0 B9R1.8 c1ccc(cc1)CNN CM14002 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.8 c1ccc(cc1)CNO CM10002 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 COc1cccnc1 CM10357 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.1 Cc1ccc(cc1)CC#N CM13728 [0,1,0,0,0,0|0,0,2]=3 4 B10R1.1 c1cc(ccc1CC#N)F CM13705 [0,1,0,0,0,0|0,0,2]=3 5 B10R1.1 c1cc(ccc1CCBr)Cl CM13503 [0,1,0,0,0,0|1,0,0]=2 6 B10R1.1 c1cc(ccc1CCBr)F CM13509 [0,1,0,0,0,0|1,0,0]=2 7 B10R1.1 c1cc(ccc1CCCl)Cl CM13502 [0,1,0,0,0,0|1,0,0]=2 8 B10R1.1 c1cc(ccc1CCO)Cl CM13495 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.1 c1cc(ccc1CCO)F CM13508 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.1 c1cc(ccc1CCO)O CM10966 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.1 c1cc(ccc1N=C=O)F CM13772 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.1 c1cc(ccc1N=C=S)F CM13773 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.4 CCOc1cnccc1N CM10330 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.4 c1ccc(c(c1)C=NO)F CM12025 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.4 c1ccc(c(c1)CC#N)N CM13645 [0,1,0,0,0,0|0,0,2]=3 16 B10R1.4 c1ccc(c(c1)CCO)Br CM13494 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.10 c1cc(cc(c1)Br)CC#N CM13649 [0,1,0,0,0,0|0,0,2]=3 18 B10R1.10 c1cc(cc(c1)F)CC#N CM13701 [0,1,0,0,0,0|0,0,2]=3 19 B10R1.10 c1cc(cc(c1)F)CCN CM13556 [0,1,0,0,0,0|0,0,0]=1 20 B10R1.10 c1cc(cc(c1)F)CCO CM13507 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.10 c1cc(cc(c1)N)CC#N CM13646 [0,1,0,0,0,0|0,0,2]=3 22 B10R1.10 c1cc(cc(c1)N)CCO CM10010 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.10 c1cc(cc(c1)O)CNN CM14001 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.15 CCC(C)c1ccccc1 CM12120 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.15 c1ccc(cc1)C(=O)CF CM11196 [0,1,0,0,0,0|1,0,1]=3 26 B10R1.15 c1ccc(cc1)C(C#N)N CM11081 [0,1,0,0,0,0|0,0,2]=3 27 B10R2.7 c1c[nH]c2c1ccnc2 CM14075 [0,0,0,1,0,0|1,0,2]=4 28 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [0,0,0,1,0,0|1,0,2]=4 29 B10R2.7 c1cc2c(cc[nH]2)nc1 CM14073 [0,0,0,1,0,0|1,0,2]=4 30 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [0,0,0,1,0,0|1,0,2]=4 31 B10R2.7 c1cc2cn[nH]c2nc1 CM10820 [0,0,0,1,0,0|2,0,1]=4 32 B10R2.7 c1ccc2c(c1)CNC2 CM10320 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.3 c1cc(cnc1)F