0 B11R2.10 Cc1cn2ccccc2n1 CM10614 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.10 c1ccc2c(c1)CN(C2)N CM10313 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.10 c1cncc2c1sc(n2)N CM10620 [0,0,0,0,0,0|2,1,0]=3 3 B10R2.7 c1c[nH]c2c1ccnc2 CM14075 [1,0,0,0,0,0|2,0,1]=4 4 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [1,0,0,0,0,0|2,0,1]=4 5 B10R2.7 c1cc2c(cc[nH]2)nc1 CM14073 [1,0,0,0,0,0|2,0,1]=4 6 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [1,0,0,0,0,0|2,0,1]=4 7 B10R2.7 c1ccc2c(c1)CNC2 CM10320 [1,0,0,0,0,0|3,0,0]=4 8 B10R2.7 c1ccn2cccc2c1 CM10848 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 CM10169 [0,1,0,0,0,0|2,0,1]=4 10 B12R2.18 Cn1c2ccccc2oc1=O CM14408 [0,1,0,0,0,0|1,0,1]=3 11 B12R2.32 c1ccc2c(c1)nc(s2)CCl CM14325 [0,1,0,0,0,0|0,1,0]=2 12 B12R2.95 c1ccc2c(c1)OC(O2)(F)F CM14007 [0,1,0,0,0,0|2,0,1]=4 13 B12R2.202 Cc1cn2c(n1)cccc2Br CM10609 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 CM14303 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 CM14308 [0,1,0,0,0,0|2,0,1]=4 16 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 CM14306 [0,1,0,0,0,0|2,0,1]=4 17 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 CM14365 [0,1,0,0,0,0|2,0,1]=4 18 B12R2.202 c1cc2c(c(c1)F)sc(n2)N CM13864 [0,1,0,0,0,0|1,1,0]=3 19 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br CM13592 [0,1,0,0,0,0|1,0,1]=3 20 B12R2.606 Cc1cc2cc(ccc2[nH]1)F CM13612 [0,1,0,0,0,0|1,0,1]=3 21 B12R2.606 Cc1cc2ccc(cc2[nH]1)F CM13613 [0,1,0,0,0,0|1,0,1]=3 22 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 CM14289 [0,1,0,0,0,0|2,0,1]=4 23 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 CM14364 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.606 c1cc2c(cc1Br)nc([nH]2)N CM10544 [0,1,0,0,0,0|2,0,0]=3 25 B12R2.606 c1cc2c(cc1Br)nc(o2)N CM10622 [0,1,0,0,0,0|1,0,0]=2 26 B12R2.606 c1cc2c(cc1Br)sc(n2)Cl CM14356 [0,1,0,0,0,0|1,1,0]=3 27 B12R2.606 c1cc2c(cc1F)NC(=O)C2 CM14302 [0,1,0,0,0,0|2,0,1]=4 28 B12R2.606 c1cc2c(cc1F)nc(s2)N CM13863 [0,1,0,0,0,0|1,1,0]=3 29 B10R1.4 CCOc1cnccc1N CM10330 [0,0,1,0,0,0|1,0,2]=4 30 B12R2.24 c1cc2c(ccc(n2)O)nc1 CM10314 [0,0,0,0,0,1|3,0,0]=4 31 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [0,0,0,0,0,1|2,0,0]=3 32 B9R1.8 c1ccc(cc1)CNO CM10002 [1,0,1,0,0,0|2,0,0]=4 33 B9R1.15 COc1cccnc1Br CM14120 [1,0,1,0,0,0|2,0,0]=4 34 B9R1.15 COc1cccnc1N CM10903 [1,0,1,0,0,0|1,0,1]=4 35 B9R1.15 COc1cnccc1N CM10329 [1,0,1,0,0,0|1,0,1]=4 36 B9R1.15 CSc1ccccc1I CM11822 [1,0,1,0,0,0|1,1,0]=4 37 B9R1.15 