0 B6R0.2 CC(C)=CC(=O)O BBP04714 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(C)CC(N)=O T0361 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 CC(O)CC(=O)O T4947 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(C)=CCO T4747 [1,0,0,0,0,0|0,0,2]=3 4 B5R0.1 CCCC(=O)O T3943 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.2 COC(=O)CC(C)=O T4851 [0,1,0,0,0,0|1,0,1]=3 6 B7R0.9 CC(=O)CC(C)(C)N BBP01274 [0,1,0,0,0,0|0,0,2]=3 7 B7R0.9 CC(C)(O)CC(=O)O T0613 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.9 C[N+](C)(C)CC(=O)O T0019 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.9 C[N+](C)(C)CC(=O)[O-] T3243 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.16 CC(C)[C@H](N)C(=O)O T2O2776 [0,1,0,0,0,0|1,0,2]=4 11 B7R1.2 O=C1CCC(O)N1 BBP01947 [0,0,0,1,0,0|2,0,1]=4 12 B5R0.5 CC(=O)C(=O)O T4804 [0,0,0,0,1,0|2,0,0]=3 13 B5R0.5 CC(=O)C(C)=O T4774 [0,0,0,0,1,0|1,0,0]=2 14 B5R0.5 CC(C)C(=O)O T4769 [0,0,0,0,1,0|1,0,1]=3 15 B5R0.5 C[C@@H](N)C(=O)O T4811 [0,0,0,0,1,0|2,0,1]=4 16 B5R0.5 C[C@H](N)C(=O)O TJO2729 [0,0,0,0,1,0|2,0,1]=4 17 B5R0.5 C[C@H](O)C(=O)O T4845 [0,0,0,0,1,0|2,0,1]=4 18 B5R0.5 O=C(O)C(=O)O T2O2680 [0,0,0,0,1,0|3,0,0]=4 19 B5R0.5 O=C(O)C(=O)O T5064 [0,0,0,0,1,0|3,0,0]=4 20 B7R0.6 CC(=O)NCC(=O)O T4822 [0,0,0,0,0,1|2,0,1]=4 21 B7R0.6 O=C(O)\C=C/C(=O)O T4913 [0,0,0,0,0,1|3,0,0]=4 22 B7R0.6 O=C(O)\C=C\C(=O)O BBP00430 [0,0,0,0,0,1|3,0,0]=4 23 B7R0.6 O=C(O)\C=C\C(=O)O T3763 [0,0,0,0,0,1|3,0,0]=4 24 B4R0.1 CCC(=O)O T4908 [2,0,0,0,0,0|1,0,1]=4 25 B4R0.1 O=CC(=O)O T4843 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.3 CCC(=O)C(=O)O T5060 [1,1,0,0,0,0|1,0,1]=4 27 B6R0.3 C\C=C(\C)C(=O)O T3328 [1,1,0,0,0,0|1,0,0]=3 28 B6R0.7 CC(C)(N)C(=O)O T4831 [0,1,0,0,1,0|1,0,1]=4 29 B6R0.7 CC(C)(O)C(=O)O T4787 [0,1,0,0,1,0|1,0,1]=4 30 B8R0.9 COC(=O)CCC(C)=O BBP00556 [0,1,0,0,0,1|1,0,1]=4 31 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,1,0,0,0,1|1,0,1]=4 32 B6R1.2 O=C1CCCC1 T4800 [1,0,0,1,0,0|0,0,2]=4 33 B8R1.3 Cc1cnc(C)cn1 T4801 [0,0,0,1,0,1|1,0,1]=4 34 B8R1.1 COC1CCC(=O)N1 BBP00214 [0,1,0,1,0,0|1,0,1]=4 35 B8R1.1 O=C1CC[C@H](CO)C1 BBP00686 [0,1,0,1,0,0|0,0,2]=4 36 B8R1.4 O=C1CCNC(=O)N1 T4886 [0,1,0,1,0,0|2,0,0]=4 37 B8R1.18 CN1CC(=O)N=C1N T0496 [0,1,0,1,0,0|2,0,0]=4