CM13853 [2,0,0,0,0,0|2,0,0]=4 34 B7R1.3 c1ccnc(c1)Cl CM13847 [2,0,0,0,0,0|2,0,0]=4 35 B7R1.3 c1cncnc1N CM10689 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.1 CCc1ccc(cc1)F CM10050 [1,1,0,0,0,0|0,0,0]=2 37 B9R1.1 CCc1ccc(cn1)Br CM10444 [1,1,0,0,0,0|1,0,0]=3 38 B9R1.1 CCc1ncc(cn1)Br CM10686 [1,1,0,0,0,0|2,0,0]=4 39 B9R1.1 CNc1ccc(cc1)I CM11495 [1,1,0,0,0,0|1,0,0]=3 40 B9R1.1 COc1ccc(cc1)F CM11749 [1,1,0,0,0,0|1,0,0]=3 41 B9R1.1 COc1ccc(nc1)Br CM10454 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.1 c1cc(ccc1C#N)Cl CM12995 [1,1,0,0,0,0|0,0,2]=4 43 B9R1.1 c1cc(ccc1C#N)I CM13127 [1,1,0,0,0,0|0,0,2]=4 44 B9R1.1 c1cc(ccc1C=O)F CM11946 [1,1,0,0,0,0|1,0,1]=4 45 B9R1.1 c1cc(ccc1C=O)I CM11996 [1,1,0,0,0,0|1,0,1]=4 46 B9R1.1 c1cc(ccc1CCl)F CM13407 [1,1,0,0,0,0|1,0,0]=3 47 B9R1.1 c1cc(ccc1CO)F CM13405 [1,1,0,0,0,0|1,0,0]=3 48 B9R1.1 c1cc(ccc1CO)N CM13264 [1,1,0,0,0,0|1,0,0]=3 49 B9R1.1 c1cc(ccc1NN)F CM13799 [1,1,0,0,0,0|1,0,0]=3 50 B9R1.2 CCc1cccc(c1)Br CM12087 [1,1,0,0,0,0|0,0,0]=2 51 B9R1.2 CCc1cccc(c1)N CM11452 [1,1,0,0,0,0|0,0,0]=2 52 B9R1.2 CNc1cccc(c1)O CM10115 [1,1,0,0,0,0|1,0,0]=3 53 B9R1.2 COc1cc(ccn1)Br CM10671 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.2 CSc1cccc(n1)Br CM10114 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.2 Cc1cccc(c1)CF CM13445 [1,1,0,0,0,0|1,0,0]=3 56 B9R1.2 c1cc(cc(c1)F)C#N CM13067 [1,1,0,0,0,0|0,0,2]=4 57 B9R1.2 c1cc(cc(c1)I)CBr CM13435 [1,1,0,0,0,0|1,0,0]=3 58 B9R1.2 c1cc(cc(c1)I)CN CM10968 [1,1,0,0,0,0|0,0,0]=2 59 B9R1.2 c1cnc(cc1CO)N CM14035 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.6 c1cc(c[nH+]c1)C(=N)N CM13840 [1,1,0,0,0,0|1,0,1]=4 61 B9R1.6 c1ccnc(c1)C(=N)N CM13839 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.15 CCc1c(cccn1)Br CM10670 [1,1,0,0,0,0|1,0,0]=3 63 B9R1.15 CNc1ccncc1N CM14025 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.15 COc1cccnc1Br CM14120 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.15 COc1cccnc1N CM10903 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.15 COc1cnccc1N CM10329 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.15 CSc1ccccc1I CM11822 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.15 c1ccc(c(c1)C#N)F CM13066 [1,1,0,0,0,0|0,0,2]=4 69 B9R1.15 c1ccc(c(c1)C#N)I CM13126 [1,1,0,0,0,0|0,0,2]=4 70 B9R1.15 c1ccc(c(c1)C=O)I CM11995 [1,1,0,0,0,0|1,0,1]=4 71 