0 B6R1.2 BrC1CCSC1 BB52-7755 [0,0,0,0,0,0|1,0,1]=2 1 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 C[C@H]1CCNC1 BB31-5082 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [0,0,0,0,0,0|2,0,1]=3 4 B6R1.2 NC1=NCCO1 BB32-1676 [0,0,0,0,0,0|4,0,0]=4 5 B6R1.2 NC1CCSC1 BB52-7752 [0,0,0,0,0,0|1,0,1]=2 6 B6R1.2 O=C1C=CCS1 BB32-1702 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 O=C1C=CON1 BB32-3109 [0,0,0,0,0,0|1,1,2]=4 8 B6R1.2 OC1CCSC1 BB52-7751 [0,0,0,0,0,0|0,0,2]=2 9 B6R1.2 O[C@@H]1CNOC1 BB31-5422 [0,0,0,0,0,0|1,1,2]=4 10 B5R1.1 C1CNNC1 BB31-6290 [1,0,0,0,0,0|2,0,1]=4 11 B5R1.1 C1CNOC1 BB31-7828 [1,0,0,0,0,0|1,1,1]=4 12 B7R1.1 BrCC1=CCCC1 BB32-3867 [0,1,0,0,0,0|2,0,1]=4 13 B7R1.1 CN[C@@H]1CCOC1 BB31-1876 [0,1,0,0,0,0|1,1,1]=4 14 B7R1.1 CN[C@H]1CCOC1 BB31-1877 [0,1,0,0,0,0|1,1,1]=4 15 B7R1.1 CO[C@@H]1CCNC1 BB31-1407 [0,1,0,0,0,0|1,0,2]=4 16 B7R1.1 CO[C@H]1CCNC1 BB31-1406 [0,1,0,0,0,0|1,0,2]=4 17 B7R1.1 FC[C@@H]1CCNC1 BB31-2793 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.1 N#C[C@H]1CCNC1 BB31-0628 [0,1,0,0,0,0|2,0,1]=4 19 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [0,1,0,0,0,0|1,1,1]=4 20 B7R1.1 O=CC1=CSN=N1 BB31-4453 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.1 OCC1CCNC1 BB52-8382 [0,1,0,0,0,0|1,0,2]=4 22 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [0,1,0,0,0,0|0,1,2]=4 23 B7R1.2 CN1CC[C@@H](N)C1 BB31-5227 [0,1,0,0,0,0|2,0,1]=4 24 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.2 NC1=CC(=O)CC1 BB31-4485 [0,1,0,0,0,0|1,0,1]=3 27 B7R1.2 NC1CCC(O)C1 BB31-2061 [0,1,0,0,0,0|1,0,2]=4 28 B7R1.2 N[C@@H]1CC[C@@H](N)C1 BB32-0743 [0,1,0,0,0,0|2,0,1]=4 29 B7R1.2 N[C@@H]1CC[C@@H](O)C1 BB31-1056 [0,1,0,0,0,0|1,0,2]=4 30 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-4650 [0,1,0,0,0,0|1,0,2]=4 31 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-5100 [0,1,0,0,0,0|1,0,2]=4 32 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.2 O=C1C=CC(O)O1 BB31-2490 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.2 O=C1CCC(O)C1 BB31-4994 [0,1,0,0,0,0|1,0,0]=2 36 B7R1.2 O=C1CNC(=O)C1 BB58-3126 [0,1,0,0,0,0|1,0,1]=3 37 B7R1.2 O=C1CSC(=S)N1 BB52-8577 [0,1,0,0,0,0|1,0,1]=3 38 B7R1.4 Br[C@@H]1CCC[C@H]1Br BB31-0304 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.4 