0 B7R1.2 CC1=NN=C(N)O1 BB52-8438 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 CN1CC[C@@H](N)C1 BB31-5227 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,0,0,0,0,0|2,0,1]=3 5 B7R1.2 NC1CCC(O)C1 BB31-2061 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.2 N[C@@H]1CC[C@@H](N)C1 BB32-0743 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 N[C@@H]1CC[C@@H](O)C1 BB31-1056 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-4650 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-5100 [0,0,0,0,0,0|2,0,2]=4 10 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 O=C1C=CC(O)O1 BB31-2490 [0,0,0,0,0,0|1,0,2]=3 12 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 O=C1CSC(=S)N1 BB52-8577 [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 BrC1CCSC1 BB52-7755 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [1,0,0,0,0,0|2,0,0]=3 18 B6R1.2 C[C@H]1CCNC1 BB31-5082 [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 NC1=NCCO1 BB32-1676 [1,0,0,0,0,0|2,0,0]=3 21 B6R1.2 NC1CCSC1 BB52-7752 [1,0,0,0,0,0|3,0,0]=4 22 B6R1.2 O=C1C=CCS1 BB32-1702 [1,0,0,0,0,0|0,1,2]=4 23 B6R1.2 OC1CCSC1 BB52-7751 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 C=CC1CCC(=O)N1 BB31-7031 [0,1,0,0,0,0|1,0,1]=3 25 B8R1.1 COC1=CC(=O)CC1 BB31-5801 [0,1,0,0,0,0|1,0,1]=3 26 B8R1.1 N#CC1CCC(=O)C1 BB32-2063 [0,1,0,0,0,0|1,0,1]=3 27 B8R1.1 N#CC1CNC(=O)C1 BB31-6774 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [0,1,0,0,0,0|1,0,0]=2 29 B8R1.1 NCC1CNC(=O)O1 BB31-3233 [0,1,0,0,0,0|1,0,0]=2 30 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.1 OCC1CCN(C)C1 BB52-8882 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.18 CN1CC(N)CC1=O BB31-0910 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.50 CN1CCC(=O)C1=O BB32-2163 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [0,1,0,0,0,0|0,0,0]=1 36 B8R1.51 CC1(C)COC(=O)C1 BB31-2397 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.51 NC1CCS(=O)(=O)C1 BB52-8538 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.51 O=S1(=O)CCC(Br)C1 BB52-7754 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.51 O=S1(=O)CCC(O)C1 BB52-7753 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.1 CCCC(=O)CCl BB31-4027 [0,0,1,0,0,0|2,0,0]=3 41 B6R0.2 CC(C)C[N+](=O)[O-] BB32-3569 [0,0,1,0,0,0|3,0,0]=4 42 B6R0.4 CC(=O)CCCBr BB31-6000 [0,0,1,0,0,0|2,0,0]=3 43 B6R0.4 CCCCC(=N)N BB31-8730 [0,0,1,0,0,0|2,0,0]=3 44 B6R0.4 COCCC(=N)N BB31-7023 [0,0,1,0,0,0|3,0,0]=4 45 B6R0.4 COCOC(C)=O BB32-2824 [0,0,1,0,0,0|3,0,0]=4 46 B6R0.4 NCCNC(N)=O BB32-3910 [0,0,1,0,0,0|3,0,0]=4 47 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [0,0,1,0,0,0|2,0,1]=4 48 B6R1.5 CN1CC(=O)C1 BB31-3564 [0,0,0,0,1,0|2,0,0]=3 49 B6R1.5 O=C1CC(O)C1 BB31-5120 [0,0,0,0,1,0|2,0,0]=3 50 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [0,0,0,0,0,1|1,0,0]=2 51 B8R1.3 C[C@@H]1CO[C@H](C)CN1 BB31-3235 [0,0,0,0,0,1|2,0,1]=4 52 B8R1.3 C[C@H]1CC[C@@H](N)CC1 BB31-5132 [0,0,0,0,0,1|2,0,1]=4 53 B8R1.3 C[C@H]1CN[C@H](C)CO1 BB31-3234 [0,0,0,0,0,1|2,0,1]=4 54 