0 B6R0.3 CC(CN)C(=O)O T4887 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 CCC(=O)C(=O)O T5060 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.3 CCC(O)C(=O)[O-] T4738 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.3 C\C=C(\C)C(=O)O T3328 [0,0,0,0,0,0|0,0,0]=0 4 B6R0.3 NCC(N)C(=O)O T4755 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 CCCC(=O)O T3943 [1,0,0,0,0,0|0,0,2]=3 8 B5R0.1 NCCC(=O)O T0627 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.3 CCC(C)C=O T5090 [1,0,0,0,0,0|0,0,2]=3 10 B5R0.5 CC(=O)C(=O)O T4804 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.5 CC(=O)C(C)=O T4774 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.5 CC(C)C(=O)O T4769 [1,0,0,0,0,0|0,0,1]=2 13 B5R0.5 C[C@@H](N)C(=O)O T4811 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.5 C[C@H](N)C(=O)O TJO2729 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.5 C[C@H](O)C(=O)O T4845 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.5 O=C(O)C(=O)O T2O2680 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.5 O=C(O)C(=O)O T5064 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.5 CCC[C@H](N)C(=O)O T4788 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.5 NC(CCS)C(=O)O T4863 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [0,1,0,0,0,0|1,0,2]=4 21 B7R0.16 CC(C(=O)O)C(=O)O T4817 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.16 CC(C)[C@H](N)C(=O)O T2O2776 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O T2O2777 [0,1,0,0,0,0|1,0,2]=4 24 B7R1.19 NC1(C(=O)O)CC1 T4752 [0,0,0,1,0,0|1,0,2]=4 25 B7R0.2 COC(=O)CC(C)=O T4851 [0,0,0,0,0,1|3,0,0]=4 26 B4R0.1 CCC(=O)O T4908 [2,0,0,0,0,0|0,0,1]=3 27 B4R0.1 NCC(=O)O T2O2728 [2,0,0,0,0,0|1,0,1]=4 28 B4R0.1 O=CC(=O)O T4843 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.2 CC(C)=CC(=O)O BBP04714 [1,1,0,0,0,0|0,0,0]=2 30 B6R0.2 CC(O)CC(=O)O T4947 [1,1,0,0,0,0|0,0,2]=4 31 B6R0.4 CCCCC(=O)O T4792 [1,1,0,0,0,0|0,0,2]=4 32 B6R0.4 NCCCC(=O)O T0508 [1,1,0,0,0,0|0,0,2]=4 33 B6R0.7 CC(C)(N)C(=O)O T4831 [1,1,0,0,0,0|0,0,1]=3 34 B6R0.7 CC(C)(O)C(=O)O T4787 [1,1,0,0,0,0|0,0,1]=3 35 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O T0063 [0,1,0,0,0,1|0,0,2]=4 36 B8R0.5 CCOC(=O)CC(=O)O T4773 [0,1,0,0,0,1|1,0,1]=4 37 B8R0.23 C=C(CC(=O)O)C(=O)O T4837 [0,1,0,0,0,1|1,0,1]=4 38 B8R0.23 CN(CC(=O)O)C(=N)N T4883 [0,1,0,0,0,1|2,0,0]=4 39 B8R0.23 O=C(O)CC(=O)C(=O)O T4862 [0,1,0,0,0,1|2,0,0]=4 40 B8R1.7 O=C(O)C1=CC=CO1 BBP02308 [0,1,0,1,0,0|0,0,2]=4 41 B8R1.7 O=C(O)C1=COC=C1 BBP04181 [0,1,0,1,0,0|0,0,2]=4 42 B8R1.7 O=C(O)[C@@H]1CCCN1 BBP00795 [0,1,0,1,0,0|0,0,2]=4 43 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [0,1,0,1,0,0|0,0,2]=4