NC1CCNC1=O BB31-0754 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.4 NC1CCOC1=O BB52-6516 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.4 N[C@@H]1CNC[C@H]1F BB31-1134 [0,1,0,0,0,0|2,0,1]=4 42 B7R1.4 N[C@@H]1COC[C@@H]1O BB32-0460 [0,1,0,0,0,0|0,1,2]=4 43 B7R1.4 N[C@@H]1COC[C@H]1O BB31-5283 [0,1,0,0,0,0|0,1,2]=4 44 B7R1.4 N[C@@H]1COC[C@H]1O BB32-1570 [0,1,0,0,0,0|0,1,2]=4 45 B7R1.4 N[C@H]1CCC[C@H]1N BB31-4642 [0,1,0,0,0,0|2,0,1]=4 46 B7R1.4 N[C@H]1COC[C@@H]1N BB32-2872 [0,1,0,0,0,0|1,1,1]=4 47 B7R1.4 N[C@H]1COC[C@@H]1O BB31-3986 [0,1,0,0,0,0|0,1,2]=4 48 B7R1.4 N[C@H]1COC[C@@H]1O BB32-1041 [0,1,0,0,0,0|0,1,2]=4 49 B7R1.4 O[C@H]1CNC[C@@H]1F BB31-3989 [0,1,0,0,0,0|1,0,2]=4 50 B7R1.14 CC1(C)CCNC1 BB31-5023 [0,1,0,0,0,0|2,0,1]=4 51 B7R1.14 FC1(F)CCNC1 BB31-8014 [0,1,0,0,0,0|2,0,1]=4 52 B5R0.1 CC(=O)CCBr BB31-4479 [0,0,1,0,0,0|1,0,0]=2 53 B5R0.1 CC(O)CCBr BB32-3029 [0,0,1,0,0,0|1,0,2]=4 54 B5R0.1 COCC(C)Br BB31-8127 [0,0,1,0,0,0|1,1,1]=4 55 B5R0.1 COCC(N)=O BB31-3207 [0,0,1,0,0,0|1,1,0]=3 56 B5R0.1 O=C(O)CCF BB32-2513 [0,0,1,0,0,0|2,0,0]=3 57 B5R0.2 C=CCCCI BB31-6966 [0,0,1,0,0,0|3,0,0]=4 58 B5R0.2 C=CCCCN BB31-4446 [0,0,1,0,0,0|3,0,0]=4 59 B5R0.2 CCSCCN BB31-5588 [0,0,1,0,0,0|1,0,1]=3 60 B5R0.3 CCC(=O)CN BB31-8248 [0,0,1,0,0,0|1,0,0]=2 61 B7R2.11 C1NC2CC1C2 BB31-5093 [0,0,0,1,0,0|2,0,1]=4 62 B5R1.2 BrC1CNC1 BB31-5774 [0,0,0,0,1,0|2,0,1]=4 63 B5R1.2 CC1CCN1 BB31-0642 [0,0,0,0,1,0|2,0,1]=4 64 B5R1.2 ClC1CNC1 BB31-7993 [0,0,0,0,1,0|2,0,1]=4 65 B5R1.2 NC1CSC1 BB31-1853 [0,0,0,0,1,0|1,0,1]=3 66 B5R1.2 SC1CNC1 BB31-3722 [0,0,0,0,1,0|1,1,1]=4 67 B7R1.3 CC1=CCNCC1 BB31-4858 [0,0,0,0,0,1|2,0,0]=3 68 B7R1.3 CN1CC=CCC1 BB31-7198 [0,0,0,0,0,1|3,0,0]=4 69 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [0,0,0,0,0,1|2,0,1]=4 70 B7R1.3 C[C@H]1CNCCO1 BB31-0582 [0,0,0,0,0,1|2,0,1]=4 71 B7R1.3 IC1CCNCC1 BB32-0018 [0,0,0,0,0,1|2,0,1]=4 72 B7R1.3 NC1=NCCCN1 BB32-1452 [0,0,0,0,0,1|3,0,0]=4 73 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [0,0,0,0,0,1|1,1,1]=4 74 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [0,0,0,0,0,1|1,1,1]=4 75 B7R1.3 O=C1C=CCCN1 BB32-3139 [0,0,0,0,0,1|1,0,1]=3 76 B7R1.3 O=C1CNCCO1 BB32-2655 [0,0,0,0,0,1|1,0,0]=2 77 B7R1.3 O=S1CCNCC1 