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [0,0,0,0,0,1|2,0,0]=3 56 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [0,0,0,0,0,1|2,0,0]=3 57 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,0,0,0,0,1|1,0,0]=2 58 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,0,0,0,0,1|0,0,0]=1 59 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,0,0,0,0,1|2,0,0]=3 60 B8R1.4 C[C@@H]1CN(C)CCN1 BB31-0644 [0,0,0,0,0,1|3,0,0]=4 61 B8R1.4 C[C@@H]1CN(C)CCN1 BB31-9150 [0,0,0,0,0,1|3,0,0]=4 62 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 BB31-3152 [0,0,0,0,0,1|2,0,1]=4 63 B8R1.4 C[C@@H]1CNC[C@H](C)C1 BB31-2797 [0,0,0,0,0,1|2,0,1]=4 64 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,0,0,0,0,1|1,0,0]=2 65 B8R1.4 C[C@@H]1COC[C@@H](C)N1 BB32-0557 [0,0,0,0,0,1|2,0,1]=4 66 B8R1.4 C[C@@H]1COC[C@@H](C)N1 BB32-3290 [0,0,0,0,0,1|2,0,1]=4 67 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,0,0,0,0,1|1,0,0]=2 68 B8R1.4 C[C@H]1CN(C)CCN1 BB31-0643 [0,0,0,0,0,1|3,0,0]=4 69 B8R1.4 C[C@H]1CNC[C@H](C)O1 BB31-4452 [0,0,0,0,0,1|1,0,1]=3 70 B8R1.4 C[C@H]1COC[C@@H](C)N1 BB32-0573 [0,0,0,0,0,1|2,0,1]=4 71 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,0,0,0,0,1|2,0,0]=3 72 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,0,0,0,0,1|2,0,0]=3 73 B5R0.1 CC(=O)CCBr BB31-4479 [1,0,1,0,0,0|2,0,0]=4 74 B5R0.1 CC(O)CCBr BB32-3029 [1,0,1,0,0,0|1,0,0]=3 75 B5R0.1 COCC(N)=O BB31-3207 [1,0,1,0,0,0|2,0,0]=4 76 B5R0.1 O=C(O)CCF BB32-2513 [1,0,1,0,0,0|1,0,0]=3 77 B5R0.2 C=CCCCI BB31-6966 [1,0,1,0,0,0|2,0,0]=4 78 B5R0.2 C=CCCCN BB31-4446 [1,0,1,0,0,0|2,0,0]=4 79 B5R0.2 OCCCCI BB32-2029 [1,0,1,0,0,0|1,0,1]=4 80 B5R0.3 CCC(=O)CN BB31-8248 [1,0,1,0,0,0|1,0,0]=3 81 B5R0.3 CO[C@@H](C)CO BB31-0453 [1,0,1,0,0,0|1,0,1]=4 82 B5R0.3 O=C[C@H](O)CO BB31-6122 [1,0,1,0,0,0|2,0,0]=4 83 B5R1.1 C1CNNC1 BB31-6290 [2,0,0,0,0,0|2,0,0]=4 84 B5R1.1 C1CNOC1 BB31-7828 [2,0,0,0,0,0|1,0,0]=3 85 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,1,1,0,0,0|2,0,0]=4 86 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,1,1,0,0,0|2,0,0]=4 87 B7R0.3 C=C(CCl)OCOC BB31-5584 [0,1,1,0,0,0|2,0,0]=4 88 B7R0.7 CCOC(=O)\C=C\I BB32-1414 [0,1,1,0,0,0|0,0,2]=4 89 B7R0.16 CC(C)C(C)C(=O)O BB31-8342 [0,1,1,0,0,0|2,0,0]=4 90 B7R0.4 N#CCCCC(=O)O BB31-7795 [0,1,1,0,0,0|0,0,1]=3 91 B7R0.4 NC(=O)CCCCO BB31-4574 [0,1,1,0,0,0|1,0,0]=3 92 B7R0.4 O=C([O-])COCCO BB31-2744 [0,1,1,0,0,0|1,0,1]=4 93 B7R0.4 OB(O)CCCCBr BB31-5383 [0,1,1,0,0,0|1,0,1]=4 94 B7R0.6 CC(=O)NCC(C)O BB31-7690 [0,1,1,0,0,0|1,0,0]=3 95 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [0,1,1,0,0,0|1,0,1]=4 96 B7R0.6 CC(N)CCC(=O)O BB31-2419 [0,1,1,0,0,0|0,0,0]=2 97 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [0,1,1,0,0,0|0,0,0]=2 98 B7R1.1 BrCC1=CCCC1 BB32-3867 [1,1,0,0,0,0|2,0,0]=4 99 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [1,1,0,0,0,0|1,0,1]=4 100 B7R1.1 CN[C@@H]1CCOC1 BB31-1876 [1,1,0,0,0,0|2,0,0]=4 101 B7R1.1 CN[C@H]1CCOC1 BB31-1877 [1,1,0,0,0,0|2,0,0]=4 102 B7R1.1 CO[C@@H]1CCNC1 BB31-1407 [1,1,0,0,0,0|2,0,0]=4 103 B7R1.1 CO[C@H]1CCNC1 BB31-1406 [1,1,0,0,0,0|2,0,0]=4 