0.23 CN(C)C[C@H](C(=O)O)N HAA1695 [0,1,1,0,0,0|1,0,0]=3 101 B8R0.23 C[C@@H](C(=O)O)NC(=O)C AAA1911 [0,1,1,0,0,0|0,0,1]=3 102 B8R0.23 C[C@H](C(=O)O)NC(=O)C AAA1909 [0,1,1,0,0,0|0,0,1]=3 103 B8R0.18 CC(C)[C@@H](C(=O)O)NC HAA1222 [0,1,1,0,0,0|0,0,0]=2 104 B8R1.78 C1CC(C1)(C(=O)O)N HAA5170 [0,1,0,0,1,0|0,0,0]=2 105 B10R1.15 COC(=O)C1CCNCC1 HAA1611 [0,1,0,0,0,1|1,0,0]=3 106 B10R1.61 C1C=CC[C@@H]([C@@H]1C(=O)O)N HAA2425 [0,1,0,0,0,1|1,0,1]=4 107 B10R1.61 C1C=CC[C@H]([C@H]1C(=O)O)N HAA2615 [0,1,0,0,0,1|1,0,1]=4 108 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N HAA2415 [0,1,0,0,0,1|1,0,0]=3 109 B10R1.61 C1CC[C@H]([C@H](C1)C(=O)O)N HAA2605 [0,1,0,0,0,1|1,0,0]=3 110 B10R1.61 C1C[C@@H]([C@@H](C=C1)N)C(=O)O HAA2620 [0,1,0,0,0,1|1,0,1]=4 111 B10R1.61 C1C[C@H]([C@H](C=C1)N)C(=O)O HAA2430 [0,1,0,0,0,1|1,0,1]=4 112 B10R1.113 C1C[C@H](C[C@H](C1)N)C(=O)O HAA5220 [0,1,0,0,0,1|1,0,0]=3 113 B10R1.363 C1CCC(CC1)(C(=O)O)N HAA1554 [0,1,0,0,0,1|1,0,0]=3 114 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N HAA1076 [0,1,0,0,0,1|1,0,0]=3 115 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N HAA1016 [0,1,0,0,0,1|1,0,0]=3 116 B10R1.370 C1CCC(C1)(CC(=O)O)N HAA2395 [0,1,0,0,0,1|1,0,0]=3 117 B10R1.370 C1CCC(C1)(CC(=O)O)N HAA2585 [0,1,0,0,0,1|1,0,0]=3 118 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 HAA7190 [0,2,0,0,0,0|0,0,1]=3 119 B10R1.14 COC(=O)[C@@H]1C[C@H](CN1)O HAA1091 [0,2,0,0,0,0|0,0,0]=2 120 B10R1.128 C[C@@]1(CCC[C@H]1C(=O)O)N HAA2595 [0,2,0,0,0,0|1,0,0]=3 121 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N HAA2405 [0,2,0,0,0,0|1,0,0]=3 122 B10R1.18 C1CNCCC1CC(=O)O RL-1048 [0,0,0,0,0,2|1,0,0]=3