0 B11R1.16 CCOC(=O)c1cccnc1 CM10029 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.15 CCC(C)c1ccccc1 CM12120 [1,0,0,0,0,0|1,0,1]=3 2 B10R1.15 COC(=O)c1cccnc1 CM10959 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.15 c1ccc(cc1)C(=O)CF CM11196 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.16 CCOC(=O)c1cnc(nc1)N CM10697 [0,1,0,0,0,0|2,0,0]=3 5 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl CM11249 [0,1,0,0,0,0|2,0,0]=3 6 B12R1.17 CCOC(=O)c1cc(=O)[nH]cn1 CM10222 [0,1,0,0,0,0|2,0,0]=3 7 B12R1.17 CCOC(=O)c1cc(cnc1)Br CM14116 [0,1,0,0,0,0|1,0,0]=2 8 B12R1.308 c1ccc(c(c1)C(=O)CC#N)F CM13161 [0,1,0,0,0,0|2,0,1]=4 9 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 CM10829 [0,0,0,1,0,0|2,0,0]=3 10 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 CM13881 [0,0,0,1,0,0|2,0,0]=3 11 B12R2.1081 c1ccc2c(c1)CCOC2=O CM10132 [0,0,0,1,0,0|0,0,0]=1 12 B12R2.2028 Cn1cc(c2c1cccc2)Br CM10604 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.11 CCOC(=O)c1c[nH]cn1 CM14066 [0,0,0,0,1,0|2,0,0]=3 14 B10R1.11 CCOC(=O)c1ccco1 CM10969 [0,0,0,0,1,0|1,0,0]=2 15 B9R1.6 c1cncnc1C(=O)O CM10263 [2,0,0,0,0,0|2,0,0]=4 16 B11R1.22 COC(=O)c1ccc(cc1)N CM12345 [1,1,0,0,0,0|0,0,0]=2 17 B11R1.22 COC(=O)c1cnc(cn1)O CM14417 [1,1,0,0,0,0|2,0,0]=4 18 B11R1.22 COC(=O)c1cnc(nc1)Br CM10434 [1,1,0,0,0,0|2,0,0]=4 19 B11R1.22 COC(=O)c1cnc(nc1)Cl CM14061 [1,1,0,0,0,0|2,0,0]=4 20 B11R1.22 COC(=O)c1cnc(nc1)N CM10696 [1,1,0,0,0,0|2,0,0]=4 21 B11R1.22 c1cc(ccc1C(=O)CBr)Br CM11176 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.22 c1cc(ccc1C(=O)CBr)Cl CM11135 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.22 c1cc(ccc1C(=O)CBr)F CM11141 [1,1,0,0,0,0|1,0,0]=3 24 B11R1.22 c1cc(ccc1C(=O)CN)Br CM11121 [1,1,0,0,0,0|1,0,0]=3 25 B11R1.22 c1cc(ccc1C(=O)NN)Cl CM13812 [1,1,0,0,0,0|2,0,0]=4 26 B11R1.23 CCC(=O)c1cccc(c1)N CM11248 [1,1,0,0,0,0|0,0,0]=2 27 B11R1.23 COC(=O)c1cccc(c1)I CM12817 [1,1,0,0,0,0|0,0,0]=2 28 B11R1.23 COC(=O)c1cccc(c1)N CM12344 [1,1,0,0,0,0|0,0,0]=2 29 B11R1.23 COC(=O)c1cccc(c1)O CM12802 [1,1,0,0,0,0|0,0,0]=2 30 B11R1.23 COC(=O)c1cncc(n1)Br CM10424 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.23 COC(=O)c1cncc(n1)Cl CM10425 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.23 c1cc(cc(c1)O)C(=O)CBr CM11149 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.222 CCC(C)c1ccccc1N CM11342 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.15 CCOC(=O)c1ccc([nH]1)Br CM10423 [0,1,0,0,1,0|1,0,0]=3 35 B11R1.15 CCOC(=O)c1coc(n1)Cl CM10352 [0,1,0,0,1,0|2,0,0]=4 36 B11R1.15 CCOC(=O)c1coc(n1)N CM10351 [0,1,0,0,1,0|2,0,0]=4 37 B13R1.19 CCOC(=O)Cc1ccc(cc1)C CM13729 [0,1,0,0,0,1|0,0,0]=2 38 B13R1.17 c1cc(ccc1C(=O)CCCCl)F CM10030 [0,2,0,0,0,0|1,0,0]=3 39 B13R1.21 CN(C(=O)c1ccc(cc1)F)OC CM13177 [0,2,0,0,0,0|2,0,0]=4 40 B13R1.1511 CCOC(=O)c1ccc(cc1F)Br CM12497 [0,2,0,0,0,0|0,0,0]=2 41 B13R1.1511 CCOC(=O)c1ccc(cc1F)C CM12759 [0,2,0,0,0,0|0,0,0]=2 42 B13R1.12 CCOC(=O)c1c(c(ncn1)Cl)Cl CM10221 [0,2,0,0,0,0|2,0,0]=4 43 B13R1.446 CCOC(=O)c1cc(ccc1Br)I CM12514 [0,2,0,0,0,0|0,0,0]=2 44 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Cl CM12641 [0,2,0,0,0,0|0,0,0]=2 45 B13R1.446 CCOC(=O)c1cc(ccc1F)O CM12715 [0,2,0,0,0,0|0,0,0]=2 46 B13R1.450 CCOC(=O)c1cc(cc(c1)O)O CM12692 [0,2,0,0,0,0|0,0,0]=2 47 B13R1.45 c1ccc(cc1)C(=O)CCC(=O)O CM11066 [0,2,0,0,0,0|1,0,1]=4 48 B11R1.189 CCOc1cccc(c1)C=O CM11945 [0,0,1,1,0,0|2,0,0]=4 49 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [1,0,0,1,0,0|1,0,0]=3 50 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [1,0,0,1,0,0|2,0,0]=4 51 B13R2.5179 c1cc2c(cc1Br)CCCC2=O CM10837 [0,1,0,1,0,0|1,0,0]=3 52 B13R2.5179 c1cc2c(cc1N)CCCC2=O CM10783 [0,1,0,1,0,0|1,0,0]=3 53 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O CM13827 [0,1,0,1,0,0|1,0,1]=4 54 B13R2.162 Cc1ccc2c(c1)C(=O)CCC2 CM10572 [0,1,0,1,0,0|1,0,0]=3 55 B13R2.162 c1cc2c(cc1Br)C(=O)CCN2 CM10830 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.162 c1cc2c(cc1Cl)C(=O)CCC2 CM10570 [0,1,0,1,0,0|1,0,0]=3 57 B13R2.162 c1cc2c(cc1I)C(=O)CCC2 CM10105 [0,1,0,1,0,0|1,0,0]=3 58 B13R2.162 c1cc2c(cc1N)C(=O)CCC2 CM10784 [0,1,0,1,0,0|1,0,0]=3 59 B13R2.162 c1cc2c(cc1O)C(=O)CCC2 CM10573 [0,1,0,1,0,0|1,0,0]=3 60 B13R2.342 Cc1cccc2c1CCCC2=O CM10571 [0,1,0,1,0,0|1,0,0]=3 61 B13R2.342 c1cc2c(c(c1)N)CCNC2=O CM10348 [0,1,0,1,0,0|1,0,0]=3 62 B13R2.4857 Cc1cccc2c1C(=O)OC2=O CM13829 [0,1,0,1,0,0|1,0,1]=4 63 B13R2.4857 c1cc2c(c(c1)F)C(=O)OC2=O CM13825 [0,1,0,1,0,0|1,0,1]=4