0 B7R0.10 CCC(O)C(=O)CC T20376 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.10 COC(=O)C(=C)C#N T24442 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.10 [C@@H](C(=O)OC)(CS)N T1547 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.10 [Li]OC(=O)C(=O)CO T19364 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 COC(=O)CCN T8097 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.3 C/C=C(/C)C(O)=O T3328 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.3 C/C=C(\C)C(O)=O T5542 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.3 CC(=O)C(/C)=N/O T2176 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.3 CCC(=O)C(O)=O T5060 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.3 CCC(N)C(O)=O TN6936 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.3 CCC(O)C([O-])=O T4738 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.3 CC[C@@H](N)C(O)=O T19302 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.3 CC[C@H](N)C(O)=O T5306 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.3 OC(=O)C(=O)CBr T5882 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.3 OCC(=O)C(O)=O T19365 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.5 CC1CCCCC1=O T36789 [0,0,0,1,0,0|1,0,1]=3 16 B8R1.5 NC1CCCNC1=O T13495 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.50 N[C@@H]1CCN(O)C1=O T12637 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.50 N[C@H]1CCN(O)C1=O T23298 [0,0,0,1,0,0|2,0,1]=4 19 B8R0.19 CCC(C)CC(=O)CC TN3128 [0,0,0,0,0,1|1,0,1]=3 20 B8R0.19 COC(=O)CC(=O)OC T5695 [0,0,0,0,0,1|2,0,0]=3 21 B5R0.1 C/C=C/C(O)=O T5301 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.1 CC(C)=CCO T4747 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.1 CCCC([O-])=O T1393 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|2,0,0]=4 25 B5R0.3 CCC(C)C=O T5090 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.5 CC(=C)C(N)=O TN7113 [2,0,0,0,0,0|2,0,0]=4 27 B5R0.5 CC(=O)C(O)=O T4804 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.5 CC(=O)C([O-])=O T7717 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.5 CN(C)C(C)=O T19439 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.5 NC(=O)C([O-])=O T19831 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.5 OC(=O)C(O)=O T2O2680 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.5 OC(=O)C(O)=O T5064 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.3 CO/C=C/C(=O)OC TN6402 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.3 COC(=O)CCCN T22364 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.5 CCOC(=O)C(C)=O T8030 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.16 CC(C)C(=O)C(O)=O T5232 [1,1,0,0,0,0|1,0,0]=3 37 B7R1.2 OC1CCC(=O)N1 TN3117 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.3 O=C1NCCC=C1 TN3081 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.3 O=C1OCCCO1 T21150 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.4 CC1OCCC1=O T8050 [1,0,0,1,0,0|1,0,1]=4 42 B7R1.4 CN1CCCC1=O T5851 [1,0,0,1,0,0|1,0,1]=4 43 B7R1.4 NC1CCSC1=O T5968 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.4 N[C@H]1CCSC1=O T19393 [1,0,0,1,0,0|2,0,0]=4 45 B9R1.69 CC1CNC(=O)NC1=O T0532 [0,0,0,1,0,1|1,0,0]=3 46 B9R1.138 CC1(C)COC(=O)C1=O T20466 [0,1,0,1,0,0|1,0,0]=3 47 B9R2.39 O=C1CC2CCC1C2 TN4667 [0,0,0,2,0,0|1,0,1]=4 48 B9R0.24 CNC(=O)CNC(=O)CN T13693 [0,0,0,0,0,2|2,0,0]=4 49 B9R0.24 COC(=O)/C=C/C(=O)OC T0492 [0,0,0,0,0,2|2,0,0]=4 50 B9R0.24 COC(=O)CCC(=O)CN T19421 [0,0,0,0,0,2|2,0,0]=4 51 B9R0.24 COC(=O)CCC(=O)CN T5002 [0,0,0,0,0,2|2,0,0]=4 52 B9R0.24 COC(=O)CCC(=O)OC T5696 [0,0,0,0,0,2|2,0,0]=4