B9R1.15 c1ccc(c(c1)CBr)Cl CM13308 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.15 c1ccc(c(c1)CCl)F CM13406 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.15 c1ccc(c(c1)CN)F CM13538 [1,1,0,0,0,0|0,0,0]=2 74 B9R1.15 c1ccc(c(c1)NN)Br CM13792 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.1 c1cc(ccc1CN=C=O)F CM13788 [0,2,0,0,0,0|1,0,1]=4 76 B11R1.1 c1cc(ccc1OCCBr)Cl CM12086 [0,2,0,0,0,0|1,0,0]=3 77 B11R1.20 CC(=O)Cc1ccc(cc1)Cl CM10951 [0,2,0,0,0,0|1,0,1]=4 78 B11R1.20 CC(=O)Cc1ccc(cc1)F CM10927 [0,2,0,0,0,0|1,0,1]=4 79 B11R1.20 CC(C)Cc1ccc(cc1)Br CM12109 [0,2,0,0,0,0|1,0,0]=3 80 B11R1.20 CC(C)Oc1ccc(cc1)N CM11503 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.20 c1cc(ccc1CC(=O)O)F CM13704 [0,2,0,0,0,0|1,0,1]=4 82 B11R1.22 c1cc(ccc1C(=O)CBr)Br CM11176 [0,2,0,0,0,0|1,0,1]=4 83 B11R1.22 c1cc(ccc1C(=O)CBr)Cl CM11135 [0,2,0,0,0,0|1,0,1]=4 84 B11R1.22 c1cc(ccc1C(=O)CBr)F CM11141 [0,2,0,0,0,0|1,0,1]=4 85 B11R1.22 c1cc(ccc1C(=O)CN)Br CM11121 [0,2,0,0,0,0|0,0,1]=3 86 B11R1.22 c1cc(ccc1C(=O)NN)Cl CM13812 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.22 c1cc(ccc1C(CO)O)Br CM10185 [0,2,0,0,0,0|1,0,0]=3 88 B11R1.81 c1cc(c(cc1Br)Br)CC#N CM13688 [0,2,0,0,0,0|0,0,2]=4 89 B11R1.81 c1cc(c(cc1Br)F)CC#N CM13656 [0,2,0,0,0,0|0,0,2]=4 90 B11R1.81 c1cc(c(cc1Cl)F)CC#N CM13671 [0,2,0,0,0,0|0,0,2]=4 91 B11R1.81 c1cc(c(cc1F)F)CC#N CM13691 [0,2,0,0,0,0|0,0,2]=4 92 B11R1.83 CCOc1ccc(cc1)CO CM13402 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.192 CCOc1ccc(c(c1)N)N CM11707 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.192 COCc1ccc(c(c1)F)Br CM13295 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.192 c1cc(c(cc1CC#N)Br)F CM13654 [0,2,0,0,0,0|0,0,2]=4 96 B11R1.192 c1cc(c(cc1CC#N)F)Br CM13657 [0,2,0,0,0,0|0,0,2]=4 97 B11R1.192 c1cc(c(cc1CC#N)F)Cl CM13674 [0,2,0,0,0,0|0,0,2]=4 98 B11R1.192 c1cc(c(cc1CC#N)F)F CM13692 [0,2,0,0,0,0|0,0,2]=4 99 B11R1.13 c1cc(c(c(c1)Cl)F)CC#N CM13666 [0,2,0,0,0,0|0,0,2]=4 100 B11R1.41 CCOc1ccccc1OC CM11747 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.86 CC(=O)Cc1ccccc1Cl CM10944 [0,2,0,0,0,0|1,0,1]=4 102 B11R1.86 CC(=O)Cc1ccccc1F CM10960 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.182 c1cc(c(cc1Cl)CC#N)Br CM13650 [0,2,0,0,0,0|0,0,2]=4 104 B11R1.222 CCC(C)c1ccccc1N CM11342 [0,2,0,0,0,0|1,0,0]=3 105 B11R1.23 CCC(=O)c1cccc(c1)N