c1ccc(c(c1)C=O)I CM11995 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.41 CCOc1ccccc1OC CM11747 [0,1,1,0,0,0|1,0,1]=4 39 B11R1.86 CC(=O)Cc1ccccc1Cl CM10944 [0,1,1,0,0,0|2,0,0]=4 40 B11R1.86 CC(=O)Cc1ccccc1F CM10960 [0,1,1,0,0,0|2,0,0]=4 41 B11R1.20 CC(=O)Cc1ccc(cc1)Cl CM10951 [0,1,1,0,0,0|1,0,1]=4 42 B11R1.20 CC(=O)Cc1ccc(cc1)F CM10927 [0,1,1,0,0,0|1,0,1]=4 43 B11R1.20 CC(=O)Oc1ccc(cc1)F CM12027 [0,1,1,0,0,0|1,0,0]=3 44 B11R1.20 CC(C)Oc1ccc(cc1)N CM11503 [0,1,1,0,0,0|1,0,1]=4 45 B11R1.20 c1cc(ccc1CC(=O)O)F CM13704 [0,1,1,0,0,0|2,0,0]=4 46 B11R1.157 Cc1cccc(c1)CC(=O)O CM13725 [0,1,1,0,0,0|2,0,0]=4 47 B11R1.157 c1cc(cc(c1)F)CC(=O)O CM13703 [0,1,1,0,0,0|2,0,0]=4 48 B11R1.157 c1cc(cc(c1)I)CC(=O)O CM13719 [0,1,1,0,0,0|2,0,0]=4 49 B11R2.1 Cn1c2ccccc2nn1 CM11059 [1,1,0,0,0,0|2,0,0]=4 50 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [1,1,0,0,0,0|1,0,0]=3 51 B11R2.1 c1ccc2c(c1)c(no2)Cl CM10136 [1,1,0,0,0,0|2,0,0]=4 52 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [1,1,0,0,0,0|2,0,0]=4 53 B11R2.36 Cc1ccc2c(c1)cco2 CM10745 [1,1,0,0,0,0|1,0,0]=3 54 B11R2.36 Cc1ccc2ccsc2c1 CM10722 [1,1,0,0,0,0|1,1,0]=4 55 B11R2.36 c1cc(cc2c1cc[nH]2)F CM13607 [1,1,0,0,0,0|1,0,1]=4 56 B11R2.36 c1cc(cc2c1cco2)Br CM10729 [1,1,0,0,0,0|1,0,0]=3 57 B11R2.36 c1cc(cc2c1cco2)O CM10757 [1,1,0,0,0,0|1,0,0]=3 58 B11R2.36 c1cc(cc2c1ccs2)Br CM10504 [1,1,0,0,0,0|1,1,0]=4 59 B11R2.36 c1cc(nc2c1nco2)Br CM10094 [1,1,0,0,0,0|1,0,0]=3 60 B11R2.36 c1cc2c(cc1Br)CCO2 CM10336 [1,1,0,0,0,0|1,0,1]=4 61 B11R2.36 c1cc2c(cc1Br)OCC2 CM10763 [1,1,0,0,0,0|1,0,1]=4 62 B11R2.36 c1cc2c(cc1I)CCO2 CM10335 [1,1,0,0,0,0|1,0,1]=4 63 B11R2.36 c1cc2c(cc1N)CCO2 CM10334 [1,1,0,0,0,0|1,0,1]=4 64 B11R2.36 c1cc2c(cc1N)scn2 CM14358 [1,1,0,0,0,0|0,1,0]=3 65 B11R2.36 c1cc2c(cc[nH]2)cc1F CM13606 [1,1,0,0,0,0|1,0,1]=4 66 B11R2.36 c1cc2c(cco2)cc1Br CM10728 [1,1,0,0,0,0|1,0,0]=3 67 B11R2.36 c1cc2c(cco2)cc1Cl CM10740 [1,1,0,0,0,0|1,0,0]=3 68 B11R2.36 c1cc2c(cco2)cc1F CM10741 [1,1,0,0,0,0|1,0,0]=3 69 B11R2.36 c1cc2c(ccs2)cc1Br CM10617 [1,1,0,0,0,0|1,1,0]=4 70 B11R2.106 Cc1cccc2c1ccs2 CM10545 [1,1,0,0,0,0|1,1,0]=4 71 B11R2.106 Cc1cccc2c1occ2 CM10746 [1,1,0,0,0,0|1,0,0]=3 72 B11R2.106 c1cc(c2c(c1)ocn2)N CM10312 [1,1,0,0,0,0|0,0,0]=2 73 B11R2.106 c1cc(c2ccoc2c1)O CM10739 [1,1,0,0,0,0|1,0,0]=3 74 B11R2.106 c1cc(c2ccsc2c1)F CM10724 [1,1,0,0,0,0|1,1,0]=4 75 B11R2.106 c1cc2c(cc[nH]2)c(c1)F CM13604 [1,1,0,0,0,0|1,0,1]=4 76 B11R2.106 c1cc2c(ccs2)c(c1)Br CM10723 [1,1,0,0,0,0|1,1,0]=4 77 B11R2.106 c1cc2cc[nH]c2c(c1)F CM13609 [1,1,0,0,0,0|1,0,1]=4 78 B11R2.106 c1cc2ccoc2c(c1)Br CM10530 [1,1,0,0,0,0|1,0,0]=3 79 B11R2.106 c1cc2ccoc2c(c1)Cl CM10751 [1,1,0,0,0,0|1,0,0]=3 80 B11R2.106 c1cc2ccoc2c(c1)F CM10752 [1,1,0,0,0,0|1,0,0]=3 81 B11R2.106 c1cnc(c2c1occ2)Cl CM14121 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.32 c1ccc2c(c1)cnc(c2Br)N CM10321 [0,1,0,0,0,1|2,0,0]=4 83 B13R2.57 c1ccc2cc(ccc2c1)CCl CM13877 [0,1,0,0,0,1|2,0,0]=4 84 B13R2.155 c1cc(cc2c1ccc(n2)Cl)Br CM10598 [0,1,0,0,0,1|2,0,0]=4 85 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 CM10241 [0,1,0,0,0,1|1,0,1]=4 86 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 CM10219 [0,1,0,0,0,1|1,0,1]=4 87 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 CM10579 [0,1,0,0,0,1|1,0,1]=4 88 B13R2.162 c1cc2c(c(c1)F)NC(=O)CO2 CM10140 [0,1,0,0,0,1|1,0,1]=4 89 B13R2.162 c1cc2ccc(nc2c(c1)Br)N CM10275 [0,1,0,0,0,1|2,0,0]=4 90 B13R2.328 Cc1cc2ccccc2c(n1)O CM10269 [0,1,0,0,0,1|1,0,0]=3 91 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N CM10156 [0,1,0,0,0,1|2,0,0]=4 92 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br CM10588 [0,1,0,0,0,1|2,0,0]=4 93 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Cl CM10367 [0,1,0,0,0,1|2,0,0]=4 94 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl CM14418 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.328 c1ccc2c(c1)c(nc(n2)N)O CM10369 [0,1,0,0,0,1|2,0,0]=4 96 B13R2.328 c1ccc2c(c1)c(nc(n2)O)O CM14472 [0,1,0,0,0,1|2,0,0]=4 97 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)Cl CM13920 [0,1,0,0,0,1|2,0,0]=4 98 B13R2.3683 c1cc2c(cc1Br)COC(=O)N2 CM14341 [0,1,0,0,0,1|1,0,1]=4 99 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 CM10088 [0,1,0,0,0,1|1,0,1]=4 100 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 CM10308 [0,1,0,0,0,1|1,0,1]=4 101 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 CM10298 [0,1,0,0,0,1|1,0,1]=4 102 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 CM10584 [0,1,0,0,0,1|1,0,1]=4 103 B13R2.5179 c1cc2c(ccc(n2)N)c(c1)Br CM10587 [0,1,0,0,0,1|2,0,0]=4 104 B13R2.5179 c1cc2cc(cnc2c(c1)Br)I CM10183 [0,1,0,0,0,1|2,0,0]=4 105 B13R2.135 Cc1c(n2ccccc2n1)C=O CM10613 [0,2,0,0,0,0|2,0,0]=4 106 B13R2.3028 Cc1c(n2cc(ccc2n1)Br)C CM10615 [0,2,0,0,0,0|2,0,0]=4 107 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC CM13615 [0,2,0,0,0,0|1,0,1]=4 108 B9R1.6 c1cc(c[nH+]c1)C(=N)N CM13840 [0,0,1,0,1,0|2,0,0]=4 109 B9R1.6 c1ccnc(c1)C(=N)N CM13839 [0,0,1,0,1,0|2,0,0]=4 110 B11R1.91 CC(=O)COc1ccccc1 CM11227 [0,0,1,0,0,1|1,0,0]=3