0 B5R0.5 CN(C)C(=S)[S-] KS-5358 [0,0,0,0,0,0|2,2,0]=4 1 B5R0.5 O=C(O)C(=O)O STR01359 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.5 O=C([O-])C(Cl)Cl AS-58721 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC(=O)NO STR08084 [1,0,0,0,0,0|2,0,0]=3 4 B4R0.1 CSC(=N)N STR00989 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 NCC(=O)O STR01063 [1,0,0,0,0,0|1,0,0]=2 6 B4R0.1 NCC(=O)[O-] AS-19944 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.3 CC(=O)\C(C)=N\O AS-58741 [0,1,0,0,0,0|1,0,1]=3 8 B6R0.3 CC(CN)C(=O)O BS-12724 [0,1,0,0,0,0|1,0,0]=2 9 B6R0.3 CC[C@@H](N)C(=O)O DS-13951 [0,1,0,0,0,0|1,0,0]=2 10 B6R0.3 NC[C@H](N)C(=O)O DS-10772 [0,1,0,0,0,0|1,0,0]=2 11 B6R0.3 NC[C@H](N)C(=O)O FS-3898 [0,1,0,0,0,0|1,0,0]=2 12 B6R0.3 N[C@@H](CCl)C(=O)O AS-12232 [0,1,0,0,0,0|1,0,0]=2 13 B6R0.3 N[C@@H](CO)C(=O)O STR02557 [0,1,0,0,0,0|1,0,0]=2 14 B6R0.3 N[C@@H](CS)C(=O)O AS-11682 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.3 O=C([O-])C(=O)CS EK-0017 [0,1,0,0,0,0|0,0,3]=4 16 B6R0.7 CC(C)(N)C(=O)O AS-15790 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.7 CC(C)(O)C(=O)O STR04462 [0,1,0,0,0,0|0,0,0]=1 18 B6R0.2 CC(C)=CC(=O)O STR03265 [0,0,0,0,0,1|1,0,1]=3 19 B6R0.2 CC(C)CC(=O)O STR08356 [0,0,0,0,0,1|1,0,0]=2 20 B6R0.2 CC(C)CC(N)=O AS-14001 [0,0,0,0,0,1|2,0,0]=3 21 B6R0.2 CC(O)CC(=O)O VS-08544 [0,0,0,0,0,1|0,0,0]=1 22 B6R0.2 CN(C)CC(=O)O STR05828 [0,0,0,0,0,1|2,0,0]=3 23 B3R0.2 NC(N)=O STR00449 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.1 CCCC(=O)[O-] AS-13929 [1,1,0,0,0,0|0,0,1]=3 25 B5R0.1 CNCC(=O)O STR01554 [1,1,0,0,0,0|0,0,0]=2 26 B5R0.1 NCCC(=O)O STR03358 [1,1,0,0,0,0|0,0,0]=2 27 B5R0.1 NOCC(=O)O AS-67289 [1,1,0,0,0,0|0,0,0]=2 28 B5R0.4 NCP(=O)(O)O DG-0043 [1,1,0,0,0,0|2,0,0]=4 29 B7R0.16 CC(C(=O)O)C(=O)O STR03479 [0,1,0,0,0,1|1,0,1]=4 30 B7R0.16 CC(C)[C@H](N)C(=O)O AS-12787 [0,1,0,0,0,1|1,0,0]=3 31 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AS-12789 [0,1,0,0,0,1|0,0,0]=2 32 B7R0.5 CCCC(N)C(=O)O AS-56356 [0,2,0,0,0,0|1,0,0]=3 33 B7R0.5 CSC[C@H](N)C(=O)O GS-3468 [0,2,0,0,0,0|1,0,0]=3 34 B7R0.5 N[C@@H](CCO)C(=O)O STR06869 [0,2,0,0,0,0|1,0,0]=3 35 B7R0.10 COC(=O)[C@@H](N)CS AS-12760 [0,2,0,0,0,0|1,0,0]=3 36 B7R0.10 OC[C@H](O)[C@H](O)CO DS-5851 [0,2,0,0,0,0|0,0,2]=4 37 B7R0.10 O[C@H](CS)[C@H](O)CS AS-57473 [0,2,0,0,0,0|0,1,1]=4 38 B5R1.3 ClCC1CO1 HS-0081 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.4 N[C@@H]1CONC1=O HS-0079 [0,1,0,1,0,0|1,0,0]=3 40 B7R1.4 N[C@H]1CONC1=O DS-18395 [0,1,0,1,0,0|1,0,0]=3 41 B7R0.6 CC(=O)CCC(=O)O VS-08535 [0,0,0,0,0,2|0,0,2]=4 42 B7R0.6 CC(=O)NCC(=O)O AS-12785 [0,0,0,0,0,2|0,0,2]=4 43 B7R0.6 O=C(O)\C=C\C(=O)O STR02646 [0,0,0,0,0,2|1,0,1]=4