0 B12R1.16 CCOC(=O)c1cnc(nc1)N LS20015 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 c1cc(ccc1C(=O)CC#N)F LS10157 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.1 CCCCc1ccc(cc1)Br LS11195 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.16 CCOC(=O)c1cccnc1 LS00014 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.22 COC(=O)c1ccc(nc1)Cl LS20217 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.22 COC(=O)c1ccc(nc1)N LS20441 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.22 COC(=O)c1cnc(nc1)Cl LS20786 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.22 Cc1ccc(cn1)C(=O)OC LS20731 [1,0,0,0,0,0|2,0,0]=3 8 B11R1.22 c1cc(ccc1C(=O)CN)Br LS11597 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.22 c1cc(ccc1C(=O)NN)Cl LS11767 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.17 c1cc(ccc1C(=O)CCCCl)F LS41348 [0,1,0,0,0,0|2,0,0]=3 11 B13R2.5187 c1cc2c(cc1Cl)C(=O)OC2=O LS11768 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O LS10169 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.15 CCOC(=O)c1cc(c[nH]1)C LS40876 [0,0,0,0,1,0|2,0,0]=3 14 B11R1.15 CCOC(=O)c1cc(n[nH]1)C LS20808 [0,0,0,0,1,0|3,0,0]=4 15 B11R1.15 CCOC(=O)c1cnc(s1)Br LS20215 [0,0,0,0,1,0|3,0,0]=4 16 B11R1.15 CCOC(=O)c1coc(n1)N LS20701 [0,0,0,0,1,0|2,0,0]=3 17 B10R1.1 CCOc1ccc(cn1)Br LS20352 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.1 c1cc(ccc1CCN)N LS10602 [2,0,0,0,0,0|1,0,1]=4 19 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.15 COC(=O)c1cccnc1 LS20584 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.13 B(c1ccc(cc1)N)(O)O LS10039 [2,0,0,0,0,0|1,0,1]=4 26 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [2,0,0,0,0,0|0,0,0]=2 29 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.13 c1c(cnc(n1)N)C(=O)O LS20168 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [2,0,0,0,0,0|1,0,0]=3 35 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [2,0,0,0,0,0|1,0,0]=3 36 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.17 CCOC(=O)c1cc(cnc1)Br LS20216 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.17 CCOC(=O)c1cccc(n1)N LS20771 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.17 CCOC(=O)c1ccnc(c1)Br LS20069 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.308 CCOC(=O)c1ccccc1Cl LS10629 [1,1,0,0,0,0|0,0,0]=2 45 B12R1.308 CCOC(=O)c1cccnc1C LS21134 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.308 CCOC(=O)c1ccncc1N LS20034 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.5 COC(=O)c1ccc(cc1)C#C LS10765 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.5 COC(=O)c1ccc(cc1)CBr LS10680 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.5 COc1ccc(cc1)C(=O)CBr LS11455 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.5 c1cc(ccc1C#N)C(=O)CBr LS11692 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.20 c1cc(ccc1C(=O)C(O)O)Br LS10179 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.367 COC(=O)c1ccc(c(c1)Br)I LS11500 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.367 COC(=O)c1ccc(c(c1)Br)O LS11732 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.367 Cc1ccc(cc1I)C(=O)OC LS10763 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.367 c1cc(c(cc1C(=O)CCl)F)F LS10703 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.1703 COC(=O)c1ccc(cc1F)Br LS11210 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.1703 COC(=O)c1ccc(cc1F)F LS11835 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.1703 COC(=O)c1ccc(cc1O)O LS10726 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br LS20025 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.312 CCOC(=O)c1cc(c[nH]1)C=O LS40878 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.312 CCOC(=O)c1ccc([nH]1)C=O LS40877 [0,1,0,0,1,0|2,0,0]=4 62 B14R1.610 B(c1ccc(cc1)C(=O)OCC)(O)O LS10886 [0,2,0,0,0,0|1,0,0]=3 63 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 LS40612 [1,0,0,1,0,0|2,0,0]=4 64 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br LS40549 [1,0,0,1,0,0|1,0,0]=3 65 B12R2.612 c1cc2c(cc1Br)COC2=O LS40024 [1,0,0,1,0,0|1,0,0]=3 66 B12R2.612 c1cc2c(cc1Cl)CCC2=O LS00023 [1,0,0,1,0,0|1,0,0]=3 67 B12R2.612 c1cc2c(cc1F)CCC2=O LS20516 [1,0,0,1,0,0|1,0,0]=3 68 B12R2.612 c1cc2c(cc1O)CCC2=O LS40251 [1,0,0,1,0,0|1,0,0]=3 69 B12R2.612 c1cc2c(cc1O)OCC2=O LS21028 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.11 CCOC(=O)c1[nH]ccn1 LS20562 [1,0,0,0,1,0|2,0,0]=4 71 B10R1.11 CCOC(=O)c1ccc[nH]1 LS20212 [1,0,0,0,1,0|1,0,0]=3 72 B10R1.11 CCOC(=O)c1cnoc1 LS20145 [1,0,0,0,1,0|2,0,0]=4 73 B10R1.11 CCOC(=O)c1cocn1 LS20054 [1,0,0,0,1,0|2,0,0]=4 74 B10R1.14 COC(=O)c1cc(c[nH]1)Br LS20815 [1,0,0,0,1,0|2,0,0]=4 75 B14R1.502 CCOC(=O)C#Cc1ccc(cc1)Cl LS10147 [0,0,0,0,0,2|1,0,0]=3 76 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)Cl LS10205 [0,0,0,0,0,2|1,0,0]=3