0 B8R1.2 COc1cccnc1 CM10357 [0,0,0,0,0,0|1,1,0]=2 1 B7R1.3 c1c(cncn1)Br CM14047 [1,0,0,0,0,0|3,0,0]=4 2 B7R1.3 c1cc(cnc1)F CM13853 [1,0,0,0,0,0|2,0,0]=3 3 B7R1.3 c1ccnc(c1)Cl CM13847 [1,0,0,0,0,0|2,0,0]=3 4 B7R1.3 c1cnc(nc1)Br CM14046 [1,0,0,0,0,0|3,0,0]=4 5 B7R1.3 c1cnc(nc1)Cl CM14045 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.3 c1cnc(nc1)I CM14295 [1,0,0,0,0,0|3,0,0]=4 7 B7R1.3 c1cncnc1N CM10689 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 C=Cc1ccc(nc1)Br CM10147 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.1 CCc1ccc(cc1)F CM10050 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.1 CCc1ccc(cn1)Br CM10444 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.1 CCc1ncc(cn1)Br CM10686 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.1 CNc1ccc(cc1)I CM11495 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.1 COc1ccc(cc1)F CM11749 [0,1,0,0,0,0|2,1,0]=4 14 B9R1.1 COc1ccc(nc1)Br CM10454 [0,1,0,0,0,0|1,1,0]=3 15 B9R1.1 COc1cnc(nc1)Cl CM14296 [0,1,0,0,0,0|2,1,0]=4 16 B9R1.1 COc1ncc(cn1)Br CM14291 [0,1,0,0,0,0|2,1,0]=4 17 B9R1.1 Cc1ccc(nc1)C#N CM10108 [0,1,0,0,0,0|3,0,0]=4 18 B9R1.1 c1cc(ncc1C=O)Br CM13843 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.2 CCc1cccc(c1)Br CM12087 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.2 CCc1cccc(c1)N CM11452 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.2 CNc1cccc(c1)O CM10115 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.2 COc1cc(ccn1)Br CM10671 [0,1,0,0,0,0|1,1,0]=3 23 B9R1.2 COc1cc(ncn1)Br CM10842 [0,1,0,0,0,0|2,1,0]=4 24 B9R1.2 COc1cc(ncn1)I CM10843 [0,1,0,0,0,0|2,1,0]=4 25 B9R1.2 COc1cc(ncn1)N CM10847 [0,1,0,0,0,0|2,1,0]=4 26 B9R1.2 COc1cc(nnc1)O CM11073 [0,1,0,0,0,0|2,1,0]=4 27 B9R1.2 COc1ccnc(n1)Br CM10844 [0,1,0,0,0,0|2,1,0]=4 28 B9R1.2 COc1ccnc(n1)N CM10846 [0,1,0,0,0,0|2,1,0]=4 29 B9R1.2 COc1nccc(n1)N CM10845 [0,1,0,0,0,0|2,1,0]=4 30 B9R1.2 CSc1cccc(n1)Br CM10114 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.6 CN(C)c1cncnc1 CM10165 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.6 c1ccnc(c1)C(=N)N CM13839 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.15 CCc1c(cccn1)Br CM10670 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.15 COc1c(nccn1)N CM10653 [0,1,0,0,0,0|0,1,0]=2 35 B9R1.15 COc1cccnc1Br CM14120 [0,1,0,0,0,0|1,1,0]=3 36 B9R1.15 COc1cccnc1N CM10903 [0,1,0,0,0,0|1,1,0]=3 37 B9R1.15 COc1cnccc1N CM10329 [0,1,0,0,0,0|1,1,0]=3 38 B9R1.15 CSc1ccccc1I CM11822 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.15 Cc1ccncc1C=O CM10260 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.15 c1cncc(c1O)C#N CM10064 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.1 c1c(nc[nH]1)C#N CM14071 [0,0,0,0,1,0|2,0,1]=4 42 B7R1.1 c1c(nc[nH]1)C=O CM14068 [0,0,0,0,1,0|2,0,1]=4 43 B7R1.1 c1c[nH]nc1CCl CM10174 [0,0,0,0,1,0|3,0,0]=4 44 B7R1.1 c1cc([nH]c1)C=O CM13861 [0,0,0,0,1,0|2,0,1]=4 45 B8R1.3 Cc1ccc(=O)[nH]n1 CM11032 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.3 Cc1ccc(cn1)N CM14483 [1,1,0,0,0,0|1,0,0]=3 47 B8R1.3 Cc1ccc(nn1)Br CM11114 [1,1,0,0,0,0|2,0,0]=4 48 B8R1.3 Cc1ncc(cn1)Br CM10466 [1,1,0,0,0,0|2,0,0]=4 49 B8R1.3 c1c(ncc(n1)Br)F CM10435 [1,1,0,0,0,0|1,0,0]=3 50 B8R1.3 c1c(ncc(n1)Cl)Cl CM10433 [1,1,0,0,0,0|1,0,0]=3 51 B8R1.3 c1cc(ncc1Br)Br CM14111 [1,1,0,0,0,0|2,0,0]=4 52 B8R1.3 c1cc(ncc1Br)F CM14457 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.3 c1cc(ncc1F)Br CM14029 [1,1,0,0,0,0|2,0,0]=4 54 B8R1.3 c1cc(ncc1N)Cl CM13842 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.4 