0 B8R1.3 C1C(SCC(S1)O)O PI-15243 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.3 C1CC(CCC1N)O PI-10861 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.3 C1CC(CCC1N)O PI-45759 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.3 C1CC(CCC1O)O PI-47036 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.3 C1CC(NCC1Br)Br PI-13266 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.3 C1CC(NCC1Cl)N PI-14911 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.3 CC1CCC(CC1)N PI-12652 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.3 CC1CCC(CC1)N PI-13103 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.3 CC1CCC(CC1)N PI-13124 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.3 CC1CNC(CN1)C PI-11053 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.3 CN1CCC(CC1)O PI-43240 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.3 C[C@@H]1CC[C@H](CC1)O PI-22724 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.3 NC1CCC(CC1)N PI-37998 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.3 NC1CCC(CC1)O PI-17554 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.3 N[C@H]1CC[C@@H](CC1)O PI-17994 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.3 N[C@H]1CC[C@@H](O)CC1 PI-35848 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.3 N[C@H]1CC[C@H](N)CC1 PI-17989 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.3 OC1OCC(OC1)O PI-37435 [0,0,0,0,0,0|0,2,0]=2 18 B8R1.3 O[C@H]1CC[C@H](O)CC1 PI-47037 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.3 BrC1CCCOC1 PI-35181 [1,0,0,0,0,0|2,1,0]=4 20 B7R1.3 C1CC(CNC1)Br PI-13262 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.3 C1CC(CNC1)F PI-48937 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.3 C1CC(CNC1)N PI-11065 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.3 C1CC(CNC1)N PI-27492 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.3 C1CC(CNC1)O PI-10129 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.3 C1CC(CNC1)O PI-11069 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 C1CC(CNC1)O PI-31252 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 C1CCNC(C1)Br PI-13261 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.3 C1CCNC(C1)Cl PI-13259 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.3 C1CCNC(C1)O PI-11062 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 C1CNCCC1O PI-43307 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.3 C1COC(CN1)O PI-41771 [1,0,0,0,0,0|1,1,0]=3 32 B7R1.3 C1C[C@@H](CNC1)F PI-48938 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.3 CC1CNCCN1 PI-31297 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.3 CC1CNCCN1 PI-33175 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.3 CC1CNCCO1 PI-34764 [1,0,0,0,0,0|2,1,0]=4 36 B7R1.3 CC1SCCCS1 PI-25717 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.3 C[C@@H]1CNCCN1 PI-31298 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.3 C[C@H]1CCCCN1 PI-48288 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.3 C[C@H]1CNCCO1 PI-37360 [1,0,0,0,0,0|2,1,0]=4 40 B7R1.3 C[C@H]1COCCN1 PI-38135 [1,0,0,0,0,0|2,1,0]=4 41 B7R1.3 NC1CCCCN1 PI-13252 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.3 