0 B4R0.1 C(C(=O)N)N HAA6570 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 CN(C)C=O SOL-004 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C[C@@H](CN)O FAL1033 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.1 C[C@H](CO)N FAL1004 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.1 C#CCN PEG2755 [1,0,0,0,0,0|0,0,2]=3 5 B3R0.1 C(CO)N HAL1020 [1,0,0,0,0,0|1,0,0]=2 6 B3R0.1 C(CS)N HAL1551 [1,0,0,0,0,0|1,0,0]=2 7 B3R0.1 C(CS)S RL-1097 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 C(CN)C(=O)N HAA5550 [0,1,0,0,0,0|2,0,1]=4 9 B5R0.1 C(CN)C(=O)O HAA1003 [0,1,0,0,0,0|2,0,1]=4 10 B5R0.1 CNCC(=O)N HAA1581 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.1 CNCC(=O)O HAA1192 [0,1,0,0,0,0|2,0,1]=4 12 B5R0.3 CNC(=O)CN HAA6580 [0,1,0,0,0,0|1,0,1]=3 13 B5R0.3 COC(=O)CN HAA5530 [0,1,0,0,0,0|1,0,1]=3 14 B5R0.4 C(C(F)(F)F)O SOL-015 [0,1,0,0,0,0|3,0,0]=4 15 B5R0.5 *[C@H](N)C(=O)O EZK9040 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.5 C[C@@H](C(=O)N)N HAA5610 [0,1,0,0,0,0|1,0,1]=3 17 B5R0.5 C[C@@H](C(=O)O)N HAA1066 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.5 C[C@H](C(=O)N)N HAA5520 [0,1,0,0,0,0|1,0,1]=3 19 B5R0.5 C[C@H](C(=O)O)N HAA1007 [0,1,0,0,0,0|2,0,1]=4 20 B2R0.1 C(Cl)Cl SOL-002 [2,0,0,0,0,0|2,0,0]=4 21 B2R0.1 CC#N SOL-013 [2,0,0,0,0,0|0,0,2]=4 22 B2R0.1 CSC RL-1098 [2,0,0,0,0,0|1,0,0]=3 23 B4R0.2 CCOCC SOL-005 [1,1,0,0,0,0|1,0,0]=3 24 B4R0.2 COCCBr S-30131 [1,1,0,0,0,0|1,0,0]=3 25 B4R0.2 COCCBr S-30901 [1,1,0,0,0,0|1,0,0]=3 26 B4R0.2 COCCN HL12132 [1,1,0,0,0,0|0,0,0]=2 27 B4R0.2 COCCN HL12902 [1,1,0,0,0,0|0,0,0]=2 28 B4R0.2 COCCO S-30130 [1,1,0,0,0,0|1,0,0]=3 29 B4R0.2 COCCO S-30900 [1,1,0,0,0,0|1,0,0]=3 30 B4R0.2 COCCS HL12134 [1,1,0,0,0,0|1,0,0]=3 31 B4R0.2 COCCS HL12904 [1,1,0,0,0,0|1,0,0]=3 32 B6R0.1 CCOC(=O)CN HAA6590 [0,2,0,0,0,0|1,0,1]=4 33 B6R0.1 CNCC(=O)OC HAA7240 [0,2,0,0,0,0|1,0,1]=4 34 B6R0.1 COC(=O)CCN HAA5560 [0,2,0,0,0,0|1,0,1]=4 35 B6R0.2 *[C@@H](C)CC(=O)* EZK9050 [0,2,0,0,0,0|2,0,0]=4 36 B6R0.2 C[C@@H](CC(=O)O)N HAA8470 [0,2,0,0,0,0|2,0,0]=4 37 B6R0.2 C[C@H](CC(=O)O)N HAA8430 [0,2,0,0,0,0|2,0,0]=4 38 B6R0.3 C(C(C(=O)O)N)N HAA7960 [0,2,0,0,0,0|1,0,1]=4 39 B6R0.3 C([C@@H](C(=O)O)N)N HAA1081 [0,2,0,0,0,0|1,0,1]=4 40 B6R0.3 C([C@@H](C(=O)O)O)N HAA1900 [0,2,0,0,0,0|1,0,1]=4 41 B6R0.3 C([C@H](C(=O)O)N)N HAA1019 [0,2,0,0,0,0|1,0,1]=4 42 B6R0.3 CC(C)[C@@H](CO)N FAL1018 [0,2,0,0,0,0|0,0,0]=2 43 B6R0.3 C[C@@H](C(=O)O)NC HAA1206 [0,2,0,0,0,0|1,0,1]=4 44 B6R0.3 C[C@@H](C(=O)OC)N HAA1067 [0,2,0,0,0,0|1,0,1]=4 45 B6R0.3 C[C@H](C(=O)O)NC HAA1193 [0,2,0,0,0,0|1,0,1]=4 46 B6R0.3 C[C@H](C(=O)OC)N HAA5580 [0,2,0,0,0,0|1,0,1]=4 47 B6R0.3 C[C@H]([C@@H](CO)N)O FAL1016 [0,2,0,0,0,0|1,0,0]=3 48 B6R0.7 CC(C)(C(=O)O)N HAA1511 [0,2,0,0,0,0|1,0,1]=4