0 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O BB31-6183 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.2 CCC(N)CC(=O)O BB31-5235 [1,0,0,0,0,0|1,0,0]=2 2 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [1,0,0,0,0,0|1,0,0]=2 3 B7R0.5 CC(CCO)C(N)=O BB31-7816 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.5 NCCC(F)C(=O)O BB31-4428 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.16 CC(C)C(N)C(C)C BB32-2069 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.27 CCC(=O)C(C)C(=O)OC BB31-3423 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.27 CCC(C)C(N)C(=O)OC BB32-1071 [0,1,0,0,0,0|0,0,0]=1 9 B9R0.27 CCC(C)C(O)C(=O)OC BB31-7708 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.28 CCC(O)C(F)(F)C(=O)O BB31-0944 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O BB32-3117 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [0,0,0,1,0,0|1,0,0]=2 13 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O BB31-3041 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O BB32-3070 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O BB32-0417 [0,0,0,1,0,0|2,0,0]=3 16 B9R1.110 O=C(O)C(=O)C1CCC1 BB31-7654 [0,0,0,1,0,0|1,0,1]=3 17 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.4 CC(=O)CCCBr BB31-6000 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.4 CCCCC(=N)N BB31-8730 [2,0,0,0,0,0|2,0,0]=4 20 B6R0.3 C=C[C@H](N)C(=O)O BB31-5208 [2,0,0,0,0,0|0,0,2]=4 21 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [2,0,0,0,0,0|1,0,0]=3 24 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [1,1,0,0,0,0|1,0,0]=3 25 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [1,1,0,0,0,0|1,0,0]=3 26 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [1,1,0,0,0,0|0,0,2]=4 27 B8R0.16 CCC(CC)CC(=O)O BB32-3031 [1,1,0,0,0,0|0,0,0]=2 28 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [1,1,0,0,0,0|1,0,0]=3 29 B8R0.19 COC(=O)N[C@@H](C)CN BB31-0922 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [1,1,0,0,0,0|0,0,1]=3 31 B8R0.23 CC(C)[C@H](N)CC(=O)O BB31-7640 [1,1,0,0,0,0|1,0,0]=3 32 B8R0.8 C=CCC[C@H](N)C(=O)O BB31-7442 [1,1,0,0,0,0|0,0,1]=3 33 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [1,1,0,0,0,0|1,0,1]=4 34 B8R0.12 C=CC[C@@](C)(N)C(=O)O BB31-5407 [1,1,0,0,0,0|0,0,2]=4 35 B8R0.12 C=CC[C@](C)(N)C(=O)O BB31-5427 [1,1,0,0,0,0|0,0,2]=4 36 B8R0.15 CCCC(CC)C(=O)O BB31-3760 [1,1,0,0,0,0|1,0,0]=3 37 B8R0.18 CC(C)[C@@H](CN)C(=O)O BB31-3788 [1,1,0,0,0,0|0,0,0]=2 38 B8R0.18 CC(C)[C@H](CN)C(=O)O BB31-1792 [1,1,0,0,0,0|0,0,0]=2 39 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O BB31-7670 [1,1,0,0,0,0|1,0,0]=3 40 B8R0.27 CC(C)(C)[C@H](O)C(=O)O BB31-5424 [1,1,0,0,0,0|1,0,0]=3 41 B8R0.27 CC(C)(O)[C@H](N)C(=O)O BB31-5147 [1,1,0,0,0,0|0,0,0]=2 42 B10R0.38 COC(=O)C(Br)C(OC)OC BB31-3999 [0,2,0,0,0,0|2,0,0]=4 43 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.31 CC1CCC1C(=O)O BB31-4909 [1,0,0,1,0,0|0,0,0]=2 52 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.34 O=C(O)CC1COC1 BB31-1686 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O BB32-1878 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.5 NC1CCCCC1=O BB31-7416 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.5 NC1CCCNC1=O BB52-8540 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.5 O=C1NCCCC1Br BB32-1567 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-3955 [1,0,0,1,0,0|0,0,2]=4 61 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-5745 [1,0,0,1,0,0|0,0,2]=4 62 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.78 O=C(O)C1(O)COC1 BB31-2829 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.64 CN1CCCC1CC(=O)O BB58-3129 [0,0,0,1,0,1|2,0,0]=4 70 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 BB32-3911 [0,0,0,1,0,1|2,0,0]=4 71 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 BB31-7694 [0,0,0,1,0,1|2,0,0]=4 72 B10R1.204 N[C@@H](CC1CCC1)C(=O)O BB31-1413 [0,0,0,1,0,1|0,0,0]=2 73 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O BB31-3040 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.291 CN1CCC[C@@]1(C)C(=O)O BB31-9968 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.149 COC(=O)[C@@H]1CCCN1C BB32-1741 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.182 COC(=O)[C@@H](N)C1CCC1 BB31-2238 [0,1,0,1,0,0|0,0,0]=2 77 B10R1.39 CCN1CCCC1C(=O)O BB52-8702 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.128 CC1(C)SCN[C@@H]1C(=O)O BB31-7066 [0,1,0,1,0,0|1,0,0]=3 79 B10R2.638 O=C(O)C1CC12CCC2 BB32-0649 [0,0,0,2,0,0|1,0,0]=3 80 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [1,0,0,0,0,1|1,0,0]=3