0 B7R0.2 CCC(C)NC(N)=O BB01-7615 [1,0,0,0,0,0|2,0,0]=3 1 B7R0.2 CCN(C)CC(=O)O BB12-1321 [1,0,0,0,0,0|1,0,0]=2 2 B7R0.2 CCN(C)CC(C)=O BB12-2316 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.2 CNC(=O)CC(=O)O BB55-4725 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.2 CNC(C)CC(=O)O BB12-1285 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.5 CCNC(=O)C(=O)O BB57-2473 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.5 CCSC(C)C(=O)O BB12-3261 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.5 CNCC(C)C(=O)O BB12-1637 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.10 COC(C)\C(N)=N\O BB57-3723 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.16 CC(C(=O)O)N(C)C BB12-1429 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.16 CC(C)C(N)C(C)C BB58-0206 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.32 CCS(=O)(=O)C(C)C(=O)O BB12-3268 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.41 CCC(CC)C(N)C(=O)O BB55-8898 [0,1,0,0,0,0|0,0,0]=1 13 B9R0.41 CCN(CC)C(C)C(=O)O BB58-0840 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.41 COC(OC)C(C)C(C)=O BB12-3490 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.3 CC1C(=O)NCCN1C BB57-3770 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.41 CN1CSCC1C(=O)O BB12-1635 [0,0,0,1,0,0|3,0,0]=4 18 B9R0.42 CCN(C)CC(C)C(=O)O BB12-1433 [0,0,0,0,0,1|2,0,0]=3 19 B6R0.1 CCC\C(N)=N\O BB10-0037 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.1 CNC(C)CCO BB05-4613 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.1 CNC(C)CCO BB12-1373 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.2 CC(C)=CC(=O)O BB01-7468 [2,0,0,0,0,0|0,0,2]=4 23 B6R0.2 CC(C)NC(N)=O BB01-7616 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.2 CC(N)CC(=O)O BB12-2890 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.2 O=C(O)CC(F)F BB31-2950 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 CCCCC(N)=S BB31-3291 [2,0,0,0,0,0|1,1,0]=4 27 B6R0.4 CCCNC(N)=O BB01-7603 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 CCOCC(=O)Cl BB01-8267 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 CCSCC(=O)O BB12-3264 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.4 CNCCC(=O)O BB12-1452 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.4 COCCC(=O)Cl BB20-1617 [2,0,0,0,0,0|2,0,0]=4 32 B6R0.4 COCCC(C)=O BB58-1056 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 NC(=O)CCCCl BB57-2489 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 NCCCC(N)=O BB57-4725 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.3 CC(C)C(N)CO BB01-7497 [2,0,0,0,0,0|0,0,1]=3 36 B6R0.3 CC(C)\C(N)=N\O BB53-1938 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.3 CCC(Br)C(N)=O BB55-8830 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.3 CNC(C)C(=O)O BB57-2982 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.3 COC(C)C(=O)O BB57-2927 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.3 CSC(C)C(=O)O BB12-2671 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.3 NC(CCl)C(=O)O BB57-2456 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.3 O=C(O)C(O)CCl BB57-6579 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.5 CCCC(N)CC(=O)O BB12-1701 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.5 CCNC(=O)CC(=O)O BB57-2976 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.5 CN(CCO)CC(=O)O BB12-1628 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.16 CCN(CC)CC(=O)O BB57-1160 [1,1,0,0,0,0|1,0,0]=3 47 B8R0.16 