0 B9R1.35 CC(=O)N1CCC(=O)C1 BB32-2049 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 BB31-2463 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 NC1CCC(C(=O)O)C1 BB31-5764 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 BB31-5110 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 BB31-7079 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 BB32-0526 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 O=C(O)C1=NC=C(Br)N1 BB31-1468 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.35 O=C1C=C(C(=O)O)NN1 BB52-5683 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.1 C=CC1CCC(=O)N1 BB31-7031 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.1 N#CC1CCC(=O)C1 BB32-2063 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-3955 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.7 O=C(O)[C@@H]1C=CCN1 BB31-5745 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.14 COC(=O)C1=CC(=O)CC1 BB31-9888 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 BB31-1920 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 BB31-8179 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 BB31-5268 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 BB31-3489 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 BB31-3426 [0,1,0,0,0,0|1,0,2]=4 27 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 BB31-1919 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 BB32-0731 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.55 O=C1CC[C@@H](C(F)(F)F)N1 BB32-0043 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.58 CN1CC(C(=O)O)CC1=O BB52-0174 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.194 CN1C(=O)CCC1C(=O)O BB51-0407 [0,1,0,0,0,0|0,0,0]=1 32 B10R1.359 O=C(O)C1CCC(F)(F)C1 BB31-1506 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.470 C[C@@]1(C(=O)O)CCC(=O)N1 BB32-0853 [0,1,0,0,0,0|0,0,0]=1 34 B8R0.8 C=CCC[C@H](N)C(=O)O BB31-7442 [0,0,1,0,0,0|1,0,0]=2 35 B8R0.9 C=CC(=O)NCC(=O)O BB31-4277 [0,0,1,0,0,0|0,0,2]=3 36 B8R0.9 CC(=O)NNC(=O)CBr BB31-9622 [0,0,1,0,0,0|3,0,0]=4 37 B8R0.9 CCC(=O)NCC(C)C BB32-3399 [0,0,1,0,0,0|2,0,1]=4 38 B8R0.15 CCCC(CC)C(=O)O BB31-3760 [0,0,1,0,0,0|2,0,1]=4 39 B8R0.23 CC(=O)C(C)CC(=O)O BB31-6096 [0,0,1,0,0,0|3,0,0]=4 40 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [0,0,1,0,0,0|3,0,0]=4 41 B8R0.28 NC(=O)CCCC(N)=O BB31-6283 [0,0,1,0,0,0|1,0,0]=2 42 B8R0.28 O=C(O)CCC[N+](=O)[O-] BB31-3252 [0,0,1,0,0,0|2,0,0]=3 43 B10R2.178 O=C1CCC2CCC1N2 BB31-3938 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 BB31-7196 [0,0,0,0,1,0|2,0,1]=4 45 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 BB31-8607 [0,0,0,0,1,0|2,0,1]=4 46 B8R1.23 O=C(O)C1CC(Cl)C1 BB31-7948 [0,0,0,0,1,0|2,0,1]=4 47 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 BB31-0994 [0,0,0,0,1,0|2,0,1]=4 48 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 BB31-0993 [0,0,0,0,1,0|2,0,1]=4 49 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,0,0,0,1,0|1,0,1]=3 50 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [0,0,0,0,1,0|1,0,1]=3 51 B10R1.13 CC1=CCC(C(=O)O)CC1 BB32-2492 [0,0,0,0,0,1|2,0,0]=3 52 B10R1.13 O=C(O)C1CCC(F)CC1 BB31-7519 [0,0,0,0,0,1|2,0,1]=4 53 B10R1.13 O=C(O)C1CCC(O)CN1 BB31-1677 [0,0,0,0,0,1|0,0,2]=3 54 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 BB32-0576 [0,0,0,0,0,1|0,0,2]=3 55 B10R1.54 O=C(O)CC1CCC(=O)C1 BB31-7997 [0,0,0,0,0,1|1,0,0]=2 56 B10R1.54 O=C(O)CC1CCC(=O)O1 BB54-4135 [0,0,0,0,0,1|1,0,0]=2 57 B10R1.113 CC(=O)N1CCNC(=O)C1 BB31-3650 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.113 CC(C)[C@H]1COCC(=O)N1 BB31-1812 [0,0,0,0,0,1|2,0,1]=4 59 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 BB32-3911 [0,0,0,0,0,1|2,0,1]=4 60 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 BB31-7694 [0,0,0,0,0,1|1,0,2]=4 61 B10R1.113 O=C1N=CC=C(C(=O)O)N1 BB31-7356 [0,0,0,0,0,1|0,0,3]=4 62 B7R0.4 N#CCCCC(=O)O BB31-7795 [1,0,1,0,0,0|0,0,2]=4 63 B7R0.4 NC(=O)CCCCO BB31-4574 [1,0,1,0,0,0|0,0,1]=3 64 B7R0.5 NCCC(F)C(=O)O BB31-4428 [1,0,1,0,0,0|2,0,0]=4 65 B7R0.6 CC(=O)NCC(C)O