0 B7R0.16 CC(=O)C(=O)N(C)C BB58-1081 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 CC(C(=O)O)C(=O)O BB20-4558 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.16 CC(C)C(N)C(C)C BB58-0206 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(C)=CC(=O)O BB01-7468 [1,0,0,0,0,0|0,0,2]=3 5 B6R0.2 CC(C)NC(N)=O BB01-7616 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.2 CC(N)CC(=O)O BB12-2890 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.2 CC(N)CC(C)O BB58-3424 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.2 NC(=O)CC(=O)O BB55-4726 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.2 O=C(O)CC(F)F BB31-2950 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.3 CC(C)C(N)CO BB01-7497 [1,0,0,0,0,0|0,0,1]=2 11 B6R0.3 CC(C)C(O)C#N BB57-3716 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.3 CC(C)C(O)CN BB58-1333 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.3 CC(C)\C(N)=N\O BB53-1938 [1,0,0,0,0,0|1,0,1]=3 14 B6R0.3 CC(O)\C(N)=N\O BB57-3710 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.3 CCC(Br)C(N)=O BB55-8830 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.3 CNC(C)C(=O)O BB57-2982 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.3 COC(C)C(=O)O BB57-2927 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.3 CSC(C)C(=O)O BB12-2671 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.3 N#CC(N)C(N)=O BB54-0378 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.3 NC(CCl)C(=O)O BB57-2456 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.3 O=C(O)C(O)CCl BB57-6579 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.2 CC(C)C(O)\C(N)=N/O BB57-3728 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.2 CC(C)N(C)C(=O)CCl BB12-2480 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.2 CNC(=O)C(N)C(C)C BB32-0780 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.2 COC(=O)C(=O)C(C)C BB57-4104 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.18 CC(C)C(CN)N(C)C BB12-3600 [0,1,0,0,0,0|3,0,0]=4 27 B8R0.18 CCC(C(=O)O)N(C)C BB12-3549 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.18 CNC(C(=O)O)C(C)C BB57-2975 [0,1,0,0,0,0|0,0,0]=1 29 B8R0.37 CC(O)C(F)(F)C(=O)O BB58-4751 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.37 CN(C)C(C)(C)C(=O)O BB12-3603 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.23 CC(=O)CC(=O)C(C)C BB12-3661 [0,0,0,0,0,1|2,0,1]=4 32 B8R0.23 CC(C)CC(N)C(N)=O BB57-6612 [0,0,0,0,0,1|1,0,0]=2 33 B8R0.23 CC(C)N(C)CC(=O)O BB58-1905 [0,0,0,0,0,1|2,0,0]=3 34 B8R0.23 CC(C)[C@H](N)CC(=O)O BB01-8380 [0,0,0,0,0,1|0,0,0]=1 35 B8R0.23 CC(CC(=O)O)N(C)C BB12-1308 [0,0,0,0,0,1|2,0,0]=3 36 B8R0.23 CC(CN(C)C)C(=O)O BB12-1434 [0,0,0,0,0,1|2,0,0]=3 37 B5R0.1 CC(N)CCO BB57-1076 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 CNCC(C)=O BB12-3010 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 NC(=O)CCO BB58-1090 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.3 CC\C(N)=N\O BB12-3467 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.5 CC(C)C(=N)N BB20-1445 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.5 CC(Cl)C(N)=O BB12-1307 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.2 CC(C)CC(=O)NN BB12-2655 [1,1,0,0,0,0|1,0,0]=3 44 B7R0.2 CC(C)CC(O)CN BB58-4053 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.2 CC(C)NC(=O)CBr BB57-1138 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.2 CCC(C)NC(N)=O BB01-7615 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.2 CCN(C)CC(=O)O BB12-1321 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.2 CCN(C)CC(C)=O BB12-2316 [1,1,0,0,0,0|2,0,0]=4 49 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.2 CNC(=O)CC(C)N BB12-1658 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.2 CNC(C)CC(=O)O BB12-1285 [1,1,0,0,0,0|0,0,0]=2 52 B7R0.9 CC(C)(C)NC(N)=O BB01-7611 