0 B5R0.5 CC(O)C(=O)O D00111 [0,0,0,0,0,0|1,2,1]=4 1 B5R0.5 CC(O)C(=O)[O-] D00936 [0,0,0,0,0,0|1,2,1]=4 2 B5R0.5 CC(O)C(=O)[O-] D02183 [0,0,0,0,0,0|1,2,1]=4 3 B5R0.5 CC(O)C(=O)[O-] D02254 [0,0,0,0,0,0|1,2,1]=4 4 B5R0.5 CC(O)C(=O)[O-] D02920 [0,0,0,0,0,0|1,2,1]=4 5 B5R0.5 C[C@H](N)C(=O)O D00012 [0,0,0,0,0,0|2,1,1]=4 6 B4R0.1 CC(O)CO D00078 [1,0,0,0,0,0|0,2,0]=3 7 B4R0.1 CCC(=O)O D02310 [1,0,0,0,0,0|1,1,1]=4 8 B4R0.1 CCC(=O)[O-] D05872 [1,0,0,0,0,0|1,1,1]=4 9 B4R0.1 CCC(=O)[O-] D08440 [1,0,0,0,0,0|1,1,1]=4 10 B4R0.1 [*]CC([*])C D05545 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 [*]CC([*])O D02320 [1,0,0,0,0,0|2,1,0]=4 12 B6R0.2 CC(=O)CC(C)C D04989 [0,0,0,0,0,1|1,1,1]=4 13 B6R0.2 CC(C)NC(C)C D01816 [0,0,0,0,0,1|2,0,0]=3 14 B6R0.2 CC(C)[NH2+]C(C)C D07842 [0,0,0,0,0,1|2,0,0]=3 15 B3R0.1 CCCC D03186 [2,0,0,0,0,0|0,0,0]=2 16 B3R0.1 NCCN D01114 [2,0,0,0,0,0|2,0,0]=4 17 B3R0.1 NCCO D05074 [2,0,0,0,0,0|1,1,0]=4 18 B3R0.1 NCCS D03634 [2,0,0,0,0,0|1,0,0]=3 19 B3R0.1 NCCS D03635 [2,0,0,0,0,0|1,0,0]=3 20 B3R0.1 OCCO D03370 [2,0,0,0,0,0|0,2,0]=4 21 B3R0.1 OCCO D06418 [2,0,0,0,0,0|0,2,0]=4 22 B3R0.1 OCCO D06419 [2,0,0,0,0,0|0,2,0]=4 23 B3R0.1 OCCO D06420 [2,0,0,0,0,0|0,2,0]=4 24 B3R0.1 OCCO D06421 [2,0,0,0,0,0|0,2,0]=4 25 B3R0.1 OCCO D06422 [2,0,0,0,0,0|0,2,0]=4 26 B3R0.1 OCCO D06423 [2,0,0,0,0,0|0,2,0]=4 27 B3R0.2 CC(C)=O D02311 [2,0,0,0,0,0|0,1,1]=4 28 B3R0.2 CC(C)C D04623 [2,0,0,0,0,0|1,0,0]=3 29 B3R0.2 CC(C)N D04609 [2,0,0,0,0,0|1,0,0]=3 30 B3R0.2 CC(C)O D00137 [2,0,0,0,0,0|0,1,0]=3 31 B3R0.2 CS(C)=O D01043 [2,0,0,0,0,0|1,1,0]=4 32 B5R0.1 CC(O)CCO D10695 [1,1,0,0,0,0|0,1,0]=3 33 B5R0.1 CC(O)C[197Hg]O D04940 [1,1,0,0,0,0|0,2,0]=4 34 B5R0.1 CCOC(C)=O D02319 [1,1,0,0,0,0|0,1,1]=4 35 B5R0.1 CN(C)CCO D07777 [1,1,0,0,0,0|2,0,0]=4 36 B5R0.1 CN(C)CCS D03376 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.3 OCC(O)CO D00028 [1,1,0,0,0,0|0,2,0]=4 38 B5R0.3 OCC(O)CS D05075 [1,1,0,0,0,0|0,1,0]=3 39 B5R0.3 OCC(S)CS D00167 [1,1,0,0,0,0|0,0,0]=2 40 B5R0.4 CCC(C)(C)O D02931 [1,1,0,0,0,0|0,1,0]=3 41 B7R0.9 CC(O)CC(C)(C)O D04439 [0,1,0,0,0,1|0,2,0]=4 42 B7R0.10 OC[C@H](O)[C@H](O)CO D08915 [0,2,0,0,0,0|0,2,0]=4 43 B5R1.3 ClCC1CO1 D01983 [1,0,0,1,0,0|1,1,0]=4 44 B5R1.3 ClCC1CO1 D08512 [1,0,0,1,0,0|1,1,0]=4 45 B7R2.1 C1OC1C2CO2 D05553 [0,0,0,2,0,0|0,2,0]=4