0 B5R0.3 O=C(CO)CO D07841 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 OCC(O)CO D00028 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.3 OCC(O)CS D05075 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 OCC(S)CS D00167 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CC(=O)NO D00220 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 CC(=O)OO D03467 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CC(O)CO D00078 [1,0,0,0,0,0|1,0,0]=2 7 B4R0.1 CCC(=O)O D02310 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 CCC(=O)[O-] D05872 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 CCC(=O)[O-] D08440 [1,0,0,0,0,0|1,0,2]=4 10 B4R0.1 NCC(=O)O D00011 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 O=C(O)CCl D07677 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 O=S(O)C[O-] D05861 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 [*]CC([*])C D05545 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 [*]CC([*])O D02320 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.2 CCCCO D03200 [1,0,0,0,0,0|0,0,0]=1 16 B4R0.2 CCOCC D01772 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.2 COCCO D05554 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.1 CNC(=S)NCO D07426 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 N[C@@H](CO)C(=O)O D00016 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.3 N[C@@H](CS)C(=O)O D00026 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.3 N[C@@H](CS)C(=O)O D02326 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.8 C#CC(C)(O)CC D07332 [0,1,0,0,0,0|1,0,1]=3 23 B3R0.1 CCCC D03186 [2,0,0,0,0,0|0,0,0]=2 24 B3R0.1 NCCN D01114 [2,0,0,0,0,0|2,0,0]=4 25 B3R0.1 NCCO D05074 [2,0,0,0,0,0|1,0,0]=3 26 B3R0.1 NCCS D03634 [2,0,0,0,0,0|1,1,0]=4 27 B3R0.1 NCCS D03635 [2,0,0,0,0,0|1,1,0]=4 28 B3R0.1 OCCO D03370 [2,0,0,0,0,0|1,0,0]=3 29 B3R0.1 OCCO D06418 [2,0,0,0,0,0|1,0,0]=3 30 B3R0.1 OCCO D06419 [2,0,0,0,0,0|1,0,0]=3 31 B3R0.1 OCCO D06420 [2,0,0,0,0,0|1,0,0]=3 32 B3R0.1 OCCO D06421 [2,0,0,0,0,0|1,0,0]=3 33 B3R0.1 OCCO D06422 [2,0,0,0,0,0|1,0,0]=3 34 B3R0.1 OCCO D06423 [2,0,0,0,0,0|1,0,0]=3 35 B3R0.2 CC(=O)O D00010 [2,0,0,0,0,0|1,0,1]=4 36 B3R0.2 CC(C)=O D02311 [2,0,0,0,0,0|0,0,2]=4 37 B3R0.2 CC(C)C D04623 [2,0,0,0,0,0|0,0,0]=2 38 B3R0.2 CC(C)N D04609 [2,0,0,0,0,0|1,0,0]=3 39 B3R0.2 CC(C)O D00137 [2,0,0,0,0,0|0,0,0]=2 40 B3R0.2 CS(C)=O D01043 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 CC(O)CCO D10695 [1,1,0,0,0,0|0,0,0]=2 42 B5R0.1 CC(O)C[197Hg]O D04940 [1,1,0,0,0,0|1,0,0]=3 43 B5R0.1 CCOC(C)=O D02319 [1,1,0,0,0,0|0,0,2]=4 44 B5R0.1 CN(C)CCO D07777 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.1 CN(C)CCS D03376 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.1 NCCC(=O)O D07561 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.4 CCC(C)(C)O D02931 [1,1,0,0,0,0|0,0,0]=2 48 B5R0.5 CC(O)C(=O)O D00111 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.5 CC(O)C(=O)[O-] D00936 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.5 CC(O)C(=O)[O-] D02183 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.5 CC(O)C(=O)[O-] D02254 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.5 CC(O)C(=O)[O-] D02920 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.5 C[C@H](N)C(=O)O D00012 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.2 NCC(O)CC(=O)O D00174 [0,2,0,0,0,0|2,0,0]=4 55 B7R0.7 CN(CCCl)CCCl D04872 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.7 CN(CCCl)CCCl D07671 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.10 OC[C@H](O)[C@H](O)CO D08915 [0,2,0,0,0,0|1,0,0]=3 58 B7R0.12 [*]OCC(CO)O[*] D05073 [0,2,0,0,0,0|2,0,0]=4 59 B7R0.16 CC(C)[C@H](N)C(=O)O D00039 [0,2,0,0,0,0|1,0,1]=4 60 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O D00041 [0,2,0,0,0,0|1,0,1]=4 61 B7R0.18 NC(CO)(CO)CO D00396 [0,2,0,0,0,0|1,0,0]=3 62 B5R1.2 O=C1CCO1 D05630 [1,0,0,1,0,0|1,0,1]=4 63 B5R1.3 ClCC1CO1 D01983 [1,0,0,1,0,0|1,0,0]=3 64 B5R1.3 ClCC1CO1 D08512 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.2 CC1COC(=O)O1 D05633 [0,1,0,1,0,0|1,0,1]=4