0 B6R0.3 N[C@@H](CO)C(=O)O D00016 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 N[C@@H](CS)C(=O)O D00026 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 N[C@@H](CS)C(=O)O D02326 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 CC(O)CCO D10695 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 CCCC(=O)[O-] D08998 [1,0,0,0,0,0|0,0,1]=2 5 B5R0.1 CCOC(C)=O D02319 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 NCCC(=O)O D07561 [1,0,0,0,0,0|1,0,0]=2 7 B5R0.3 OCC(O)CO D00028 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 OCC(O)CS D05075 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.3 OCC(S)CS D00167 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.5 CC(O)C(=O)O D00111 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.5 CC(O)C(=O)[O-] D00936 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.5 CC(O)C(=O)[O-] D02183 [1,0,0,0,0,0|1,0,1]=3 13 B5R0.5 CC(O)C(=O)[O-] D02254 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.5 CC(O)C(=O)[O-] D02920 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.5 C[C@H](N)C(=O)O D00012 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.5 O=C([O-])C(Cl)Cl D05857 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.10 COC(=O)[C@@H](N)CS D01574 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.10 COC(=O)[C@@H](N)CS D08164 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.13 [2H][C@@](N)(CF)C(=O)O D04203 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.16 CC(C)[C@H](N)C(=O)O D00039 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O D00041 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.4 N[C@H]1CONC1=O D04706 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.4 [C@@H]1(N)CONC1=O D00877 [0,0,0,1,0,0|3,0,0]=4 24 B7R0.2 NCC(O)CC(=O)O D00174 [0,0,0,0,0,1|2,0,0]=3 25 B4R0.1 C=CC(=O)O D03392 [2,0,0,0,0,0|0,0,2]=4 26 B4R0.1 C=CC(=O)O D03393 [2,0,0,0,0,0|0,0,2]=4 27 B4R0.1 C=CC(=O)O D03394 [2,0,0,0,0,0|0,0,2]=4 28 B4R0.1 C=CC(=O)O D03395 [2,0,0,0,0,0|0,0,2]=4 29 B4R0.1 C=CC(=O)O D03396 [2,0,0,0,0,0|0,0,2]=4 30 B4R0.1 C=CC(=O)O D03397 [2,0,0,0,0,0|0,0,2]=4 31 B4R0.1 CC(O)CO D00078 [2,0,0,0,0,0|1,0,0]=3 32 B4R0.1 CCC(=O)O D02310 [2,0,0,0,0,0|0,0,0]=2 33 B4R0.1 CCC(=O)[O-] D05872 [2,0,0,0,0,0|0,0,1]=3 34 B4R0.1 CCC(=O)[O-] D08440 [2,0,0,0,0,0|0,0,1]=3 35 B4R0.1 NCC(=O)O D00011 [2,0,0,0,0,0|1,0,0]=3 36 B4R0.1 NCC(=O)[O-] D08016 [2,0,0,0,0,0|1,0,1]=4 37 B4R0.1 O=C(O)CCl D07677 [2,0,0,0,0,0|1,0,0]=3 38 B4R0.1 O=S(O)C[O-] D05861 [2,0,0,0,0,0|2,0,0]=4 39 B4R0.1 [*]CC([*])C D05545 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.1 [*]CC([*])O D02320 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.2 CCCCO D03200 [2,0,0,0,0,0|0,0,1]=3 42 B4R0.2 COCCO D05554 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.2 CC(=O)CC(C)C D04989 [1,1,0,0,0,0|1,0,0]=3 44 B6R0.2 CC(C)CC(N)=O D04637 [1,1,0,0,0,0|1,0,0]=3 45 B6R0.4 NCCCC(=O)O D00058 [1,1,0,0,0,0|0,0,0]=2 46 B6R0.4 O=C([O-])CCCO D05866 [1,1,0,0,0,0|0,0,1]=3 47 B6R0.5 NCCS(=O)(=O)O D00047 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.8 C#CC(C)(O)CC D07332 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.7 O=C(O)C(Cl)(Cl)Cl D08633 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O D00065 [0,1,0,0,0,1|0,0,0]=2 51 B8R0.5 CC(=O)OC(C)C[197Hg]O D04938 [0,1,0,0,0,1|2,0,0]=4 52 B8R0.5 CC(=O)OC(C)C[203Hg]O D04939 [0,1,0,0,0,1|2,0,0]=4 53 B8R0.3 CCOC(=O)[C@@H](N)CS D01559 [0,2,0,0,0,0|2,0,0]=4 54 B8R0.8 CSCCC(N)C(=O)O D04983 [0,2,0,0,0,0|1,0,0]=3 55 B8R0.8 CSCC[C@H](N)C(=O)O D00019 [0,2,0,0,0,0|1,0,0]=3 56 B8R0.8 CSCC[C@H](N)[11C](=O)O D04984 [0,2,0,0,0,0|1,0,0]=3 57 B8R0.8 C[75Se]CC[C@H](N)C(=O)O D05816 [0,2,0,0,0,0|1,0,0]=3 58 B8R0.8 NCCC[C@H](N)C(=O)O D08302 [0,2,0,0,0,0|1,0,0]=3 59 B8R0.8 NCCC[C@H](N)C(=O)O D08303 [0,2,0,0,0,0|1,0,0]=3 60 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O D00496 [0,2,0,0,0,0|1,0,0]=3 61 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O D08330 [0,2,0,0,0,0|1,0,0]=3 62 B8R1.7 O=C(O)C1CSCN1 D08601 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.7 O=C(O)[C@@H]1CCCN1 D00035 [0,1,0,1,0,0|0,0,0]=2 64 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O D00925 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O D04253 [0,1,0,1,0,0|2,0,0]=4