0 B6R0.4 C(CC(=O)O)CN HAA1061 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 C(CN)C(=O)N HAA5550 [1,0,0,0,0,0|2,0,0]=3 2 B5R0.1 C(CN)C(=O)O HAA1003 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.1 C(CS)C(=O)O RL-1000 [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 CNCC(=O)N HAA1581 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CNCC(=O)O HAA1192 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.2 C([C@@H](CO)N)C(=O)O HAA8460 [0,1,0,0,0,0|3,0,0]=4 7 B7R0.2 C([C@H](CO)N)C(=O)O HAA8570 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.5 C(CO)[C@@H](C(=O)O)N HAA1090 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.5 C(CO)[C@H](C(=O)O)N HAA1028 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.6 CC(=O)NCC(=O)O AAA1915 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.8 CC(C)(C)OCCN FAL1021 [0,1,0,0,0,0|2,0,1]=4 19 B4R0.1 C(C(=O)N)N HAA6570 [2,0,0,0,0,0|2,0,0]=4 20 B4R0.2 CCOCC SOL-005 [2,0,0,0,0,0|0,0,1]=3 21 B4R0.2 COCCBr S-30131 [2,0,0,0,0,0|1,0,0]=3 22 B4R0.2 COCCBr S-30901 [2,0,0,0,0,0|1,0,0]=3 23 B4R0.2 COCCN HL12132 [2,0,0,0,0,0|1,0,0]=3 24 B4R0.2 COCCN HL12902 [2,0,0,0,0,0|1,0,0]=3 25 B4R0.2 COCCO S-30130 [2,0,0,0,0,0|1,0,0]=3 26 B4R0.2 COCCO S-30900 [2,0,0,0,0,0|1,0,0]=3 27 B4R0.2 COCCS HL12134 [2,0,0,0,0,0|1,0,0]=3 28 B4R0.2 COCCS HL12904 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.1 CCOC(=O)CN HAA6590 [1,1,0,0,0,0|0,0,0]=2 30 B6R0.1 CNCC(=O)OC HAA7240 [1,1,0,0,0,0|1,0,0]=3 31 B6R0.1 COC(=O)CCN HAA5560 [1,1,0,0,0,0|1,0,0]=3 32 B6R0.2 *[C@@H](C)CC(=O)* EZK9050 [1,1,0,0,0,0|1,0,0]=3 33 B6R0.2 C[C@@H](CC(=O)O)N HAA8470 [1,1,0,0,0,0|1,0,0]=3 34 B6R0.2 C[C@H](CC(=O)O)N HAA8430 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.3 C(C(C(=O)O)N)N HAA7960 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.3 C([C@@H](C(=O)O)N)N HAA1081 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.3 C([C@@H](C(=O)O)N)O HAA1129 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.3 C([C@@H](C(=O)O)N)S HAA1080 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.3 C([C@@H](C(=O)O)O)N HAA1900 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.3 C([C@H](C(=O)O)N)N HAA1019 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.3 C([C@H](C(=O)O)N)O HAA1051 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.3 C([C@H](C(=O)O)N)S HAA1017 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.3 CC[C@@H](C(=O)O)N HAA1247 [1,1,0,0,0,0|1,0,0]=3 44 B6R0.3 CC[C@H](C(=O)O)N HAA1006 [1,1,0,0,0,0|1,0,0]=3 45 B6R0.3 C[C@@H](C(=O)O)NC HAA1206 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.3 C[C@H](C(=O)O)NC HAA1193 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.6 C(COCCS)O PEG5450 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.6 C(COCCS)O PEG5460 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.6 C(COCCS)O PEG5470 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N HAA1515 [0,2,0,0,0,0|2,0,0]=4 51 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N HAA1029 [0,2,0,0,0,0|2,0,0]=4 52 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N HAA1093 [0,2,0,0,0,0|2,0,0]=4 53 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N HAA1186 [0,2,0,0,0,0|2,0,0]=4 54 B8R0.5 CCCC(CC(=O)O)N HAA2445 [0,2,0,0,0,0|2,0,0]=4 55 B8R0.5 CCCC(CC(=O)O)N HAA2635 [0,2,0,0,0,0|2,0,0]=4 56 B8R0.23 CC(C)C(CC(=O)O)N HAA2470 [0,2,0,0,0,0|2,0,0]=4 57 B8R0.23 CC(C)C(CC(=O)O)N HAA2660 [0,2,0,0,0,0|2,0,0]=4 58 B8R0.23 CC(C)C[C@@H](C(=O)N)N HAA6780 [0,2,0,0,0,0|2,0,0]=4 59 B8R0.23 CC(C)C[C@@H](C(=O)O)N HAA1094 [0,2,0,0,0,0|2,0,0]=4 60 B8R0.23 CC(C)C[C@H](C(=O)N)N HAA6280 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.23 CC(C)C[C@H](C(=O)O)N HAA1030 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.23 CC(C)[C@@H](CC(=O)O)N HAA8610 [0,2,0,0,0,0|2,0,0]=4 63 B8R0.23 CC(C)[C@H](CC(=O)O)N HAA8680 [0,2,0,0,0,0|2,0,0]=4 64 B8R0.23 C[C@@H]([C@H](CC(=O)O)N)O HAA8580 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [0,2,0,0,0,0|2,0,0]=4 66 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [0,2,0,0,0,0|2,0,0]=4 67 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [0,2,0,0,0,0|2,0,0]=4 68 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.8 CSCC[C@@H](C(=O)N)N HAA6930 [0,2,0,0,0,0|2,0,0]=4 70 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [0,2,0,0,0,0|2,0,0]=4 71 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [0,2,0,0,0,0|2,0,0]=4 72 B8R0.7 COCCOCC(=O)O PEG2020 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.21 CC(C)(C)OCCCN FAL1023 [0,2,0,0,0,0|1,0,1]=4 74 B8R0.28 CC(=O)NCCC(=O)N AAA1906 [0,2,0,0,0,0|1,0,1]=4 75 B8R0.28 CC(=O)NCCC(=O)O AAA1907 [0,2,0,0,0,0|1,0,1]=4 76 B8R0.12 CCC[C@@](C)(C(=O)O)N HAA1635 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.12 CCC[C@](C)(C(=O)O)N HAA1558 [0,2,0,0,0,0|2,0,0]=4 78 B6R1.1 C1CCNCC1 SOL-010 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.7 C1C[C@@H](NC1)C(=O)N HAA1047 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.7 C1C[C@@H](NC1)C(=O)O HAA1048 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.7 C1C[C@H](NC1)C(=O)N HAA7160 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.7 C1C[C@H](NC1)C(=O)O HAA1126 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.78 C1CC(C1)(C(=O)O)N HAA5170 [0,1,0,1,0,0|2,0,0]=4