0 B7R0.6 C(C(C)=O)=CN(C)C CS-W016611 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0039103 [0,1,0,0,0,0|0,0,2]=3 2 B8R0.23 [C@H](N)(CC(=O)O)C(C)C CS-W005787 [0,1,0,0,0,0|0,0,2]=3 3 B8R0.29 CC(C)(C)NCC(=O)O CS-W021463 [0,1,0,0,0,0|1,0,1]=3 4 B8R0.29 CS(=O)(=O)CCC(=O)O CS-0038744 [0,1,0,0,0,0|2,0,1]=4 5 B8R1.3 CC1=NNC(=O)CC1 CS-W011268 [0,0,0,1,0,0|2,0,1]=4 6 B8R1.23 CC1CC(C(=O)O)C1 CS-W006107 [0,0,0,1,0,0|0,0,2]=3 7 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-0043980 [0,0,0,1,0,0|1,0,2]=4 8 B8R1.35 O=C(O)\C=C\C1CC1 CS-B1741 [0,0,0,1,0,0|0,0,2]=3 9 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0015107 [0,0,0,0,1,0|2,0,0]=3 10 B6R0.2 CC(C)=CB(O)O CS-0046252 [0,0,0,0,1,0|1,0,1]=3 11 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [0,0,0,0,1,0|1,0,1]=3 12 B8R0.28 CC(C)CNCC(=O)O CS-0047296 [0,0,0,0,0,1|0,0,2]=3 13 B5R0.1 C#CCC(=O)O CS-W004784 [2,0,0,0,0,0|0,0,2]=4 14 B5R0.1 C=CC[C@H](C)O CS-0081915 [2,0,0,0,0,0|1,0,1]=4 15 B7R0.2 CCC(N)CC(=O)O CS-W021843 [1,1,0,0,0,0|0,0,2]=4 16 B7R0.4 CNCCCC(=O)O CS-0096860 [1,1,0,0,0,0|0,0,2]=4 17 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [1,1,0,0,0,0|1,0,1]=4 18 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [1,1,0,0,0,0|1,0,1]=4 19 B7R0.5 [C@H](N)(COC)C(=O)O CS-W006151 [1,1,0,0,0,0|1,0,1]=4 20 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,1,0,0,1,0|0,0,1]=3 21 B9R0.23 COC(=O)C(N)CC(=O)O CS-0101210 [0,2,0,0,0,0|1,0,1]=4 22 B9R0.23 COC(=O)C(O)CC(C)C CS-0033017 [0,2,0,0,0,0|0,0,2]=4 23 B9R0.11 CN(C)S(=O)(=O)CC(=O)O CS-0084150 [0,2,0,0,0,0|2,0,0]=4 24 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O CS-0011700 [0,2,0,0,0,0|0,0,2]=4 25 B9R0.57 CC(C)(F)C[C@H](N)C(=O)O CS-D0232 [0,2,0,0,0,0|0,0,2]=4 26 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [1,0,0,1,0,0|0,0,2]=4 27 B7R1.18 O=C(O)C1CNC1 CS-0067915 [1,0,0,1,0,0|1,0,1]=4 28 B7R1.18 O=C(O)[C@@H]1CCN1 CS-0031389 [1,0,0,1,0,0|1,0,1]=4 29 B7R1.20 O=C(O)CC1CC1 CS-W011326 [1,0,0,1,0,0|0,0,2]=4 30 B9R1.35 CC1=CC(C(=O)O)=CN1 CS-0018766 [0,0,0,1,0,1|0,0,2]=4 31 B9R1.35 CC1=CN=C(C(=O)O)N1 CS-W019454 [0,0,0,1,0,1|1,0,1]=4 32 B9R1.35 CC1=COC(C(=O)O)=C1 CS-W007308 [0,0,0,1,0,1|0,0,2]=4 33 B9R1.35 CC1=NC(C(=O)O)=CN1 CS-W023071 [0,0,0,1,0,1|1,0,1]=4 34 B9R1.35 CC1=NC(C(=O)O)=CS1 CS-0037835 [0,0,0,1,0,1|1,0,1]=4 35 B9R1.35 CC1=NC=C(C(=O)O)O1 CS-W006682 [0,0,0,1,0,1|1,0,1]=4 36 B9R1.69 CC1OC(=O)COC1=O CS-0094968 [0,1,0,1,0,0|2,0,0]=4 37 B9R1.82 C=C1CC(C(=O)OC)C1 CS-0046881 [0,1,0,1,0,0|0,0,2]=4 38 B9R1.84 O=C(O)CCN1CCC1 CS-W020473 [0,1,0,1,0,0|1,0,1]=4 39 B9R1.112 N[C@H](CC1CC1)C(=O)O CS-W013449 [0,1,0,1,0,0|0,0,2]=4 40 B9R2.145 O=C(O)C12CC(C1)C2 CS-0036907 [0,0,0,2,0,0|0,0,2]=4