0 B7R0.6 CC(=O)CCC(=O)C ACT02799 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 CC(=O)NCC(=O)O ACT08307 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 CN(C)CCC(=O)O ACT09593 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.4 C(CC(=O)O)CN ACT11886 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.4 C(C[N+](=O)[O-])CO ACT03952 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.4 CC(=O)CCCO ACT07203 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.9 C(C(=O)NCC(=O)O)N ACT05216 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ACT11890 [0,1,0,0,0,0|1,0,0]=2 8 B8R0.23 C([C@H](C(=O)O)N)C(=O)O ACT03145 [0,1,0,0,0,0|0,0,0]=1 9 B8R0.23 CC(C(=O)O)NC(=O)C ACT11766 [0,1,0,0,0,0|2,0,0]=3 10 B8R0.23 CC(C)[C@H](CC(=O)O)N ACT09686 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.23 C[C@@H](C(=O)O)NC(=O)C ACT00056 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.23 C[C@@H](CC(=O)O)C(=O)O ACT09257 [0,1,0,0,0,0|0,0,0]=1 13 B8R1.3 C1CC(=O)NCC1O ACT09193 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.3 C1CC(=O)NC[C@H]1O ACT09390 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.23 C1C(CC1=O)C(=O)O ACT02726 [0,0,0,1,0,0|1,0,0]=2 16 B6R0.2 C[C@@H](CC(=O)O)N ACT02393 [0,0,0,0,1,0|2,0,1]=4 17 B6R0.2 C[C@@H](CC(=O)O)N ACT09644 [0,0,0,0,1,0|2,0,1]=4 18 B6R0.2 C[C@H](CC(=O)O)N ACT05190 [0,0,0,0,1,0|2,0,1]=4 19 B8R0.28 CC(=O)NCCC(=O)O ACT09512 [0,0,0,0,0,1|1,0,0]=2 20 B8R0.28 CN(C)CCCC(=O)O ACT10895 [0,0,0,0,0,1|3,0,0]=4 21 B5R0.1 C(CN)C(=O)N ACT05141 [2,0,0,0,0,0|2,0,0]=4 22 B5R0.1 C(CN)C(=O)O ACT04890 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.1 CNCC(=O)O ACT04970 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.2 C=CCCC=C ACT05312 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.2 C=CCCCO ACT03061 [2,0,0,0,0,0|1,0,1]=4 26 B7R0.2 C([C@H](CN)O)C(=O)O ACT10094 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.2 CC[C@H](C)CC(=O)O ACT09115 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.3 COC(=O)CCC=O ACT08469 [1,1,0,0,0,0|0,0,0]=2 29 B7R0.3 COC(=O)CCSC ACT06346 [1,1,0,0,0,0|2,0,0]=4 30 B7R0.4 C(CCN)CC(=O)O ACT10888 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.5 C(CBr)C(C(=O)O)Br ACT09951 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.5 C(CN)C(C(=O)O)O ACT11882 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.5 C(CN)[C@@H](C(=O)O)O ACT02354 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.5 C=CC[C@@H](C(=O)O)N ACT02836 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N ACT11917 [0,1,0,0,0,1|1,0,0]=3 36 B9R0.7 C(CC(=O)O)[C@H](C(=O)O)N ACT08602 [0,1,0,0,0,1|0,0,0]=2 37 B9R0.53 C(C(=O)CC(=O)O)C(=O)O ACT11652 [0,1,0,0,0,1|0,0,0]=2 38 B9R0.24 COC(=O)C#CC(=O)OC ACT08933 [0,2,0,0,0,0|0,0,2]=4 39 B9R0.48 CCOC(=O)CNC(=O)C ACT05046 [0,2,0,0,0,0|2,0,0]=4 40 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O ACT10990 [0,2,0,0,0,0|0,0,0]=2 41 B9R0.79 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O ACT11897 [0,2,0,0,0,0|0,0,0]=2 42 B7R1.2 C1C(=O)NC(=O)S1 ACT04253 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.2 C1CC(=O)OC1=O ACT11409 [1,0,0,1,0,0|0,0,0]=2 44 B7R1.18 C1CN[C@@H]1C(=O)O ACT01799 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.35 C1C(N=C(S1)N)C(=O)O ACT05555 [0,0,0,1,0,1|2,0,0]=4 46 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O ACT09037 [0,0,0,1,0,1|1,0,0]=3 47 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O ACT02236 [0,0,0,1,0,1|1,0,1]=4 48 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O ACT08225 [0,0,0,1,0,1|1,0,1]=4 49 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O ACT02252 [0,0,0,1,0,1|1,0,1]=4 50 B5R0.5 CC(=O)C(=O)C ACT06100 [0,0,0,0,2,0|2,0,0]=4 51 B9R0.55 C(CCC(=O)O)CC(=O)O ACT11881 [0,0,0,0,0,2|0,0,0]=2