104 B7R1.1 FC[C@@H]1CCCN1 BB31-6796 [1,1,0,0,0,0|1,0,1]=4 105 B7R1.1 FC[C@@H]1CCNC1 BB31-2793 [1,1,0,0,0,0|2,0,0]=4 106 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [1,1,0,0,0,0|2,0,0]=4 107 B7R1.1 OCC1CCNC1 BB52-8382 [1,1,0,0,0,0|2,0,0]=4 108 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [1,1,0,0,0,0|2,0,0]=4 109 B7R1.4 NC1CCNC1=O BB31-0754 [1,1,0,0,0,0|1,0,0]=3 110 B7R1.4 NC1CCOC1=O BB52-6516 [1,1,0,0,0,0|0,0,0]=2 111 B7R1.14 CC1(C)CCCN1 BB52-8585 [1,1,0,0,0,0|1,0,1]=4 112 B7R1.14 CC1(C)CCNC1 BB31-5023 [1,1,0,0,0,0|2,0,0]=4 113 B7R1.10 COC1CC(=O)C1 BB31-4629 [0,1,0,0,1,0|1,0,0]=3 114 B7R1.10 NCC1CC(=O)C1 BB31-2692 [0,1,0,0,1,0|1,0,0]=3 115 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [0,1,0,0,1,0|1,0,0]=3 116 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [0,1,0,0,1,0|1,0,0]=3 117 B7R1.16 CC1(C)CC(=O)N1 BB32-2836 [0,1,0,0,1,0|1,0,0]=3 118 B7R1.16 O=C1CC(F)(F)C1 BB31-1782 [0,1,0,0,1,0|2,0,0]=4 119 B9R1.1 CON1CCC(=O)CC1 BB31-8752 [0,1,0,0,0,1|2,0,0]=4 120 B9R1.1 NCC1CCC(=O)NC1 BB32-1698 [0,1,0,0,0,1|1,0,0]=3 121 B9R1.1 O=C1CCC(CBr)CC1 BB31-3860 [0,1,0,0,0,1|1,0,0]=3 122 B9R1.1 O=C1CO[C@H](CO)CN1 BB31-8603 [0,1,0,0,0,1|1,0,0]=3 123 B9R1.1 O=CC1CCC(=O)CC1 BB31-5251 [0,1,0,0,0,1|1,0,1]=4 124 B9R1.69 CN1CCC(=O)CC1=O BB31-0803 [0,1,0,0,0,1|2,0,0]=4 125 B9R1.69 NC1CCC(=O)NC1=O BB31-4243 [0,1,0,0,0,1|2,0,0]=4 126 B9R1.69 N[C@@H]1CCC(=O)NC1=O BB32-0560 [0,1,0,0,0,1|2,0,0]=4 127 B9R1.2 CCC1CCCC(=O)C1 BB31-8126 [0,1,0,0,0,1|1,0,0]=3 128 B9R1.2 COC1=CC(=O)CCC1 BB31-3355 [0,1,0,0,0,1|1,0,1]=4 129 B9R1.2 NCC1CCNC(=O)C1 BB32-0239 [0,1,0,0,0,1|1,0,0]=3 130 B9R1.2 O=C1CC(CO)CCN1 BB32-2912 [0,1,0,0,0,1|1,0,0]=3 131 B9R1.2 O=C1CCC[C@@H](CO)N1 BB31-1849 [0,1,0,0,0,1|1,0,0]=3 132 B9R1.2 O=C1COCC(CO)N1 BB31-9072 [0,1,0,0,0,1|1,0,0]=3 133 B9R1.7 CCCC1COC(=O)O1 BB31-8496 [0,2,0,0,0,0|1,0,0]=3 134 B9R1.21 OC[C@@H]1CC[C@H](CO)O1 BB31-8184 [0,2,0,0,0,0|0,0,2]=4 135 B9R1.35 CC(=O)N1CCC(=O)C1 BB32-2049 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 BB31-2463 [0,2,0,0,0,0|1,0,0]=3 137 B9R1.132 CN1C(=O)CCC1CO BB31-5269 [0,2,0,0,0,0|1,0,0]=3 138 B9R1.132 COC1=C(Br)C(=O)CC1 BB31-2743 [0,2,0,0,0,0|1,0,1]=4 139 B9R1.133 CNC1CCS(=O)(=O)C1 BB32-2260 [0,2,0,0,0,0|2,0,0]=4 140 B7R1.3 O=C1CNCCO1 BB32-2655 [0,0,1,1,0,0|1,0,0]=3 141 B7R1.3 S=C1CCCCN1 BB31-1665 [0,0,1,1,0,0|1,1,0]=4 142 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [0,0,1,1,0,0|2,0,0]=4 143 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [0,0,1,1,0,0|2,0,0]=4 144 B7R1.18 CC(=O)N1CCC1 BB32-2755 [0,0,1,1,0,0|2,0,0]=4 145 B7R1.18 CC(O)C1CNC1 BB31-4088 [0,0,1,1,0,0|2,0,0]=4 146 B7R1.18 N=C(N)C1CCC1 BB31-6957 [0,0,1,1,0,0|2,0,0]=4 147 B7R1.18 NC(=O)C1CNC1 BB31-1092 [0,0,1,1,0,0|2,0,0]=4 148 B7R1.18 NC(=S)C1CCC1 BB31-2990 [0,0,1,1,0,0|1,1,0]=4 149 B7R1.18 O=C(O)C1=CCC1 BB32-1171 [0,0,1,1,0,0|0,0,2]=4 150 B7R1.18 O=C(O)C1COC1 BB31-0382 [0,0,1,1,0,0|1,0,0]=3 151 B7R2.11 C1NC2CC1C2 BB31-5093 [1,0,0,1,0,0|1,0,1]=4 152 B9R2.39 O=C1NC2CCC1C2 BB31-4286 [0,0,0,1,0,1|1,0,0]=3 153 B5R1.2 CC1CCN1 BB31-0642 [1,0,0,0,1,0|1,0,0]=3