0 B10R1.119 Cc1c(cnc(c1I)N)Br WX609368 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.3 Cc1c(c(ncn1)O)Br WX637087 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.3 Cc1c(ccnc1Cl)I WX638072 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.3 Cc1ccc[n+](c1Br)[O-] WXC01652 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.3 c1c(c(c(cn1)I)O)I WXC04111 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.3 c1cc(c(c(c1)Br)I)F WX634007 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.3 c1cc(c(c(c1)Br)I)O WX645030 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.3 c1cc(c(c(c1)Br)N)N WX602084 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.3 c1cnc(c(c1Cl)O)Br WXC01391 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.69 Cc1c(cc(cn1)Br)N WX609484 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.69 Cc1c(ccc(n1)Cl)Br WX637052 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.69 Cc1c(ccc(n1)N)Br WX637051 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.69 Cc1c(cnc(n1)C)O WX649102 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.69 Cc1cc(c(nc1)F)I WX638020 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.69 Cc1cc(c(nc1)I)C WX638014 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.69 Cc1cc(cnc1N)O WX609496 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.69 Cc1cc(ncc1Br)Cl WX637053 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.69 Cc1cc(ncc1Br)N WX637054 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.69 Cc1cc(ncc1N)Br WXC01642 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.69 Cc1ccc(c(n1)C)O WX649106 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.69 Cc1ccc(cc1Br)O WX633051 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.69 Cc1cnc(c(n1)N)C WX609371 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.69 Cc1cnc(cc1Br)N WX609326 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.69 Cc1cnc(cc1I)F WX638021 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.69 Cc1cnc(cc1I)N WX638022 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.69 Cc1ncc(c(n1)O)F WX619060 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.69 Cn1cc(ccc1=O)Br WX637374 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.69 c1c(cnc(c1O)N)Br WX609122 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.69 c1cc(c(cc1Br)N)I WX602197 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.69 c1cc(c(cc1Cl)O)I WX634028 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.69 c1cc(c(cc1I)F)N WXC01916 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.69 c1cc(c(cc1O)Br)F WX645040 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.69 c1cc(c(cc1O)Cl)Br WX645074 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.69 c1cc(c(cc1O)O)N WX602111 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.32 Cc1c(c(nc(c1Br)C)C)Br WXC04385 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.32 Cc1c(nc(c(c1O)I)C)C WXC04507 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.72 Cc1c(c(c(cn1)Br)O)OC WXC01423 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.278 Cc1c(c(ccc1C#N)O)C WX683308 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.278 Cc1c(ccc(c1O)C=O)O WXC01854 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.278 c1cc(c(c(c1CO)N)F)F WXC02104 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.37 Cc1c(c(c(s1)C)Br)Br WX637187 [0,0,0,0,1,0|3,0,0]=4 41 B8R0.9 C\C=C(/C)\C=C\C(=O)O WX610042 [1,0,1,0,0,0|1,0,0]=3 42 B8R1.4 Cc1cc(ccn1)O WX645022 [2,0,0,0,0,0|1,0,0]=3 43 B8R1.4 Cc1cc(cnc1)N WX609450 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.4 Cc1cc(cnc1)O WX649090 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.4 Cc1cc(ncn1)O WX645020 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.4 Cc1cccc(c1)O WX645080 [2,0,0,0,0,0|0,0,0]=2 47 B8R1.4 Cc1cccc(n1)Br WX637312 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.4 Cc1cccc(n1)O WX649098 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.4 Cc1ccnc(c1)Cl WX636229 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.4 Cc1ccnc(c1)O WX649095 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.4 Cc1ccnc(n1)O WX619017 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.4 Cc1nccc(n1)O WX645021 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.4 c1c(cncc1F)O WX649045 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.4 c1cc(nc(c1)Br)O WXC02241 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.4 c1cnc(cc1Cl)O WX636064 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.5 Cc1c(cccn1)N WX609161 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.5 Cc1c(cccn1)O WX649093 [2,0,0,0,0,0|1,0,0]=3 58 B8R1.5 Cc1ccccc1O WX645081 [2,0,0,0,0,0|0,0,0]=2 59 B8R1.5 Cc1cccnc1Cl WX636230 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.5 Cc1cccnc1O WX649097 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.5 Cc1ccncc1N WX609452 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.5 Cc1ccncc1O WX649091 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.5 Cc1cnccc1Br WX637039 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.5 Cc1cnccc1Cl WX609160 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.5 Cc1cnccc1O WX645018 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.5 Cc1cncnc1O WX649072 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 c1cncc(c1N)O WX609099 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 c1cncc(c1O)N WX609105 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.3 Cc1ccc(cc1)O WX645079 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.3 Cc1ccc(cn1)N WX609427 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.3 Cc1ccc(cn1)O WX649092 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.3 Cc1ccc(nc1)Br WX637311 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.3 Cc1ccc(nc1)O WX649096 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.2 COc1cccc(c1O)F WX645094 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.2 Cc1c(cccc1Br)CO WXC02559 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.2 Cc1c(cncc1Br)CO WXC00312 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.2 c1cc(c(c(c1)Br)F)CO WXC00439 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.2 c1cc(c(c(c1)F)N)CO WXC02099 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.22 Cc1c(cc(cc1N)Br)N WXC03172 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.22 Cc1cc(=O)c(c([nH]1)C)C WXC03673 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.22 Cc1cc(c(c(c1)O)I)O WX645086 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.22 Cc1cc(cc(=O)n1C)O WX649032 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.22 Cc1cc(cc(c1Br)O)O WX633179 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.22 Cc1cc(cc(c1I)O)Cl WX645038 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.22 Cc1cc(cc(c1N)Br)Br WX602211 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.22 Cc1cc(nc(c1Br)C)C WXC04384 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.245 COc1c(cccc1Br)O WXC02342 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.245 COc1c(cccc1Cl)F WX633170 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.245 Cc1cccc(c1C#N)F WX683311 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.245 c1cc(c(c(c1)Br)CN)F WXC04457 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.245 c1cc(c(c(c1)Br)CO)F WX640088 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.25 CNc1ccc(cc1Br)F WX633219 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.25 COc1ccc(cc1O)O WX645051 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.25 Cc1cc(cnc1NC)Br WX637137 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.25 Cc1ccc(c(c1)F)C#N WX636059 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.25 c1cc(c(cc1Br)I)CBr WX630085 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.25 c1cc(c(cc1Br)O)C=O WX622075 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.25 c1cc(c(cc1Br)O)CO WXC01145 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.25 c1cc(c(cc1F)O)C=O WX622072 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.30 CCc1cc(ccc1Br)O WX633044 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.30 CCc1cc(ccc1O)F WX645008 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.30 Cc1ccc(c(c1)C=O)Br WX622040 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.30 Cc1ccc(c(c1)OC)Cl WX632007 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.30 Cc1ccc(c(n1)CO)O WX640367 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.30 Cc1ccc(cc1C#N)Br WX633119 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.30 c1cc(c(cc1Br)CN)F WXC00357 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.30 c1cc(c(cc1Br)CO)O WXC01146 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.176 Cc1cc(cnc1C)C#N WX683521 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.176 Cc1ccc(cc1C)CN WX603058 [1,1,0,0,0,0|0,0,0]=2 110 B10R1.176 Cc1ccc(cc1C)CN WX603165 [1,1,0,0,0,0|0,0,0]=2 111 B10R1.176 c1cc(c(cc1C=O)O)I WX622029 [1,1,0,0,0,0|1,0,1]=4 112 B10R1.176 c1cc(c(cc1CN)F)Cl WX603025 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.741 COc1c(ccc(c1OC)I)I WXC02222 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.894 B(c1c(ccc(c1F)C)Br)(O)O WX650087 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.894 Cc1ccc(c(c1C(=O)O)N)F WX612153 [0,2,0,0,0,0|2,0,0]=4 116 B12R2.82 Cc1ccc2c(c1O)cc[nH]2 WX645017 [0,1,0,1,0,0|0,0,2]=4