BB31-7690 [1,0,1,0,0,0|1,0,1]=4 66 B7R0.6 CC(=O)\C=C\C(=O)O BB31-4699 [1,0,1,0,0,0|1,0,1]=4 67 B7R0.15 CN[C@@H](CO)C(=O)O BB31-9937 [1,0,1,0,0,0|1,0,1]=4 68 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [2,0,0,0,0,0|0,0,1]=3 69 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [2,0,0,0,0,0|0,0,1]=3 70 B7R1.2 O=C1CC(O)CO1 BB31-5337 [2,0,0,0,0,0|2,0,0]=4 71 B7R1.2 O=C1CCC(O)C1 BB31-4994 [2,0,0,0,0,0|1,0,0]=3 72 B9R0.7 CC(C)CC[C@@H](N)C(=O)O BB31-2417 [0,1,1,0,0,0|1,0,1]=4 73 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O BB32-2964 [0,1,1,0,0,0|1,0,0]=3 74 B9R0.13 CCCC[C@H](NC)C(=O)O BB31-3398 [0,1,1,0,0,0|1,0,1]=4 75 B9R0.47 C=CCCC[C@@H](N)C(=O)O BB31-8480 [0,1,1,0,0,0|1,0,0]=3 76 B9R0.51 C=CCCC(C)(C)C(=O)O BB32-3030 [0,1,1,0,0,0|2,0,0]=4 77 B9R0.24 CCC(=O)CCC(=O)CC BB31-4562 [0,1,1,0,0,0|2,0,0]=4 78 B9R0.39 CN[C@@H](CC(N)=O)C(=O)O BB31-7264 [0,1,1,0,0,0|2,0,0]=4 79 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O BB32-3117 [0,1,1,0,0,0|2,0,0]=4 80 B9R0.1 C=C(C)CCCC(=O)OC BB32-1876 [0,1,1,0,0,0|2,0,0]=4 81 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7764 [0,1,1,0,0,0|1,0,0]=3 82 B9R0.53 NC(CC(=O)O)CC(=O)O BB31-7919 [0,1,1,0,0,0|1,0,0]=3 83 B9R1.132 CN1C(=O)CCC1CO BB31-5269 [1,1,0,0,0,0|0,0,1]=3 84 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O BB31-3041 [1,1,0,0,0,0|1,0,1]=4 86 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O BB32-3070 [1,1,0,0,0,0|1,0,1]=4 87 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O BB32-0417 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.163 CC1(C(=O)O)CCNC1 BB31-6443 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.163 C[C@@]1(C(=O)O)CCNC1 BB31-2661 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.163 O=C(O)C1(F)CCCC1 BB31-2962 [1,1,0,0,0,0|1,0,1]=4 91 B9R1.163 O=C(O)C1(F)CCNC1 BB31-0905 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.152 CC1(C(=O)O)CC(=O)C1 BB31-4490 [0,1,0,0,1,0|1,0,0]=3 93 B9R1.164 O=C(O)C1CS(=O)(=O)C1 BB31-1722 [0,1,0,0,1,0|2,0,0]=4 94 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 BB31-0151 [0,1,0,0,0,1|1,0,1]=4 95 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 BB31-0152 [0,1,0,0,0,1|1,0,1]=4 96 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 BB31-0147 [0,1,0,0,0,1|1,0,1]=4 97 B11R1.23 COC(=O)C1=CC(=O)CCC1 BB32-2249 [0,1,0,0,0,1|1,0,1]=4 98 B11R1.23 COC(=O)C1CCCC(=O)N1 BB31-9180 [0,1,0,0,0,1|0,0,0]=2 99 B11R1.48 CCN1CC(C(=O)O)CC1=O BB52-0175 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.64 CCN1C(=O)CCC1C(=O)O BB51-0410 [0,2,0,0,0,0|0,0,0]=2 101 B9R1.69 NC1CCC(=O)NC1=O BB31-4243 [0,0,1,1,0,0|1,0,0]=3 102 B9R1.69 N[C@@H]1CCC(=O)NC1=O BB32-0560 [0,0,1,1,0,0|1,0,0]=3 103 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O BB31-2567 [0,0,1,1,0,0|2,0,0]=4 104 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O BB32-3765 [0,0,1,1,0,0|2,0,0]=4 105 B9R2.39 O=C1NC2CCC1C2 BB31-4286 [1,0,0,1,0,0|1,0,1]=4 106 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,0,1,0,1,0|1,0,1]=4 107 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [1,0,0,0,1,0|0,0,1]=3 108 B7R1.18 O=C(O)C1COC1 BB31-0382 [1,0,0,0,1,0|1,0,1]=4 109 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,0,0,0,2,0|1,0,1]=4 110 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,0,0,0,2,0|1,0,1]=4 111 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [0,0,0,0,2,0|1,0,1]=4 112 B9R0.4 CSCC[C@H](N)CC(=O)O BB31-6882 [0,0,1,0,0,1|2,0,0]=4 113 B9R0.4 CSCC[C@H](N)CC(=O)O BB32-1606 [0,0,1,0,0,1|2,0,0]=4 114 B9R1.2 O=C1CC(CO)CCN1 BB32-2912 [1,0,0,0,0,1|1,0,1]=4 115 B9R1.2 O=C1CCC[C@@H](CO)N1 BB31-1849 [1,0,0,0,0,1|0,0,1]=3 116 B9R1.2 O=C1COCC(CO)N1 BB31-9072 [1,0,0,0,0,1|0,0,1]=3 117 B9R1.13 O=C(O)CC1CCNC1 BB31-4791 [1,0,0,0,0,1|2,0,0]=4 118 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-4906 [1,0,0,0,0,1|0,0,1]=3 119 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-5437 [1,0,0,0,0,1|0,0,1]=3 120 B9R1.13 O=C(O)C[C@@H]1CCOC1 BB31-2581 [1,0,0,0,0,1|2,0,0]=4 121 B11R1.157 O=C(O)CN1CCNC(=O)C1 BB52-8108 [0,0,0,0,0,2|2,0,0]=4