Cc1cccc(n1)Br CM14044 [1,1,0,0,0,0|1,0,0]=3 56 B8R1.4 Cc1ccnc(n1)Cl CM13850 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.4 c1c(cncc1Br)F CM14471 [1,1,0,0,0,0|2,0,0]=4 58 B8R1.4 c1c(cncc1Br)N CM14469 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.4 c1c(cncc1Br)O CM14470 [1,1,0,0,0,0|1,1,0]=4 60 B8R1.4 c1c(cncc1Cl)O CM10662 [1,1,0,0,0,0|1,1,0]=4 61 B8R1.4 c1c(cncc1F)O CM10665 [1,1,0,0,0,0|1,1,0]=4 62 B8R1.4 c1c(cncc1O)O CM10452 [1,1,0,0,0,0|1,1,0]=4 63 B8R1.4 c1cc(nc(c1)Br)O CM10270 [1,1,0,0,0,0|1,1,0]=4 64 B8R1.4 c1cnc(cc1Br)N CM14041 [1,1,0,0,0,0|2,0,0]=4 65 B8R1.4 c1cnc(cc1Cl)Cl CM14034 [1,1,0,0,0,0|2,0,0]=4 66 B8R1.4 c1cnc(cc1I)Cl CM14039 [1,1,0,0,0,0|2,0,0]=4 67 B8R1.4 c1cnc(cc1I)O CM10195 [1,1,0,0,0,0|1,1,0]=4 68 B8R1.4 c1cnc(cc1O)Br CM10678 [1,1,0,0,0,0|2,0,0]=4 69 B8R1.5 Cc1c(cccn1)N CM14488 [1,1,0,0,0,0|1,0,0]=3 70 B8R1.5 Cc1cccnc1Cl CM13849 [1,1,0,0,0,0|1,0,0]=3 71 B8R1.5 c1cc(c(nc1)N)N CM14021 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.5 c1cc(c(nc1)O)F CM10987 [1,1,0,0,0,0|1,1,0]=4 73 B8R1.5 c1cnc(c(n1)N)Br CM10652 [1,1,0,0,0,0|1,0,0]=3 74 B8R1.5 c1cnc(c(n1)N)O CM10654 [1,1,0,0,0,0|0,1,0]=3 75 B8R1.5 c1cncc(c1Cl)Cl CM10292 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.5 c1cncc(c1N)F CM10153 [1,1,0,0,0,0|2,0,0]=4 77 B8R1.5 c1cncc(c1N)N CM14022 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.3 CSc1ccc(cc1)CN CM13545 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.13 CC(=O)c1ccc(nc1)Cl CM11170 [0,2,0,0,0,0|2,0,0]=4 80 B10R1.25 COc1c(cc(cn1)Br)Br CM10171 [0,2,0,0,0,0|1,1,0]=4 81 B10R1.25 COc1c(cc(cn1)Br)F CM10081 [0,2,0,0,0,0|1,1,0]=4 82 B10R1.2 Cc1c(cccc1Cl)SC CM10023 [0,2,0,0,0,0|2,0,0]=4 83 B10R1.8 CSc1cc(cc(c1)Br)F CM10167 [0,2,0,0,0,0|2,0,0]=4 84 B10R1.8 CSc1cc(cc(c1)Br)O CM10825 [0,2,0,0,0,0|2,0,0]=4 85 B10R1.30 COc1c(ccc(n1)Br)N CM10431 [0,2,0,0,0,0|1,1,0]=4 86 B10R1.30 COc1c(ncc(n1)Br)Br CM10345 [0,2,0,0,0,0|0,1,0]=3 87 B10R1.30 COc1c(ncc(n1)Br)N CM10344 [0,2,0,0,0,0|0,1,0]=3 88 B10R1.30 COc1cc(cnc1Br)I CM10904 [0,2,0,0,0,0|1,1,0]=4 89 B10R1.30 COc1cc(cnc1I)I CM10902 [0,2,0,0,0,0|1,1,0]=4 90 B10R1.30 CSc1c(cnc(n1)Cl)Br CM10432 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.113 CC(=O)c1cc(ccn1)Cl CM10835 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.113 CC(C)c1cccc(n1)Br CM13845 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.113 CN(C)c1cc(ccn1)Br CM10673 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.113 CN(C)c1cccc(n1)Br CM10139 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.113 Cc1cncc(n1)C(=O)O CM14090 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.113 c1c(nc(cn1)Br)C(=O)O CM10659 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.113 c1c(nc(cn1)Cl)C(=O)O CM10658 [0,2,0,0,0,0|2,0,0]=4 98 B10R1.15 COC(=O)c1cccnc1 CM10959 [0,2,0,0,0,0|1,1,0]=4 99 B10R1.4 CCOc1cnccc1N CM10330 [0,2,0,0,0,0|1,1,0]=4 100 B10R1.20 CNc1c(cccn1)CO CM14403 [0,2,0,0,0,0|2,0,0]=4 101 B10R1.20 COc1cccnc1C#N CM14023 [0,2,0,0,0,0|1,1,0]=4 102 B10R1.245 CSc1c(cccc1Br)O CM10097 [0,2,0,0,0,0|2,0,0]=4 103 B6R1.2 Cc1cc[nH]n1 CM14373 [1,0,0,0,1,0|1,0,0]=3 104 B6R1.2 Cn1cnnc1 CM10040 [1,0,0,0,1,0|2,0,0]=4 105 B6R1.2 c1c(cn[nH]1)Br CM10025 [1,0,0,0,1,0|2,0,0]=4 106 B6R1.2 c1c(nc[nH]1)Br CM14070 [1,0,0,0,1,0|1,0,1]=4 107 B6R1.2 c1c(ncs1)Br CM10700 [1,0,0,0,1,0|2,0,0]=4 108 B6R1.2 c1c(scn1)Br CM10418 [1,0,0,0,1,0|2,0,0]=4 109 B6R1.2 c1c(scn1)I CM10701 [1,0,0,0,1,0|2,0,0]=4 110 B6R1.2 c1conc1N CM10019 [1,0,0,0,1,0|2,0,0]=4