CM11248 [0,2,0,0,0,0|1,0,1]=4 106 B11R1.23 c1cc(cc(c1)O)C(=O)CBr CM11149 [0,2,0,0,0,0|1,0,1]=4 107 B11R1.24 c1cc(cc(c1)Cl)OCCBr CM12085 [0,2,0,0,0,0|1,0,0]=3 108 B11R1.34 c1c(cc(cc1Cl)Br)CC#N CM13651 [0,2,0,0,0,0|0,0,2]=4 109 B11R1.34 c1c(cc(cc1F)Cl)CC#N CM13668 [0,2,0,0,0,0|0,0,2]=4 110 B11R1.157 Cc1cccc(c1)CC(=O)O CM13725 [0,2,0,0,0,0|1,0,1]=4 111 B11R1.157 c1cc(cc(c1)F)CC(=O)O CM13703 [0,2,0,0,0,0|1,0,1]=4 112 B11R1.157 c1cc(cc(c1)I)CC(=O)O CM13719 [0,2,0,0,0,0|1,0,1]=4 113 B11R1.189 CCOc1cccc(c1)C=O CM11945 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.28 c1ccc(cc1)CNCC#N CM10278 [0,2,0,0,0,0|0,0,1]=3 115 B11R1.91 CC(=O)COc1ccccc1 CM11227 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.509 c1ccc(cc1)SC(F)(F)F CM12323 [0,2,0,0,0,0|2,0,0]=4 117 B11R2.34 c1cc(ncc1C2CC2)Br CM10127 [0,1,0,1,0,0|2,0,0]=4 118 B11R2.36 c1cc(cc2c1cc[nH]2)F CM13607 [0,1,0,1,0,0|0,0,2]=4 119 B11R2.36 c1cc2c(cc1Br)CCO2 CM10336 [0,1,0,1,0,0|1,0,0]=3 120 B11R2.36 c1cc2c(cc1Br)CNC2 CM10600 [0,1,0,1,0,0|2,0,0]=4 121 B11R2.36 c1cc2c(cc1Br)OCC2 CM10763 [0,1,0,1,0,0|1,0,0]=3 122 B11R2.36 c1cc2c(cc1Cl)CNC2 CM10601 [0,1,0,1,0,0|2,0,0]=4 123 B11R2.36 c1cc2c(cc1I)CCO2 CM10335 [0,1,0,1,0,0|1,0,0]=3 124 B11R2.36 c1cc2c(cc1I)cn[nH]2 CM10802 [0,1,0,1,0,0|1,0,1]=4 125 B11R2.36 c1cc2c(cc1N)CCO2 CM10334 [0,1,0,1,0,0|1,0,0]=3 126 B11R2.36 c1cc2c(cc1N)CNC2 CM10305 [0,1,0,1,0,0|2,0,0]=4 127 B11R2.36 c1cc2c(cc[nH]2)cc1F CM13606 [0,1,0,1,0,0|0,0,2]=4 128 B11R2.10 c1ccc2c(c1)CN(C2)N CM10313 [0,1,0,1,0,0|1,0,0]=3 129 B11R2.20 c1cncc2c1NCCC2 CM10439 [0,1,0,1,0,0|1,0,0]=3 130 B11R2.106 c1cc2c(c(c1)Br)CCN2 CM10331 [0,1,0,1,0,0|0,0,0]=2 131 B11R2.106 c1cc2c(c(c1)F)CCN2 CM13605 [0,1,0,1,0,0|0,0,0]=2 132 B11R2.106 c1cc2c(cc[nH]2)c(c1)F CM13604 [0,1,0,1,0,0|0,0,2]=4 133 B11R2.106 c1cc2cc[nH]c2c(c1)F CM13609 [0,1,0,1,0,0|0,0,2]=4 134 B11R2.35 c1c(cncc1Br)C2CC2 CM10133 [0,1,0,1,0,0|2,0,0]=4 135 B11R2.35 c1cc(nc(c1)Br)C2CC2 CM10128 [0,1,0,1,0,0|2,0,0]=4 136 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [0,1,0,1,0,0|1,0,1]=4 137 B11R2.1 Cn1c2ccccc2nn1 CM11059 [0,1,0,1,0,0|2,0,0]=4 138 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [0,1,0,1,0,0|1,0,1]=4 139 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [0,1,0,1,0,0|1,0,1]=4 140 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br CM10098 [0,1,0,1,0,0|1,0,1]=4