0 B9R0.7 C=C(C)C(=O)NCC(=O)O CS-0158074 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.7 CC(C)C(=O)NCC(=O)O CS-0201719 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.7 CC(Cl)C(=O)NCC(=O)O CS-0161354 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.7 CC(S)C(=O)NCC(=O)O CS-2431 [0,0,0,0,0,0|0,0,2]=2 4 B9R0.7 CN(C)C(=O)CCC(=O)O CS-0205917 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.7 CN(C)C(=O)NCC(=O)O CS-0325340 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.7 CN(C)C(=S)SCC(=O)O CS-0151337 [0,0,0,0,0,0|3,1,0]=4 7 B9R0.7 C[C@H](N)C(=O)NCC(=O)O CS-W010993 [0,0,0,0,0,0|1,0,2]=3 8 B8R0.9 CCC(=O)NCC(=O)O CS-0643654 [1,0,0,0,0,0|0,0,2]=3 9 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.9 COC(=O)NCC(=O)O CS-0150649 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.9 NCC(=O)CCC(=O)O CS-2575 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.9 NCC(=O)NCC(=O)O CS-0015211 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.9 O=C(O)CCC(=O)CBr CS-0185092 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [1,0,0,0,0,0|3,0,0]=4 15 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O CS-0059601 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.93 CC(N)C(=O)NC(C)C(=O)O CS-W016165 [0,1,0,0,0,0|1,0,2]=4 17 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O CS-W016166 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.93 C[C@H](N)C(=O)N[C@@H](C)C(=O)O CS-W010878 [0,1,0,0,0,0|1,0,2]=4 19 B10R0.93 C[C@H](N)C(=O)N[C@H](C)C(=O)O CS-0372484 [0,1,0,0,0,0|1,0,2]=4 20 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 CS-0186918 [0,0,0,1,0,0|1,0,2]=4 21 B8R0.23 CC(C)C(N)CC(=O)O CS-W013424 [0,0,0,0,1,0|2,0,1]=4 22 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [0,0,0,0,1,0|2,0,1]=4 23 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0039103 [0,0,0,0,1,0|2,0,1]=4 24 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0201887 [0,0,0,0,1,0|1,1,1]=4 25 B8R0.23 [C@H](N)(CC(=O)O)C(C)C CS-W005787 [0,0,0,0,1,0|2,0,1]=4 26 B10R0.96 CC(C)CC(=O)NCC(=O)O CS-W016180 [0,0,0,0,0,1|1,0,2]=4 27 B7R0.4 CCCNCC(=O)O CS-0250530 [2,0,0,0,0,0|0,0,2]=4 28 B7R0.4 CCCOCC(=O)O CS-0152048 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.4 CCCSCC(=O)O CS-0651549 [2,0,0,0,0,0|1,0,1]=4 30 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [2,0,0,0,0,0|1,0,1]=4 32 B7R0.4 O=C(O)COCCS CS-0115755 [2,0,0,0,0,0|1,0,1]=4 33 B7R0.4 O=C(O)COCCS CS-0115757 [2,0,0,0,0,0|1,0,1]=4 34 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [2,0,0,0,0,0|1,0,1]=4 36 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [2,0,0,0,0,0|0,0,2]=4 37 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [2,0,0,0,0,0|1,0,1]=4 38 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [2,0,0,0,0,0|1,0,1]=4 39 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [2,0,0,0,0,0|0,1,1]=4 40 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [2,0,0,0,0,0|1,1,0]=4 41 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [2,0,0,0,0,0|1,1,0]=4 42 B9R0.48 CCOC(=O)CCC(=O)O CS-W013313 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [1,1,0,0,0,0|0,0,2]=4 44 B11R1.167 [C@@H]1(C(C)C)N=C(O)CN=C1O CS-W016236 [0,0,0,1,0,1|2,0,0]=4 45 B11R1.167 [C@H]1(C(C)C)N=C(O)CN=C1O CS-W018009 [0,0,0,1,0,1|2,0,0]=4 46 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [1,0,0,0,1,0|1,0,1]=4 47 B7R0.2 CCC(C)CC(=O)O CS-W011229 [1,0,0,0,1,0|1,0,1]=4 48 B7R0.2 CCC(N)CC(=O)O CS-W021843 [1,0,0,0,1,0|1,0,1]=4 49 B7R0.2 CCN(C)CC(=O)O CS-0144155 [1,0,0,0,1,0|2,0,0]=4 50 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [1,0,0,0,1,0|1,0,1]=4 51 B7R0.2 CNC(=O)CC(=O)O CS-0139438 [1,0,0,0,1,0|1,0,1]=4 52 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,0,0,0,1,0|1,0,1]=4 53 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [1,0,0,0,1,0|1,0,1]=4 54 B7R0.16 CC(C)C(=O)C(=O)O CS-W006057 [0,0,0,0,2,0|1,0,1]=4 55 B7R0.16 CC(C)C(O)C(=O)O CS-W008150 [0,0,0,0,2,0|1,0,1]=4 56 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,0,0,0,2,0|1,0,1]=4 57 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [0,0,0,0,2,0|1,0,1]=4