COC(CC(=O)O)OC BB58-0350 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.19 CCN(C)CC(=O)NN BB12-2715 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.23 CC(C)N(C)CC(=O)O BB58-1905 [1,1,0,0,0,0|1,0,0]=3 50 B8R0.23 CC(C)[C@H](N)CC(=O)O BB01-8380 [1,1,0,0,0,0|1,0,0]=3 51 B8R0.23 CC(CC(=O)O)N(C)C BB12-1308 [1,1,0,0,0,0|1,0,0]=3 52 B8R0.34 CCS(=O)(=O)CC(=O)O BB12-3267 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.3 CCCC(N)C(=O)NC BB55-8840 [1,1,0,0,0,0|1,0,0]=3 54 B8R0.8 CCCCC(N)C(C)=O BB54-3218 [1,1,0,0,0,0|1,0,0]=3 55 B8R0.8 CCCC[C@H](N)C(=O)O BB12-2277 [1,1,0,0,0,0|0,0,0]=2 56 B8R0.8 CCCOC(C)C(=O)O BB55-7871 [1,1,0,0,0,0|1,0,0]=3 57 B8R0.12 CCOC(C)(C)C(=O)O BB57-2291 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.12 COCC(C)(C)C(=O)O BB58-3780 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.15 CCCC(NC)C(=O)O BB57-2495 [1,1,0,0,0,0|0,0,0]=2 60 B8R0.18 CCC(C(=O)O)N(C)C BB12-3549 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.18 CNC(C(=O)O)C(C)C BB57-2975 [1,1,0,0,0,0|0,0,0]=2 62 B8R0.37 CC(O)C(F)(F)C(=O)O BB58-4751 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.37 CN(C)C(C)(C)C(=O)O BB12-3603 [1,1,0,0,0,0|2,0,0]=4 64 B10R0.144 CCN(CC)C(C)CC(=O)O BB58-0847 [0,1,0,0,0,1|2,0,0]=4 65 B10R0.72 CCN(CC)CC(C)C(=O)O BB58-0845 [0,1,0,0,0,1|2,0,0]=4 66 B10R0.38 COC(=O)C(C)C(OC)OC BB12-3516 [0,2,0,0,0,0|2,0,0]=4 67 B8R1.1 CCC1COC(=O)N1 BB57-3665 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.1 O=C1CC(CO)CN1 BB57-1047 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.4 CC1CC(=O)CCN1 BB54-5684 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.4 CC1CCCC(=O)N1 BB58-1969 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.34 O=C(O)CC1CCC1 BB55-4828 [1,0,0,1,0,0|0,0,0]=2 72 B8R1.5 NC1CCCCC1=O BB58-4091 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.5 O=C1OCCCC1Br BB17-3008 [1,0,0,1,0,0|1,0,0]=3 74 B8R1.7 CC(=O)C1CCCC1 BB55-6362 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.7 NC(=O)[C@@H]1CCCN1 BB12-3488 [1,0,0,1,0,0|1,0,0]=3 76 B8R1.7 O=C(Cl)C1CCCO1 BB20-1591 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.7 O=C(O)[C@H]1C=CCN1 BB32-2958 [1,0,0,1,0,0|0,0,2]=4 78 B8R1.23 O=C(O)C1CC(O)C1 BB58-2196 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.78 NC1(C(=O)O)CCC1 BB57-1033 [1,0,0,1,0,0|0,0,0]=2 80 B8R1.11 CO[C@@H]1COC[C@H]1N BB58-2830 [1,0,0,1,0,0|1,0,1]=4 81 B10R1.475 C=C1OC(=O)OC1(C)CC BB54-0404 [0,0,0,1,0,1|1,0,1]=4 82 B10R1.113 CC1CCCC(C(=O)O)N1 BB57-2043 [0,0,0,1,0,1|1,0,0]=3 83 B10R1.113 CN1CCCC(C(=O)O)C1 BB12-2768 [0,0,0,1,0,1|2,0,0]=4 84 B10R1.470 CN1CCC(C)(C(=O)O)C1 BB58-0308 [0,0,0,1,0,1|2,0,0]=4 85 B10R1.23 CC(C(=O)O)N1CCCC1 BB12-3371 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.61 CN1CCCCC1C(=O)O BB54-3898 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.61 NC1CCCCC1C(=O)O BB57-4267 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.61 OC(=O)[C@@H]1CCCC[C@H]1N BB01-8381 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.39 CCN1CCC[C@H]1C(=O)O BB12-3032 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.128 CC1(C)OCCC1C(=O)O BB58-3833 [0,1,0,1,0,0|2,0,0]=4 91 B8R0.9 CCC(=O)CCC(=O)O BB57-6622 [1,0,0,0,0,1|1,0,1]=4 92 B8R0.9 CCC(=O)NCC(=O)O BB55-4733 [1,0,0,0,0,1|1,0,1]=4 93 B8R0.9 CCC(N)CCC(=O)O BB57-2163 [1,0,0,0,0,1|1,0,0]=3 94 B8R0.9 CCN(C)CCC(=O)O BB12-3650 [1,0,0,0,0,1|1,0,0]=3 95 B8R0.9 CCS(=O)CCC(=O)O BB12-3269 [1,0,0,0,0,1|2,0,0]=4 96 B10R0.82 NCC(O)CCC(N)C(=O)O BB57-4923 [0,0,0,0,0,2|2,0,0]=4