0 B9R0.7 CN(C)C(=S)SCC(=O)O T70881 [0,0,0,0,0,0|3,1,0]=4 1 B9R0.7 C[C@H](N)C(=O)NCC(=O)O T70131 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.9 CCC(=O)CCC(=O)O D93322 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.9 COC(=O)CCC(=O)O 73736 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.9 COC(=O)NCC(=O)O S10575 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.9 NCC(=O)CCC(=O)O 22878 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.9 NCC(=O)NCC(=O)O F17229 [1,0,0,0,0,0|1,0,2]=4 7 B8R0.9 O=C(O)CNC(=O)CCl FD21633 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.28 CC(C)COCC(=O)O D79193 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O D86848 [0,1,0,0,0,0|1,0,2]=4 10 B10R0.93 C[C@H](NC(=O)[C@@H](C)N)C(=O)O E70375 [0,1,0,0,0,0|1,0,2]=4 11 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 S10220 [0,0,0,1,0,0|1,0,2]=4 12 B8R0.23 CC(=O)CC(=O)C(C)C 76315 [0,0,0,0,1,0|2,0,1]=4 13 B8R0.23 CC(C)[C@@H](N)CC(=O)O 28879 [0,0,0,0,1,0|2,0,1]=4 14 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62352 [0,0,0,0,1,0|2,0,1]=4 15 B8R0.23 CC(C)[C@@H](N)CC(=O)O 62354 [0,0,0,0,1,0|2,0,1]=4 16 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O 25533 [0,0,0,0,1,0|1,1,1]=4 17 B10R0.96 CC(C)CC(=O)NCC(=O)O S10569 [0,0,0,0,0,1|1,0,2]=4 18 B7R0.4 CC\C=C\CC(=O)O D82088 [2,0,0,0,0,0|1,0,0]=3 19 B7R0.6 C=C(C)CCC(=O)O 80208 [2,0,0,0,0,0|2,0,0]=4 20 B7R0.6 CC(=O)CCC(=O)O D70802 [2,0,0,0,0,0|1,0,1]=4 21 B7R0.6 CC(=O)NCC(=O)O AC8343 [2,0,0,0,0,0|0,0,2]=4 22 B7R0.6 CC(=O)OCC(=O)O D81772 [2,0,0,0,0,0|1,0,1]=4 23 B7R0.6 CC(=O)SCC(=O)O H12044 [2,0,0,0,0,0|1,0,1]=4 24 B7R0.6 O=C(O)CCC(=O)O AB7710 [2,0,0,0,0,0|1,1,0]=4 25 B7R0.6 O=C(O)CCC(=O)O D80729 [2,0,0,0,0,0|1,1,0]=4 26 B9R0.24 CCC(=O)CCC(=O)OC D92982 [1,1,0,0,0,0|1,0,1]=4 27 B9R0.48 CCOC(=O)CCC(=O)O O11227 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.2 CCC(=O)CC(C)=O 24687 [1,0,0,0,1,0|1,0,1]=4 29 B7R0.2 CCN(C)CC(=O)O D97398 [1,0,0,0,1,0|2,0,0]=4 30 B7R0.2 CC[C@H](C)CC(=O)O 63956 [1,0,0,0,1,0|1,0,1]=4 31 B7R0.2 CC[C@H](C)CC(=O)O 63972 [1,0,0,0,1,0|1,0,1]=4 32 B7R0.2 CC[C@H](N)CC(=O)O 52001 [1,0,0,0,1,0|1,0,1]=4 33 B7R0.2 CC[C@H](N)CC(=O)O 52002 [1,0,0,0,1,0|1,0,1]=4 34 B7R0.2 CC[C@H](N)CC(=O)O Y10914 [1,0,0,0,1,0|1,0,1]=4 35 B7R0.2 CC[C@H](N)CC(=O)O Y11199 [1,0,0,0,1,0|1,0,1]=4 36 B7R0.2 COC(=O)CC(=O)O 36101 [1,0,0,0,1,0|1,0,1]=4 37 B7R0.2 NC[C@@H](O)CC(=O)O 52129 [1,0,0,0,1,0|1,0,1]=4 38 B7R0.2 NC[C@@H](O)CC(=O)O 52130 [1,0,0,0,1,0|1,0,1]=4 39 B7R0.2 NC[C@@H](O)CC(=O)O AB3028 [1,0,0,0,1,0|1,0,1]=4 40 B7R0.16 CC(C)C(=O)C(=O)O 31009 [0,0,0,0,2,0|1,0,1]=4 41 B7R0.16 CC(C)[C@H](O)C(=O)O C10550 [0,0,0,0,2,0|1,0,1]=4 42 B7R0.16 CC(C)[C@H](O)C(=O)O F19720 [0,0,0,0,2,0|1,0,1]=4 43 B7R0.16 CC(C)[C@H](O)C(=O)O S12088 [0,0,0,0,2,0|1,0,1]=4