0 B6R0.2 CC(=O)CC(C)C D04989 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(C)CC(N)=O D04637 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.2 CC(C)NC(C)C D01816 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(C)[NH2+]C(C)C D07842 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 O=C([O-])O[AlH3](O)O D03827 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 CCCC(=O)[O-] D08998 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 CCOC(C)=O D02319 [1,0,0,0,0,0|0,0,0]=1 7 B5R0.1 NCCC(=O)O D07561 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 NCC(=O)O[AlH3](O)O D02012 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.2 NCC(O)CC(=O)O D00174 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.9 CC(O)CC(C)(C)O D04439 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.9 C[N+](C)(C)CC(=O)O D03103 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.9 C[N+](C)(C)CC(=O)[O-] D03459 [0,1,0,0,0,0|3,0,0]=4 13 B7R0.9 C[N+](C)(C)CC(=O)[O-] D07523 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.16 CC(C)[C@H](N)C(=O)O D00039 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O D00041 [0,1,0,0,0,0|3,0,0]=4 16 B7R1.2 CC1COC(=O)O1 D05633 [0,0,0,1,0,0|1,0,0]=2 17 B7R1.2 O=C1CCC(=O)N1 D08532 [0,0,0,1,0,0|2,0,1]=4 18 B5R0.5 CC(O)C(=O)O D00111 [0,0,0,0,1,0|2,0,0]=3 19 B5R0.5 CC(O)C(=O)[O-] D00936 [0,0,0,0,1,0|2,0,0]=3 20 B5R0.5 CC(O)C(=O)[O-] D02183 [0,0,0,0,1,0|2,0,0]=3 21 B5R0.5 CC(O)C(=O)[O-] D02254 [0,0,0,0,1,0|2,0,0]=3 22 B5R0.5 CC(O)C(=O)[O-] D02920 [0,0,0,0,1,0|2,0,0]=3 23 B5R0.5 C[C@H](N)C(=O)O D00012 [0,0,0,0,1,0|2,0,0]=3 24 B5R0.5 O=C([O-])C(Cl)Cl D05857 [0,0,0,0,1,0|3,0,0]=4 25 B4R0.1 CC(=O)NO D00220 [2,0,0,0,0,0|2,0,0]=4 26 B4R0.1 CC(=O)OO D03467 [2,0,0,0,0,0|1,0,0]=3 27 B4R0.1 CCC(=O)O D02310 [2,0,0,0,0,0|1,0,0]=3 28 B4R0.1 CCC(=O)[O-] D05872 [2,0,0,0,0,0|1,0,0]=3 29 B4R0.1 CCC(=O)[O-] D08440 [2,0,0,0,0,0|1,0,0]=3 30 B4R0.1 NCC(=O)O D00011 [2,0,0,0,0,0|2,0,0]=4 31 B4R0.1 NCC(=O)[O-] D08016 [2,0,0,0,0,0|2,0,0]=4 32 B4R0.1 O=C(O)CCl D07677 [2,0,0,0,0,0|2,0,0]=4 33 B4R0.2 CCOCC D01772 [2,0,0,0,0,0|0,0,1]=3 34 B6R0.4 NCCCC(=O)O D00058 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.4 O=C([O-])CCCO D05866 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.23 CC(C)C[C@H](N)C(=O)O D00030 [0,1,0,0,0,1|2,0,0]=4 37 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O D00065 [0,2,0,0,0,0|2,0,0]=4 38 B8R0.5 CC(=O)OC(C)C[197Hg]O D04938 [0,2,0,0,0,0|0,0,0]=2 39 B8R0.5 CC(=O)OC(C)C[203Hg]O D04939 [0,2,0,0,0,0|0,0,0]=2 40 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O D00496 [0,2,0,0,0,0|2,0,0]=4 41 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O D08330 [0,2,0,0,0,0|2,0,0]=4