0 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SC-09273 [1,0,0,0,0,0|0,0,0]=1 1 B8R0.23 CC(=O)O[C@@H](C)C(N)=S SC-53477 [1,0,0,0,0,0|2,1,0]=4 2 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-05405 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.23 NC(=O)NC(O)C(=O)O SC-49973 [1,0,0,0,0,0|1,1,0]=3 4 B8R0.23 O=C(O)CC(O)C(=O)O SC-19305 [1,0,0,0,0,0|2,1,0]=4 5 B8R0.23 O=C(O)CC(O)C(=O)O SC-43909 [1,0,0,0,0,0|2,1,0]=4 6 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O SC-04187 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SC-26843 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.23 [C@@H](C)(OC(C)=O)C(=O)O SC-08840 [1,0,0,0,0,0|1,0,0]=2 9 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C SC-09987 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.59 NC1CS(=O)CC1C(=O)O SC-29867 [0,0,0,1,0,0|3,0,0]=4 11 B10R1.64 CC(=O)NC1CCSC1=O SC-75542 [0,0,0,1,0,0|1,1,0]=3 12 B8R0.18 CC(C)[C@@H](CN)C(=O)O SC-A1204 [0,0,0,0,1,0|2,0,1]=4 13 B8R0.18 CCC(C(=O)O)C(=O)O SC-18419 [0,0,0,0,1,0|2,0,0]=3 14 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [2,0,0,0,0,0|1,0,1]=4 15 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [2,0,0,0,0,0|1,0,1]=4 16 B7R0.6 CC(=O)NCB(O)O SC-87534 [2,0,0,0,0,0|1,0,1]=4 17 B7R0.6 CC(=O)OCC(=O)Cl SC-17748 [2,0,0,0,0,0|2,0,0]=4 18 B7R0.6 CC(=O)OCC(=O)O SC-65254 [2,0,0,0,0,0|1,0,0]=3 19 B9R0.54 CC(=O)C(C(C)=O)C(C)C SC-87791 [0,1,0,0,1,0|2,0,0]=4 20 B11R0.160 CSCC[C@@H](NC(C)=O)C(=O)O SC-16925 [0,2,0,0,0,0|0,0,0]=2 21 B11R0.108 CC(C)[C@H](NC(=O)CN)C(=O)O SC-79899 [0,2,0,0,0,0|1,0,0]=3 22 B11R0.56 CCOC(=O)C(C#N)NC(C)=O SC-53399 [0,2,0,0,0,0|1,0,1]=4 23 B9R1.6 O=C(O)C1CNCCN1 SC-03270 [1,0,0,1,0,0|1,0,1]=4 24 B9R1.6 O=C(O)[C@@H]1CCCNN1 SC-49631 [1,0,0,1,0,0|2,0,0]=4 25 B9R1.35 NC1=NC(C(=O)O)CS1 SC-88521 [1,0,0,1,0,0|1,0,1]=4 26 B9R1.41 NC1CCNC1C(=O)O SC-49345 [1,0,0,1,0,0|1,0,1]=4 27 B9R1.69 CC1NC(=O)CCC1O SC-50315 [1,0,0,1,0,0|1,0,1]=4 28 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11115 [1,0,0,1,0,0|1,0,1]=4 29 B9R1.52 C=C1CC(N)C1C(=O)O SC-29552 [0,0,0,1,1,0|2,0,0]=4 30 B9R1.168 CC(=O)C1(C(=O)O)CC1 SC-96292 [0,0,0,1,1,0|1,0,0]=3 31 B9R1.168 NC(=O)C1(C(=O)O)CC1 SC-54579 [0,0,0,1,1,0|2,0,0]=4 32 B11R1.175 O=C(O)C1CCC(C(=O)O)N1 SC-49849 [0,0,0,1,0,1|2,0,0]=4 33 B11R1.74 NC1CC(=O)NC(C(=O)O)C1 SC-69983 [0,1,0,1,0,0|1,0,0]=3 34 B11R1.21 NC1CCC(C(=O)O)NC1=O SC-49698 [0,1,0,1,0,0|1,0,0]=3 35 B9R0.7 C=C(C)CC[C@H](C)C(=O)O SC-31724 [1,0,0,0,0,1|2,0,0]=4 36 B9R0.7 CC(CCC(=O)O)C(=O)O SC-53293 [1,0,0,0,0,1|2,0,0]=4 37 B9R0.7 NC(=O)NC[C@H](N)C(=O)O SC-66318 [1,0,0,0,0,1|2,0,0]=4