NC1CCCNC1 PI-13253 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.3 N[C@@H]1CCCNC1 PI-27493 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.3 N[C@@H]1CCCNC1 PI-38031 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.3 O1CCCC(C1)O PI-42688 [1,0,0,0,0,0|1,1,0]=3 46 B7R1.3 OC1CCNCC1 PI-31377 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.3 OC1CCOCC1 PI-37145 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.3 O[C@H]1CCCNC1 PI-10130 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.1 COC1CCC(CC1)O PI-44528 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.10 OC1CCC(CC1)(F)F PI-35206 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.69 CC1CCC(CC1C)O PI-47226 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.6 CC(C)CCC(C)O PI-30803 [0,0,1,0,0,0|3,0,0]=4 53 B7R0.6 C[C@H](O)CC[C@H](C)O PI-20708 [0,0,1,0,0,0|2,0,0]=3 54 B7R1.2 C1C(COC1=O)O PI-28663 [0,0,0,0,1,0|0,1,2]=4 55 B7R1.2 C1CC(CC1N)O PI-44226 [0,0,0,0,1,0|2,0,0]=3 56 B7R1.2 C1CC(CC1O)O PI-43989 [0,0,0,0,1,0|1,0,0]=2 57 B7R1.2 CC1CCC(C1)O PI-44641 [0,0,0,0,1,0|2,0,0]=3 58 B7R1.2 CN1CCC(O)C1 PI-33498 [0,0,0,0,1,0|3,0,0]=4 59 B7R1.2 O=C1OCC(O)C1 PI-12958 [0,0,0,0,1,0|0,1,2]=4 60 B7R1.2 OC1CC(=O)NC1 PI-39044 [0,0,0,0,1,0|1,0,2]=4 61 B7R1.2 O[C@@H]1CC(=O)NC1 PI-15469 [0,0,0,0,1,0|1,0,2]=4 62 B7R1.2 O[C@H]1CC(=O)NC1 PI-15470 [0,0,0,0,1,0|1,0,2]=4 63 B7R1.2 O[C@H]1CC(=O)OC1 PI-28789 [0,0,0,0,1,0|0,1,2]=4 64 B6R0.1 C(CBr)C(CO)O PI-40398 [1,0,1,0,0,0|1,1,0]=4 65 B6R0.1 C(CO)C(CO)O PI-28525 [1,0,1,0,0,0|0,1,0]=3 66 B6R0.1 C(CO)C(CO)O PI-28767 [1,0,1,0,0,0|0,1,0]=3 67 B6R0.1 C(CO)C(CO)O PI-44643 [1,0,1,0,0,0|0,1,0]=3 68 B6R0.1 CCCC(CO)O PI-13556 [1,0,1,0,0,0|1,1,0]=4 69 B6R0.1 C[C@@H](CCO)CO PI-48285 [1,0,1,0,0,0|1,1,0]=4 70 B6R0.4 CCCCC(C)O PI-42555 [1,0,1,0,0,0|2,0,0]=4 71 B6R0.4 CCCC[C@@H](C)O PI-49839 [1,0,1,0,0,0|2,0,0]=4 72 B6R0.6 C(CCO)CCCl PI-44261 [1,0,1,0,0,0|2,0,0]=4 73 B6R0.6 C(CCS)CCS PI-11006 [1,0,1,0,0,0|1,1,0]=4 74 B6R0.6 CCCSCCC PI-48482 [1,0,1,0,0,0|2,0,0]=4 75 B6R1.1 C1CCSCS1 PI-25616 [2,0,0,0,0,0|2,0,0]=4 76 B6R1.1 C1CNCCS1 PI-15689 [2,0,0,0,0,0|1,0,0]=3 77 B6R1.1 C1COCCN1 PI-42536 [2,0,0,0,0,0|1,1,0]=4 78 B6R1.1 C1CSCCO1 PI-40740 [2,0,0,0,0,0|0,1,0]=3 79 B6R1.1 C1CSCCS1 PI-25617 [2,0,0,0,0,0|0,0,0]=2 80 B8R1.2 C1CC(CNC1)CO PI-11066 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.2 C1CCC(CC1)NO PI-17940 [1,1,0,0,0,0|2,0,0]=4 82 B8R1.2 C1CCC(CC1)ON PI-47245 [1,1,0,0,0,0|2,0,0]=4 83 B8R1.2 C1CCNC(C1)CO PI-11061 [1,1,0,0,0,0|2,0,0]=4 84 B8R1.2 C1CN[C@H](CN1)CO PI-49244 [1,1,0,0,0,0|2,0,0]=4 85 B8R1.2 C1COC(CN1)CO PI-41789 [1,1,0,0,0,0|1,1,0]=4 86 B8R1.2 C1COC(CN1)CO PI-44022 [1,1,0,0,0,0|1,1,0]=4 87 B8R1.2 C1COC(CN1)CO PI-44023 [1,1,0,0,0,0|1,1,0]=4 88 B8R1.2 C1CO[C@@H](CO1)CO PI-48359 [1,1,0,0,0,0|0,2,0]=4 89 B8R1.2 C1CO[C@H](CO1)CO PI-48360 [1,1,0,0,0,0|0,2,0]=4 90 B8R1.2 C1CSC(CS1)C#N PI-25253 [1,1,0,0,0,0|1,0,0]=3 91 B8R1.2 C1C[C@@H](CNC1)CO PI-48081 [1,1,0,0,0,0|2,0,0]=4 92 B8R1.2 COC1CCCNC1 PI-36380 [1,1,0,0,0,0|2,0,0]=4 93 B8R1.2 COC1CCCNC1 PI-43328 [1,1,0,0,0,0|2,0,0]=4 94 B8R1.2 NOC1CCCCO1 PI-31842 [1,1,0,0,0,0|1,1,0]=4 95 B8R1.2 OCC1CCCCC1 PI-15325 