BB32-3985 [0,0,0,0,0,1|2,0,0]=3 78 B7R1.3 OC1CC=CCC1 BB31-4823 [0,0,0,0,0,1|1,0,2]=4 79 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [0,0,0,0,0,1|0,1,2]=4 80 B7R1.3 S=C1CCCCN1 BB31-1665 [0,0,0,0,0,1|1,1,0]=3 81 B7R1.3 SC1CCCNC1 BB31-1279 [0,0,0,0,0,1|1,1,1]=4 82 B4R0.2 C=CCCI BB31-6880 [1,0,1,0,0,0|1,0,1]=4 83 B6R0.1 C#CCC(=O)OC BB32-1580 [0,1,1,0,0,0|1,0,1]=4 84 B6R0.1 CCCC(=O)CCl BB31-4027 [0,1,1,0,0,0|1,0,0]=3 85 B6R0.1 CN(C=O)CCO BB31-3078 [0,1,1,0,0,0|1,1,0]=4 86 B6R0.1 NNC(=O)CCO BB31-4269 [0,1,1,0,0,0|1,1,0]=4 87 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,1,1,0,0,0|2,0,0]=4 88 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,1,1,0,0,0|2,0,0]=4 89 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [0,1,1,0,0,0|2,0,0]=4 90 B6R0.4 CC(=O)CCCBr BB31-6000 [0,1,1,0,0,0|1,0,0]=3 91 B6R0.4 COCOC(C)=O BB32-2824 [0,1,1,0,0,0|0,1,0]=3 92 B6R0.4 NCCNC(N)=O BB32-3910 [0,1,1,0,0,0|2,0,0]=4 93 B6R1.5 CN1CC(=O)C1 BB31-3564 [0,1,0,0,1,0|1,0,0]=3 94 B6R1.5 CN1CC(N)C1 BB31-5035 [0,1,0,0,1,0|2,0,0]=4 95 B6R1.5 CN1CC(O)C1 BB31-5794 [0,1,0,0,1,0|2,0,0]=4 96 B6R1.5 N[C@H]1C[C@H](F)C1 BB31-2535 [0,1,0,0,1,0|1,0,1]=4 97 B6R1.5 O=C1CC(O)C1 BB31-5120 [0,1,0,0,1,0|0,0,0]=2 98 B6R1.5 O[C@H]1C[C@H](F)C1 BB31-1536 [0,1,0,0,1,0|0,0,2]=4 99 B6R1.6 CNC1CCC1 BB31-5108 [0,1,0,0,1,0|1,0,1]=4 100 B6R1.6 NNC1CCC1 BB31-0660 [0,1,0,0,1,0|1,0,1]=4 101 B6R1.6 O=CC1COC1 BB31-1651 [0,1,0,0,1,0|0,1,1]=4 102 B8R1.2 O=CC1CCCCO1 BB32-0336 [0,1,0,0,0,1|1,0,1]=4 103 B8R1.2 O=CC1CCNCC1 BB31-0713 [0,1,0,0,0,1|1,0,1]=4 104 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [0,1,0,0,0,1|0,1,0]=3 105 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [0,1,0,0,0,1|1,0,0]=3 106 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [0,1,0,0,0,1|1,0,0]=3 107 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [0,1,0,0,0,1|1,0,0]=3 108 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,1,0,0,0,1|1,0,0]=3 109 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,1,0,0,0,1|2,0,0]=4 110 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,1,0,0,0,1|1,0,0]=3 111 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,1,0,0,0,1|0,1,0]=3 112 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,1,0,0,0,1|1,0,0]=3 