0 B7R0.6 CC(=O)CCC(=O)O VS-08535 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.6 CC(=O)NCC(=O)O AS-12785 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.6 O=C(O)\C=C\C(=O)O STR02646 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.9 NCC(=O)CCC(=O)O GS-3020 [0,1,0,0,0,0|0,0,0]=1 4 B8R0.9 NCC(=O)NCC(=O)O AS-14771 [0,1,0,0,0,0|1,0,0]=2 5 B8R0.23 CC(C)CC(N)C(=O)O AS-12287 [0,1,0,0,0,0|1,0,1]=3 6 B8R0.23 CC(C)C[C@H](N)C(=O)O STR01720 [0,1,0,0,0,0|1,0,1]=3 7 B8R0.23 CC(C)C[C@H](O)C(=O)O DS-16256 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.23 CC(CC(=O)O)C(=O)O AS-17768 [0,1,0,0,0,0|1,0,0]=2 9 B8R0.23 CN(CC(=O)O)C(=N)N DS-9420 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.23 CN(CC(=O)O)C(=N)N STR05570 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.23 NC(=O)C[C@H](N)C(=O)O AS-11745 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.23 N[C@H](CC(=O)O)C(=O)O AS-12792 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.23 O=C(O)CC(O)C(=O)O STR03457 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.23 O=C(O)C[C@H](O)C(=O)O AS-18628 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.2 CC(C)=CC(=O)O STR03265 [0,0,0,0,1,0|1,0,1]=3 16 B6R0.2 CC(C)CC(=O)O STR08356 [0,0,0,0,1,0|1,0,1]=3 17 B6R0.2 CC(C)CC(N)=O AS-14001 [0,0,0,0,1,0|2,0,1]=4 18 B6R0.2 CC(O)CC(=O)O VS-08544 [0,0,0,0,1,0|0,0,2]=3 19 B6R0.2 CN(C)CC(=O)O STR05828 [0,0,0,0,1,0|2,0,0]=3 20 B8R0.28 N=C(N)NCCC(=O)O GS-6269 [0,0,0,0,0,1|2,0,0]=3 21 B8R0.28 O=C(O)CCCC(=O)O AS-13132 [0,0,0,0,0,1|1,0,0]=2 22 B5R0.1 CCCC(=O)[O-] AS-13929 [2,0,0,0,0,0|0,0,1]=3 23 B5R0.1 CNCC(=O)O STR01554 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.1 NCCC(=O)O STR03358 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.1 NOCC(=O)O AS-67289 [2,0,0,0,0,0|2,0,0]=4 26 B7R0.3 COC(=O)CCCN STR05061 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.4 C\C=C\C=C\C(=O)O STR09707 [1,1,0,0,0,0|0,0,2]=4 28 B7R0.5 CCCC(N)C(=O)O AS-56356 [1,1,0,0,0,0|0,0,1]=3 29 B7R0.5 CSC[C@H](N)C(=O)O GS-3468 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.5 N[C@@H](CCO)C(=O)O STR06869 [1,1,0,0,0,0|0,0,2]=4 31 B7R0.16 CC(C(=O)O)C(=O)O STR03479 [0,1,0,0,1,0|1,0,0]=3 32 B7R0.16 CC(C)[C@H](N)C(=O)O AS-12787 [0,1,0,0,1,0|1,0,1]=4 33 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AS-12789 [0,1,0,0,1,0|0,0,2]=4 34 B9R0.1 COC(=O)CCCC(=O)O AS-10521 [0,1,0,0,0,1|0,0,0]=2 35 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O DS-13284 [0,1,0,0,0,1|1,0,0]=3 36 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O AS-60885 [0,1,0,0,0,1|1,0,0]=3 37 B9R0.7 N[C@H](CCC(=O)O)C(=O)O AS-12791 [0,1,0,0,0,1|1,0,0]=3 38 B9R0.7 O=C(O)CCC(=O)C(=O)O AS-12579 [0,1,0,0,0,1|1,0,0]=3 39 B9R0.53 CC(CC(=O)O)CC(=O)O AS-39046 [0,1,0,0,0,1|1,0,0]=3 40 B9R0.53 O=C(O)CC(=O)CC(=O)O FS-4496 [0,1,0,0,0,1|1,0,0]=3 41 B9R0.56 O=C(O)CNCP(=O)(O)O KS-5110 [0,1,0,0,0,1|2,0,0]=4 42 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O GS-3121 [0,2,0,0,0,0|1,0,0]=3 43 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O DS-7410 [0,2,0,0,0,0|1,0,0]=3 44 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MS-20746 [0,2,0,0,0,0|0,0,2]=4 45 B7R1.2 O=C1CCC(=O)O1 STR01303 [1,0,0,1,0,0|0,0,0]=2 46 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 PS-5807 [0,0,0,1,0,1|0,0,2]=4 47 B9R1.35 O=C1CCC(C(=O)O)N1 PS-6138 [0,0,0,1,0,1|1,0,0]=3 48 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 STR02331 [0,0,0,1,0,1|1,0,0]=3 49 B5R0.5 O=C(O)C(=O)O STR01359 [0,0,0,0,2,0|1,0,0]=3