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.9 CC(C)(C)OC(N)=O BB56-2323 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.10 CCC(C)C(=O)NN BB55-8843 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.10 CCC(N)C(=O)NO BB57-4144 [1,1,0,0,0,0|0,0,0]=2 59 B7R0.10 CNC(C)C(=O)OC BB57-2496 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.10 COC(=O)C(O)CCl BB57-4961 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.10 COC(C)\C(N)=N\O BB57-3723 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.13 CCC(C)(N)C(=O)O BB56-0974 [1,1,0,0,0,0|0,0,0]=2 63 B7R0.13 COC(C)(C)C(=O)O BB57-1085 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.15 CCC(CN)C(=O)O BB58-3841 [1,1,0,0,0,0|0,0,0]=2 65 B7R0.15 CCC(NC)C(=O)O BB57-2477 [1,1,0,0,0,0|0,0,0]=2 66 B7R0.15 CCC(NC)C(N)=O BB57-1806 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.15 CCC(OC)C(=O)O BB57-2928 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.10 CC(CC(=O)O)C(C)(C)N BB57-2162 [0,1,0,0,0,1|1,0,0]=3 69 B9R0.23 COC(=O)C(C)CN(C)C BB12-3648 [0,1,0,0,0,1|2,0,0]=4 70 B9R0.39 CN[C@H](CC(C)C)C(=O)O BB31-2327 [0,1,0,0,0,1|0,0,0]=2 71 B9R0.42 CCN(C)CC(C)C(=O)O BB12-1433 [0,1,0,0,0,1|2,0,0]=4 72 B9R0.57 CC(C)(C)NC(=O)C(=O)O BB55-4693 [0,1,0,0,0,1|1,0,1]=4 73 B9R0.6 CCNC(=O)C(N)C(C)C BB32-0237 [0,2,0,0,0,0|1,0,0]=3 74 B9R0.41 CCC(CC)C(N)C(=O)O BB55-8898 [0,2,0,0,0,0|0,0,0]=2 75 B9R0.41 CCN(CC)C(C)C(=O)O BB58-0840 [0,2,0,0,0,0|2,0,0]=4 76 B9R0.41 COC(OC)C(C)C(C)=O BB12-3490 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.54 CC(C)C(C(=O)O)N(C)C BB57-2494 [0,2,0,0,0,0|0,0,0]=2 78 B9R0.80 CC(C)(O)C(F)(F)C(=O)O BB58-4345 [0,2,0,0,0,0|1,0,0]=3 79 B7R1.2 CC1CNC(=O)C1 BB58-5429 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.2 CC1CNC(=O)O1 BB57-3655 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.2 CC1COC(=O)N1 BB57-2454 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.12 O=C(O)[C@H]1C[C@@H]1F BB31-3333 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.20 O=C(Cl)CC1CC1 BB57-3744 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.4 NC1CCCC1=O BB58-3328 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.4 NC1CCNC1=O BB12-2184 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.18 NC(=O)C1CCC1 BB12-3033 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.18 O=C(O)C1CCN1 BB57-4884 [1,0,0,1,0,0|0,0,0]=2 88 B7R1.18 O=C(O)C1CCO1 BB31-4760 [1,0,0,1,0,0|1,0,0]=3 89 B7R1.19 CC(C)C1(N)CC1 BB58-3777 [1,0,0,1,0,0|1,0,1]=4 90 B7R1.19 NC(=O)C1(N)CC1 BB58-3762 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.22 CCC(N)C1CC1 BB57-2148 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.22 N[C@H](CO)C1CC1 BB32-0741 [1,0,0,1,0,0|0,0,1]=3 93 B7R1.22 N\C(=N/O)C1CC1 BB10-0038 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.23 CC1(C)CC1CO BB31-7326 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.35 CC1=NC(C(=O)O)CC1 BB58-2824 [0,0,0,1,0,1|1,0,1]=4 96 B9R1.35 CN1CCC(C(=O)O)C1 BB55-3489 [0,0,0,1,0,1|2,0,0]=4 97 B9R1.36 CC1CC(C)(C)NC1=O BB58-3413 [0,0,0,1,0,1|2,0,0]=4 98 B9R1.38 C=C1OC(=O)OC1(C)C BB54-0056 [0,0,0,1,0,1|1,0,1]=4 99 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.41 CN1CSCC1C(=O)O BB12-1635 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.101 COC(=O)[C@H](N)C1CC1 BB31-2387 [0,1,0,1,0,0|0,0,0]=2 102 B9R1.165 CC(N)(C(=O)O)C1CC1 BB57-2146 [0,1,0,1,0,0|0,0,0]=2 103 B7R0.6 CC(C)CNC(N)=O BB01-7595 [1,0,0,0,0,1|1,0,0]=3 104 B7R0.6 CC(C)SCC(=O)O BB12-3365 [1,0,0,0,0,1|0,0,0]=2 105 B7R0.6 CC(O)CNC(C)C BB58-2123 [1,0,0,0,0,1|1,0,1]=4 106 B7R0.6 CN(C)CCC(=O)O BB55-3488 [1,0,0,0,0,1|1,0,0]=3 107 B9R0.7 CC(C)=CC[C@H](N)C(=O)O BB32-0842 [0,0,0,0,0,2|0,0,1]=3 108 B9R0.7 CC(C)N(C)CCC(=O)O BB12-3651 [0,0,0,0,0,2|2,0,0]=4 109 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB12-2279 [0,0,0,0,0,2|1,0,0]=3 110 B9R0.53 CC(C)NC(=O)CC(=O)O BB57-3775 [0,0,0,0,0,2|1,0,1]=4