0 B7R0.4 CC(=O)OC=CCBr CM11056 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 CC(=O)C=COC CM11079 [1,0,0,0,0,0|2,0,0]=3 2 B8R1.4 Cc1cccc(n1)Br CM14044 [0,0,0,1,0,0|2,0,0]=3 3 B8R1.4 Cc1ccnc(n1)Cl CM13850 [0,0,0,1,0,0|3,0,0]=4 4 B8R1.4 c1c(cncc1Br)O CM14470 [0,0,0,1,0,0|3,0,0]=4 5 B8R1.4 c1c(cncc1Cl)O CM10662 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.4 c1c(cncc1F)O CM10665 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.4 c1c(cncc1O)O CM10452 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.4 c1cc(cc(c1)Br)Br CM12169 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.4 c1cc(cc(c1)Br)Cl CM12036 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.4 c1cc(cc(c1)Br)N CM10037 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.4 c1cc(cc(c1)F)N CM11453 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.4 c1cc(cc(c1)F)O CM11748 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.4 c1cc(cc(c1)I)Br CM12100 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.4 c1cc(cc(c1)I)I CM12235 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.4 c1cc(nc(c1)Br)O CM10270 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.4 c1cnc(cc1I)O CM10195 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.4 c1cnc(cc1O)Br CM10678 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.7 B(c1cccs1)(O)O CM13586 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.7 c1c(nc[nH]1)C(=O)O CM14067 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.7 c1cn[nH]c1C(=O)O CM11038 [0,0,0,1,0,0|2,0,0]=3 21 B5R0.1 CC#CC(=O)O CM10024 [2,0,0,0,0,0|0,0,2]=4 22 B9R0.53 CC(=CC(=O)C=C(C)C)C CM14091 [0,2,0,0,0,0|2,0,0]=4 23 B7R1.2 C1=CC(=O)OC1O CM11011 [1,0,0,1,0,0|1,0,1]=4 24 B7R1.3 c1ccnc(c1)Cl CM13847 [1,0,0,1,0,0|2,0,0]=4 25 B7R1.1 c1c(nc[nH]1)C=O CM14068 [1,0,0,1,0,0|2,0,0]=4 26 B7R1.1 c1cc([nH]c1)C=O CM13861 [1,0,0,1,0,0|1,0,0]=3 27 B7R1.4 Cc1cscc1Br CM10703 [1,0,0,1,0,0|2,0,0]=4 28 B9R1.34 Cc1cc(cc(c1)Br)O CM11657 [0,1,0,1,0,0|1,0,0]=3 29 B9R1.34 Cc1cc(cc(c1)Cl)Cl CM10249 [0,1,0,1,0,0|2,0,0]=4 30 B9R1.34 Cc1cc(cc(c1)F)N CM11466 [0,1,0,1,0,0|2,0,0]=4 31 B9R1.34 Cc1cc(cc(c1)I)C CM12260 [0,1,0,1,0,0|2,0,0]=4 32 B9R1.34 Cc1cc(cc(n1)Cl)N CM10567 [0,1,0,1,0,0|2,0,0]=4 33 B9R1.34 c1c(cc(cc1Br)Br)O CM11712 [0,1,0,1,0,0|2,0,0]=4 34 B9R1.34 c1c(cc(cc1F)Br)O CM11638 [0,1,0,1,0,0|2,0,0]=4 35 B9R1.34 c1c(cc(cc1F)F)O CM11729 [0,1,0,1,0,0|2,0,0]=4 36 B9R1.34 c1c(cc(cc1O)Br)O CM11666 [0,1,0,1,0,0|2,0,0]=4 37 B9R1.2 CCc1cccc(c1)Br CM12087 [0,1,0,1,0,0|2,0,0]=4 38 B9R1.2 CCc1cccc(c1)N CM11452 [0,1,0,1,0,0|2,0,0]=4 39 B9R1.2 CNc1cccc(c1)O CM10115 [0,1,0,1,0,0|1,0,0]=3 40 B9R1.2 CSc1cccc(n1)Br CM10114 [0,1,0,1,0,0|2,0,0]=4 41 B9R1.2 Cc1cccc(c1)CF CM13445 [0,1,0,1,0,0|2,0,0]=4 42 B9R1.2 c1cc(cc(c1)I)CBr CM13435 [0,1,0,1,0,0|2,0,0]=4 43 B9R1.2 c1cc(cc(c1)I)CN CM10968 [0,1,0,1,0,0|2,0,0]=4 44 B9R1.3 Cc1c(cccc1F)O CM11760 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.3 Cc1cccc(c1Br)Cl CM10337 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.3 Cc1cccc(c1Br)N CM11315 [0,1,0,1,0,0|2,0,0]=4 47 B9R1.3 Cc1cccc(c1C)Br CM12245 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.3 Cc1cccc(c1C)Cl CM12248 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.3 Cc1cccc(c1C)F CM12253 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.3 Cc1cccc(c1Cl)C CM12250 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.3 Cc1cccc(c1F)Br CM13927 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.3 Cc1cccc(c1F)C CM12254 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.3 Cc1cccc(c1F)Cl CM14017 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.3 Cc1cccc(c1F)F CM13954 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.3 Cc1cccc(c1F)N CM11462 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.3 Cc1cccc(c1F)O CM11757 [0,1,0,1,0,0|1,0,0]=3 57 B9R1.3 Cc1cccc(c1I)O CM10210 [0,1,0,1,0,0|1,0,0]=3 58 B9R1.3 Cc1cccc(c1N)Br CM11316 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.3 Cc1cccc(c1N)N CM13949 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.3 Cc1cccc(c1N)O CM11590 [0,1,0,1,0,0|1,0,0]=3 61 B9R1.3 Cc1cccc(c1O)C CM11741 [0,1,0,1,0,0|1,0,0]=3 62 B9R1.3 Cc1cccc(c1O)F CM11759 [0,1,0,1,0,0|1,0,0]=3 63 B9R1.3 Cn1c(=O)cccc1Br CM10359 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.3 Cn1cccc(c1=O)Br CM10262 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.3 c1cc(c(c(c1)Br)Br)O CM11708 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.3 c1cc(c(c(c1)Br)Cl)O CM10471 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.3 c1cc(c(c(c1)Br)F)O CM11634 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.3 c1cc(c(c(c1)Br)I)O CM11649 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.3 c1cc(c(c(c1)Br)N)O CM11543 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.3 c1cc(c(c(c1)Br)O)Cl CM10890 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.3 c1cc(c(c(c1)Br)O)F CM11632 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.3 c1cc(c(c(c1)Cl)F)O CM11679 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.3 c1cc(c(c(c1)Cl)I)O CM11688 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.3 c1cc(c(c(c1)Cl)O)O CM10873 