0 B8R0.23 CC(=O)O[C@@H](C)C(=O)O CS-B0056 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.23 CC(=O)O[C@H](C)C(=O)O CS-B0055 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CS-W017946 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.5 NCCC(N)C(=O)O CS-W010735 [1,0,0,0,0,0|0,0,1]=2 5 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [1,0,0,0,0,0|0,1,1]=3 6 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [1,0,0,0,0,0|0,0,1]=2 7 B9R0.23 [C@@H](N)(CC(C)C)C(=O)OC CS-W017141 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0059140 [0,1,0,0,0,0|1,0,0]=2 9 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O CS-M3551 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CS-M3550 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 CS-0101206 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,0,0,1,0,0|1,0,2]=4 13 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,0,0,1,0,0|1,0,2]=4 15 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,0,0,1,0,0|1,0,2]=4 16 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 CS-D0218 [0,0,0,1,0,0|3,0,0]=4 17 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CS-W021072 [0,0,0,0,1,0|1,0,1]=3 18 B9R0.7 C[C@H](CCC(=O)O)C(=O)O CS-0063209 [0,0,0,0,0,1|2,0,0]=3 19 B9R0.53 CC(C)CC(N)CC(=O)O CS-W021839 [0,0,0,0,0,1|2,0,1]=4 20 B6R0.2 CC(O)CC(=O)[O-] CS-W011168 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.2 NC(=O)CC(N)=O CS-W011312 [2,0,0,0,0,0|0,0,1]=3 22 B6R0.2 [C@H](C)(O)CC(=O)[O-] CS-W016567 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 C#CCCC(=O)O CS-W008784 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.4 C=CCCC(=O)O CS-W009138 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.4 N#CCCC(=O)O CS-W018565 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|1,0,1]=4 27 B6R0.3 C=CC(C)C(=O)O CS-0006592 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.3 CCC(N)C(=O)O CS-W011306 [2,0,0,0,0,0|0,0,1]=3 29 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [2,0,0,0,0,0|0,0,1]=3 30 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [2,0,0,0,0,0|0,1,0]=3 33 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [2,0,0,0,0,0|0,1,0]=3 34 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [2,0,0,0,0,0|0,1,0]=3 35 B6R0.3 [C@H](N)(CO)C(=N)O CS-W008254 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.3 CCC[C@@H](N)C(=O)OC CS-M2701 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [1,1,0,0,0,0|1,0,0]=3 38 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O CS-W022740 [0,1,0,0,0,1|1,0,0]=3 39 B10R0.82 COC(=O)CC[C@H](N)C(=O)O CS-W014394 [0,1,0,0,0,1|1,0,0]=3 40 B10R0.47 COC(=O)CC(C)(C)C(=O)O CS-W022201 [0,2,0,0,0,0|2,0,0]=4 41 B10R0.46 [C@H](N)(CC(=O)OC)C(=O)OC CS-W010556 [0,2,0,0,0,0|1,0,0]=3 42 B10R0.46 [C@H](O)(CC(=O)OC)C(=O)OC CS-W007994 [0,2,0,0,0,0|2,0,0]=4 43 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.78 NC1(C(=O)O)CCC1 CS-B0092 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [1,0,0,1,0,0|2,0,0]=4 51 B10R1.349 CC(=O)N1CC(C(=O)O)C1 CS-0039289 [0,0,0,1,0,1|2,0,0]=4 52 B10R1.14 COC(=O)C1=CC(=O)NN1 CS-W000696 [0,1,0,1,0,0|0,0,2]=4 53 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [1,0,0,0,0,1|1,0,0]=3 54 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CS-W016142 [0,0,0,0,0,2|1,0,0]=3