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.4 C1CC(CC(C1)O)N PI-34780 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.5 C1C(C(CSS1)O)O PI-25145 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.5 C1CCC(=O)C(C1)O PI-29668 [1,1,0,0,0,0|2,0,0]=4 99 B8R1.5 C1CCC(C(C1)N)O PI-30701 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.5 C1CCC(C(C1)N)O PI-35193 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.5 C1CCC(C(C1)N)O PI-35194 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.5 C1COCC(C1N)O PI-45087 [1,1,0,0,0,0|1,1,0]=4 103 B8R1.5 NC1CCCCC1O PI-17286 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.5 N[C@H]1CCCC[C@@H]1O PI-38120 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.5 N[C@H]1CCCC[C@H]1O PI-41464 [1,1,0,0,0,0|2,0,0]=4 106 B8R1.5 O[C@H]1[C@H](N)CCCC1 PI-41097 [1,1,0,0,0,0|2,0,0]=4 107 B8R1.72 CC1(CCCNC1)O PI-43320 [1,1,0,0,0,0|2,0,0]=4 108 B8R1.72 CC1(CCCNC1)O PI-43321 [1,1,0,0,0,0|2,0,0]=4 109 B8R1.72 CC1(O)CCCCC1 PI-36472 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.1 C1C(CNC1CO)F PI-41993 [0,1,0,0,1,0|2,0,0]=4 111 B8R1.1 C1[C@H](CN[C@@H]1CO)O PI-48269 [0,1,0,0,1,0|1,0,0]=3 112 B10R1.13 C1CC(CCC1C(=O)O)O PI-41501 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.297 CC1(CSC(CS1)(C)O)O PI-45860 [0,2,0,0,0,0|0,0,0]=2 114 B10R1.119 C1C(C(C(C(O1)O)O)O)O PI-12114 [0,2,0,0,0,0|1,1,0]=4 115 B6R0.2 CC(CC(=O)O)O PI-47070 [0,0,1,0,1,0|0,1,1]=4 116 B6R1.2 C1CNCC1F PI-37496 [1,0,0,0,1,0|2,0,0]=4 117 B6R1.2 C1CNCC1N PI-12334 [1,0,0,0,1,0|2,0,0]=4 118 B6R1.2 C1CNCC1N PI-15467 [1,0,0,0,1,0|2,0,0]=4 119 B6R1.2 C1CNCC1N PI-15468 [1,0,0,0,1,0|2,0,0]=4 120 B6R1.2 C1CNCC1N PI-16581 [1,0,0,0,1,0|2,0,0]=4 121 B6R1.2 C1CNCC1N PI-16582 [1,0,0,0,1,0|2,0,0]=4 122 B6R1.2 C1CNCC1O PI-10126 [1,0,0,0,1,0|1,0,0]=3 123 B6R1.2 C1CNCC1O PI-42733 [1,0,0,0,1,0|1,0,0]=3 124 B6R1.2 C1COCC1Cl PI-42699 [1,0,0,0,1,0|1,1,0]=4 125 B6R1.2 C1COCC1N PI-42643 [1,0,0,0,1,0|1,1,0]=4 126 B6R1.2 C1COCC1N PI-44061 [1,0,0,0,1,0|1,1,0]=4 127 B6R1.2 C1COCC1O PI-42698 [1,0,0,0,1,0|0,1,0]=3 128 B6R1.2 C1CSCC1=O PI-11167 [1,0,0,0,1,0|0,0,2]=4 129 B6R1.2 C1CSCC1O PI-48171 [1,0,0,0,1,0|0,0,0]=2 130 B6R1.2 CC1CCCN1 PI-35484 [1,0,0,0,1,0|2,0,0]=4 131 B6R1.2 CC1CCCN1 PI-35485 [1,0,0,0,1,0|2,0,0]=4 132 B6R1.2 CC1CCCS1 PI-47093 [1,0,0,0,1,0|1,0,0]=3 133 B6R1.2 CC1CCNC1 PI-48326 [1,0,0,0,1,0|2,0,0]=4 134 B6R1.2 CC1CNCC1 PI-36287 [1,0,0,0,1,0|2,0,0]=4 135 B6R1.2 C[C@@H]1CCNC1 PI-48327 [1,0,0,0,1,0|2,0,0]=4 136 B6R1.2 FC1CNCC1 PI-38496 [1,0,0,0,1,0|2,0,0]=4 137 B6R1.2 F[C@@H]1CNCC1 PI-37497 [1,0,0,0,1,0|2,0,0]=4 138 B6R1.2 IC1COCC1 PI-42701 [1,0,0,0,1,0|1,1,0]=4 139 B6R1.2 NC1CCNC1 PI-42734 [1,0,0,0,1,0|2,0,0]=4 140 B6R1.2 NC1COCC1 PI-42705 [1,0,0,0,1,0|1,1,0]=4 141 B6R1.2 OC1CC=CC1 PI-38265 [1,0,0,0,1,0|1,0,1]=4 142 B6R1.2 OC1COCC1 PI-20870 [1,0,0,0,1,0|0,1,0]=3 143 B6R1.2 O[C@@H]1CCOC1 PI-41161 [1,0,0,0,1,0|0,1,0]=3 144 B6R1.2 O[C@@H]1CNCC1 PI-10127 [1,0,0,0,1,0|1,0,0]=3 145 B6R1.2 O[C@@H]1CNCC1 PI-12902 [1,0,0,0,1,0|1,0,0]=3 146 B6R1.2 O[C@H]1CCOC1 PI-41160 [1,0,0,0,1,0|0,1,0]=3 147 B6R1.2 O[C@H]1CNCC1 PI-10148 [1,0,0,0,1,0|1,0,0]=3 148 B6R1.5 OC1CN(C1)C PI-37502 [0,0,0,0,2,0|2,0,0]=4