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.3 c1cc(c(c(c1)F)Cl)O CM11674 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.3 c1cc(c(c(c1)F)O)F CM11727 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.3 c1cc(c(c(c1)F)O)O CM11777 [0,1,0,1,0,0|1,0,1]=4 78 B9R1.3 c1cc(c(c(c1)I)O)Br CM10561 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.3 c1cc(c(c(c1)I)O)Cl CM10489 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.3 c1cc(c(c(c1)O)Cl)O CM10872 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.3 c1cc(c(c(c1)O)F)O CM11776 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.6 c1cncnc1C(=O)O CM10263 [0,1,0,1,0,0|1,0,0]=3 83 B9R1.35 Cn1cc(nc1)C(=O)O CM14072 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.35 Cn1ccc(c1)C(=O)O CM10465 [0,1,0,1,0,0|1,0,0]=3 85 B9R1.69 Cc1c(ccc(n1)N)Br CM10976 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.69 Cc1cc(ccc1Br)Br CM13950 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.69 Cc1cc(ccc1Br)I CM13933 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.69 Cc1cc(ccc1Cl)I CM13944 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.69 Cc1cc(ccc1F)N CM11467 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.69 Cc1cc(ccc1F)O CM11763 [0,1,0,1,0,0|1,0,0]=3 91 B9R1.69 Cc1cc(ccc1N)Br CM11319 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.69 Cc1cc(ccc1O)F CM11762 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.69 Cc1ccc(c(c1)Br)C CM12247 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.69 Cc1ccc(c(c1)C)Br CM12246 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.69 Cc1ccc(c(c1)C)Cl CM12249 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.69 Cc1ccc(c(c1)Cl)N CM11376 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.69 Cc1ccc(c(c1)Cl)O CM10213 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.69 Cc1ccc(c(c1)F)Br CM13929 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.69 Cc1ccc(c(c1)F)F CM13957 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.69 Cc1ccc(c(c1)F)N CM11463 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.69 Cc1ccc(c(c1)I)N CM11496 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.69 Cc1ccc(c(c1)N)I CM11497 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.69 Cc1ccc(c(c1)O)Br CM10472 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.69 Cc1ccc(c(c1)O)F CM11758 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.69 Cc1ccc(cc1Br)O CM10192 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.69 Cc1ccc(cc1C)Cl CM12251 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.69 Cc1ccc(cc1C)F CM12256 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.69 Cc1ccc(cc1N)O CM11593 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.69 Cc1ccc(cc1O)F CM11764 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.69 Cc1ccc(cc1O)N CM11597 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.69 Cc1ccc(cc1O)O CM10187 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.69 c1cc(c(cc1Br)O)Br CM11709 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.69 c1cc(c(cc1Br)O)Cl CM11610 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.69 c1cc(c(cc1Br)O)F CM11642 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.69 c1cc(c(cc1Br)O)N CM11546 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.69 c1cc(c(cc1Cl)O)I CM11692 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.69 c1cc(c(cc1F)O)Cl CM11677 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.69 c1cc(c(cc1F)O)F CM11725 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.69 c1cc(c(cc1F)O)I CM10850 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.69 c1cc(c(cc1F)O)N CM11573 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.69 c1cc(c(cc1I)O)I CM10916 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.69 c1cc(c(cc1N)O)Cl CM11559 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.69 c1cc(c(cc1O)Br)Cl CM11607 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.69 c1cc(c(cc1O)Br)F CM11636 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.69 c1cc(c(cc1O)Cl)Br CM10223 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.69 c1cc(c(cc1O)Cl)I CM10112 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.69 c1cc(c(cc1O)Cl)N CM11558 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.69 c1cc(c(cc1O)Cl)N CM14377 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.69 c1cc(c(cc1O)F)Br CM11641 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.69 c1cc(c(cc1O)F)Cl CM10877 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.69 c1cc(c(cc1O)F)F CM11728 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.69 c1cc(c(cc1O)F)I CM10646 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.69 c1cc(c(cc1O)F)N CM11581 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.69 c1cc(c(cc1O)I)Cl CM11690 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.69 c1cc(c(cc1O)N)F CM11577 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.69 c1cc(c(cc1O)O)Br CM14332 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.69 c1cc(c(cc1O)O)F CM11778 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.69 c1cc(c(cc1O)O)N CM10297 [0,1,0,1,0,0|2,0,0]=4