0 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N HAA1083 [0,1,0,0,0,0|2,0,0]=3 1 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N HAA1021 [0,1,0,0,0,0|2,0,0]=3 2 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N HAA1087 [0,1,0,0,0,0|1,0,0]=2 3 B9R0.7 C([C@@H](C(=O)O)N)NC(=O)N HAA8150 [0,1,0,0,0,0|3,0,0]=4 4 B9R0.7 CS(=O)CCC(C(=O)O)N HAA8160 [0,1,0,0,0,0|3,0,0]=4 5 B9R0.23 CC[C@@H](C)[C@@H](CC(=O)O)N HAA8650 [0,1,0,0,0,0|1,0,2]=4 6 B9R0.23 CC[C@H](C)[C@H](CC(=O)O)N HAA8510 [0,1,0,0,0,0|1,0,2]=4 7 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O HAA1172 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O HAA1169 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O HAA1159 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O HAA1171 [0,0,0,1,0,0|2,0,1]=4 11 B7R0.2 C([C@@H](CO)N)C(=O)O HAA8460 [0,0,0,0,1,0|1,0,1]=3 12 B7R0.2 C([C@H](CO)N)C(=O)O HAA8570 [0,0,0,0,1,0|1,0,1]=3 13 B7R0.2 C=CC(CC(=O)O)N HAA2510 [0,0,0,0,1,0|0,0,0]=1 14 B7R0.2 C=CC(CC(=O)O)N HAA2700 [0,0,0,0,1,0|0,0,0]=1 15 B6R0.4 C(CC(=O)O)CN HAA1061 [2,0,0,0,0,0|0,0,0]=2 16 B8R0.5 C=CCC(CC(=O)O)N HAA2515 [1,1,0,0,0,0|0,0,0]=2 17 B8R0.5 C=CCC(CC(=O)O)N HAA2705 [1,1,0,0,0,0|0,0,0]=2 18 B8R0.5 C=CC[C@@H](CC(=O)O)N HAA8700 [1,1,0,0,0,0|0,0,0]=2 19 B8R0.5 C=CC[C@H](CC(=O)O)N HAA8690 [1,1,0,0,0,0|0,0,0]=2 20 B8R0.5 CCCC(CC(=O)O)N HAA2445 [1,1,0,0,0,0|0,0,2]=4 21 B8R0.5 CCCC(CC(=O)O)N HAA2635 [1,1,0,0,0,0|0,0,2]=4 22 B8R0.7 COCCOCC(=O)O PEG2020 [1,1,0,0,0,0|1,0,1]=4 23 B8R0.28 CC(=O)NCCC(=O)O AAA1907 [1,1,0,0,0,0|1,0,1]=4 24 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N HAA1070 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.23 C([C@H](C(=O)O)N)C(=O)N HAA1010 [1,1,0,0,0,0|1,0,1]=4 26 B8R0.23 CC(C)C(CC(=O)O)N HAA2470 [1,1,0,0,0,0|1,0,1]=4 27 B8R0.23 CC(C)C(CC(=O)O)N HAA2660 [1,1,0,0,0,0|1,0,1]=4 28 B8R0.23 CC(C)C[C@@H](C(=O)O)N HAA1094 [1,1,0,0,0,0|1,0,1]=4 29 B8R0.23 CC(C)C[C@H](C(=O)O)N HAA1030 [1,1,0,0,0,0|1,0,1]=4 30 B8R0.23 CC(C)[C@@H](CC(=O)O)N HAA8610 [1,1,0,0,0,0|1,0,1]=4 31 B8R0.23 CC(C)[C@H](CC(=O)O)N HAA8680 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.23 C[C@@H]([C@H](CC(=O)O)N)O HAA8580 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.34 CC(CC(=O)O)(C=C)N HAA2520 [0,1,0,0,1,0|0,0,0]=2 34 B8R0.34 CC(CC(=O)O)(C=C)N HAA2710 [0,1,0,0,1,0|0,0,0]=2 35 B8R0.34 CC(CC(=O)O)(CCl)N HAA2475 [0,1,0,0,1,0|1,0,1]=4 36 B8R0.34 CC(CC(=O)O)(CCl)N HAA2665 [0,1,0,0,1,0|1,0,1]=4 37 B10R0.98 C(C[C@@H](C(=O)O)N)CC(=O)O HAA1089 [0,1,0,0,0,1|1,0,0]=3 38 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)O HAA1077 [0,1,0,0,0,1|1,0,0]=3 39 B10R0.98 CC(=O)NCC[C@@H](C(=O)O)N HAA1985 [0,1,0,0,0,1|2,0,0]=4 40 B10R0.96 C(CC(=O)N)[C@@H](CC(=O)O)N HAA8490 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.96 C(CC(=O)N)[C@H](CC(=O)O)N HAA8630 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.96 C(CC(=O)O)[C@@H](CC(=O)O)N HAA8500 [0,2,0,0,0,0|0,0,1]=3 43 B10R0.96 C(CC(=O)O)[C@H](CC(=O)O)N HAA8640 [0,2,0,0,0,0|0,0,1]=3 44 B8R1.7 C1C=C[C@H](N1)C(=O)O HAA6180 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.7 C1C[C@@H](NC1)C(=O)O HAA1048 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.7 C1C[C@H](NC1)C(=O)O HAA1126 [1,0,0,1,0,0|1,0,1]=4 47 B10R1.113 C1C[C@H](C[C@H](C1)N)C(=O)O HAA5220 [0,1,0,1,0,0|0,0,2]=4 48 B6R0.2 C[C@@H](CC(=O)O)N HAA8470 [1,0,0,0,1,0|0,0,1]=3 49 B6R0.2 C[C@H](CC(=O)O)N HAA8430 [1,0,0,0,1,0|0,0,1]=3 50 B6R0.3 C(C(C(=O)O)N)N HAA7960 [0,0,0,0,2,0|1,0,1]=4 51 B6R0.3 C([C@@H](C(=O)O)N)N HAA1081 [0,0,0,0,2,0|1,0,1]=4 52 B6R0.3 C([C@@H](C(=O)O)N)O HAA1129 [0,0,0,0,2,0|1,0,1]=4 53 B6R0.3 C([C@@H](C(=O)O)N)S HAA1080 [0,0,0,0,2,0|1,0,1]=4 54 B6R0.3 C([C@H](C(=O)O)N)N HAA1019 [0,0,0,0,2,0|1,0,1]=4 55 B6R0.3 C([C@H](C(=O)O)N)O HAA1051 [0,0,0,0,2,0|1,0,1]=4 56 B6R0.3 C([C@H](C(=O)O)N)S HAA1017 [0,0,0,0,2,0|1,0,1]=4 57 B6R0.3 CC[C@@H](C(=O)O)N HAA1247 [0,0,0,0,2,0|0,0,2]=4 58 B6R0.3 CC[C@H](C(=O)O)N HAA1006 [0,0,0,0,2,0|0,0,2]=4