113 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,1,0,0,0,1|1,0,0]=3 114 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,1,0,0,0,1|1,0,0]=3 115 B8R1.5 CC1COCCC1=O BB31-0779 [0,1,0,0,0,1|0,1,0]=3 116 B8R1.5 CN1CCOCC1=O BB31-4094 [0,1,0,0,0,1|0,1,0]=3 117 B8R1.5 NC1CCCCC1=O BB31-7416 [0,1,0,0,0,1|1,0,0]=3 118 B8R1.5 NC1CCCNC1=O BB52-8540 [0,1,0,0,0,1|1,0,0]=3 119 B8R1.5 O=C1CCOCC1Br BB31-5776 [0,1,0,0,0,1|0,1,0]=3 120 B8R1.5 O=C1CCOCC1F BB32-3113 [0,1,0,0,0,1|0,1,0]=3 121 B8R1.5 O=C1NCCCC1Br BB32-1567 [0,1,0,0,0,1|1,0,0]=3 122 B8R1.72 CC1(O)CCSCC1 BB31-7851 [0,1,0,0,0,1|0,0,2]=4 123 B8R1.72 N=S1(=O)CCOCC1 BB32-3683 [0,1,0,0,0,1|1,1,0]=4 124 B8R1.1 C=CC1CCC(=O)N1 BB31-7031 [0,2,0,0,0,0|2,0,0]=4 125 B8R1.1 COC1=CC(=O)CC1 BB31-5801 [0,2,0,0,0,0|1,0,1]=4 126 B8R1.1 N#CC1CCC(=O)C1 BB32-2063 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.1 N#CC1CNC(=O)C1 BB31-6774 [0,2,0,0,0,0|2,0,0]=4 128 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [0,2,0,0,0,0|2,0,0]=4 129 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [0,2,0,0,0,0|1,0,1]=4 130 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [0,2,0,0,0,0|1,0,1]=4 131 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [0,2,0,0,0,0|1,0,1]=4 132 B8R1.11 O=C1CCC=C1CO BB31-7246 [0,2,0,0,0,0|1,0,1]=4 133 B8R1.18 CN1CC(N)CC1=O BB31-0910 [0,2,0,0,0,0|2,0,0]=4 134 B8R1.18 O=C1NC(=O)C(Br)S1 BB31-9704 [0,2,0,0,0,0|1,0,1]=4 135 B8R1.50 CN1CCC(=O)C1=O BB32-2163 [0,2,0,0,0,0|1,0,1]=4 136 B8R1.51 CC1(C)CCC(=O)O1 BB31-8004 [0,2,0,0,0,0|2,0,0]=4 137 B8R1.51 CC1(C)COC(=O)C1 BB31-2397 [0,2,0,0,0,0|2,0,0]=4 138 B8R1.51 NC1CCS(=O)(=O)C1 BB52-8538 [0,2,0,0,0,0|2,0,0]=4 139 B8R1.51 O=S1(=O)CCC(Br)C1 BB52-7754 [0,2,0,0,0,0|2,0,0]=4 140 B8R1.51 O=S1(=O)CCC(O)C1 BB52-7753 [0,2,0,0,0,0|2,0,0]=4 141 B8R1.19 O=C1NCCC1(F)F BB31-3179 [0,2,0,0,0,0|2,0,0]=4 142 B6R1.11 O=C(O)C1CO1 BB31-6282 [0,0,1,1,0,0|1,1,0]=4 143 B6R1.11 O=C([O-])[C@H]1CO1 BB31-6739 [0,0,1,1,0,0|1,1,0]=4 144 B8R1.22 NC1=NCCCCC1 BB52-7687 [0,0,0,0,0,2|2,0,0]=4 145 B8R1.22 O=C1CCCCNC1 BB32-3316 [0,0,0,0,0,2|1,0,0]=3 146 B8R1.22 O=C1CCCOCC1 BB32-3102 [0,0,0,0,0,2|0,1,0]=3 147 B8R1.22 O=C1CNCCCN1 BB31-5486 [0,0,0,0,0,2|1,0,0]=3 148 B8R1.22 O=C1CNCCCN1 BB31-6324 [0,0,0,0,0,2|1,0,0]=3