0 B9R1.41 CC(=O)c1c(ncs1)Br A2Z00050247 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.41 CC(=O)c1nncn1C A2Z00050364 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.41 Cc1c(cn[nH]1)C(=O)O A2Z00085440 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.41 Cc1c(ocn1)C(=O)O A2Z00049433 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.41 Cc1ccsc1C(=O)O A2Z00095998 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.41 Cn1c(ccn1)C(=O)O A2Z00096177 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.41 c1csc(c1O)C(=O)N A2Z00061416 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.7 CC(=O)c1cncs1 A2Z00085476 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.7 CC(c1cccs1)O A2Z00094291 [1,0,0,0,0,0|1,0,2]=4 10 B8R1.7 c1c(ncs1)C(=O)N A2Z00050185 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.7 c1c(ncs1)C(=O)O A2Z00061631 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.7 c1cc(sc1)C(=S)N A2Z00038399 [1,0,0,0,0,0|2,1,0]=4 15 B8R1.7 c1cnoc1C(=O)O A2Z00096002 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.11 Cc1c(c[nH]n1)C=O A2Z00095923 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.11 Cc1c(cn[nH]1)C=O A2Z00050363 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.11 Cc1c(ocn1)C=O A2Z00096249 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.11 Cn1ccnc1CCl A2Z00095914 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.11 Cn1ccnc1CN A2Z00061417 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.59 Cc1c(sc(n1)C)C(=O)C A2Z00095981 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.59 Cc1c(sc(n1)N)C(=O)C A2Z00062507 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.59 Cc1cc(oc1C(=O)C)C A2Z00096159 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.65 CC(C)(c1nccn1C)O A2Z00062224 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.149 COC(=O)c1c(ccs1)N A2Z00096109 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.149 COC(=O)c1c(ccs1)O A2Z00061415 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.149 Cc1ccsc1C(=O)OC A2Z00095997 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.192 Cc1coc(c1C(=O)O)C A2Z00096172 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.194 CC(C)c1cnc(n1C)S A2Z00085586 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.194 Cn1c(cnc1N)C(=O)O A2Z00069899 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.61 CC(=O)c1ccncc1F A2Z00096478 [0,0,0,0,0,1|2,0,0]=3 32 B10R1.61 Cc1ccccc1C(=O)N A2Z00085447 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.61 c1cc(c(=O)[nH]c1)C(=O)O A2Z00085542 [0,0,0,0,0,1|3,0,0]=4 34 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A2Z00050195 [0,0,0,0,0,1|3,0,0]=4 35 B10R1.61 c1ccc(c(c1)C(=O)N)O A2Z00062157 [0,0,0,0,0,1|3,0,0]=4 36 B10R1.61 c1ccc(c(c1)C(=O)O)Br A2Z00093939 [0,0,0,0,0,1|3,0,0]=4 37 B10R1.61 c1ccc(c(c1)C(=O)O)F A2Z00093478 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.61 c1ccc(c(c1)C(=O)O)I A2Z00093586 [0,0,0,0,0,1|3,0,0]=4 39 B10R1.61 c1ccc(c(c1)C(=O)O)N A2Z00070269 [0,0,0,0,0,1|3,0,0]=4 40 B10R1.61 c1ccc(c(c1)C(=O)O)O A2Z00038631 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.113 CC(=O)c1cccc(c1)Cl A2Z00095936 [0,0,0,0,0,1|2,0,0]=3 42 B10R1.113 Cc1cc(ccn1)C(=O)O A2Z00096178 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.113 Cc1cc(cnc1)C(=O)O A2Z00096067 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.113 c1cc(c[n+](c1)[O-])C(=O)N A2Z00098097 [0,0,0,0,0,1|2,0,1]=4 45 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A2Z00095909 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A2Z00095951 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.113 c1cc(cc(c1)F)C(=O)O A2Z00085462 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.113 c1cc(cc(c1)N)C(=O)O A2Z00083929 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.113 c1cc(nc(c1)Cl)C(=O)O A2Z00050531 [0,0,0,0,0,1|3,0,0]=4 50 B7R1.1 c1cc([nH]c1)CN A2Z00061420 [2,0,0,0,0,0|1,0,1]=4 51 B7R1.1 c1cscc1C=O A2Z00050189 [2,0,0,0,0,0|2,0,0]=4 52 B7R1.4 Cn1c(ccn1)N A2Z00050456 [2,0,0,0,0,0|2,0,0]=4 53 B7R1.4 Cn1c(ccn1)N A2Z00096015 [2,0,0,0,0,0|2,0,0]=4 54 B7R1.4 Cn1ccnc1N A2Z00070348 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.11 COC(=O)c1ccc[nH]1 A2Z00096428 [1,1,0,0,0,0|0,0,0]=2 56 B9R1.11 COC(=O)c1ccno1 A2Z00096471 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.11 c1cc(oc1)C(=O)NN A2Z00053062 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.11 c1cc(sc1)C(=O)CCl A2Z00057069 [1,1,0,0,0,0|1,0,0]=3 59 B9R1.11 c1cc(sc1)C(=O)NN A2Z00051543 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.35 CC(=O)c1ccc(o1)Br A2Z00062313 [1,1,0,0,0,0|1,0,0]=3 61 B9R1.35 c1c([nH][nH]c1=O)C(=O)O A2Z00050177 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.35 c1c([nH]nc1O)C(=O)O A2Z00050449 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.35 c1cc(oc1C(=O)O)Br A2Z00033998 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.35 c1cc(sc1C(=O)O)Cl A2Z00095939 [1,1,0,0,0,0|2,0,0]=4 65 B9R1.14 CCn1c(ncn1)C=O A2Z00050492 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.33 Cn1c(ccn1)N=C=O A2Z00050386 [1,1,0,0,0,0|1,0,1]=4 67 B9R1.33 Cn1cncc1CCN A2Z00095118 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.53 CC(=O)c1ccccc1OC A2Z00094520 [0,1,0,0,0,1|1,0,0]=3 69 B11R1.53 COc1ccccc1C(=O)O A2Z00093473 [0,1,0,0,0,1|2,0,0]=4 70 B11R1.166 CC(=O)c1ccc(cc1O)F A2Z00096274 [0,1,0,0,0,1|2,0,0]=4 71 B11R1.167 CC(=O)c1cc(ccc1Cl)O A2Z00049751 [0,1,0,0,0,1|2,0,0]=4 72 B11R1.167 CC(=O)c1cc(ccc1O)O A2Z00067510 [0,1,0,0,0,1|2,0,0]=4 73 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A2Z00093755 [0,1,0,0,0,1|2,0,0]=4 74 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A2Z00083135 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.222 CCC(=O)c1ccccc1Br A2Z00049411 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.222 CNC(=O)c1ccccc1N A2Z00046099 [0,1,0,0,0,1|2,0,0]=4 77 B11R1.222 COC(=O)c1ccccc1Cl A2Z00095996 [0,1,0,0,0,1|2,0,0]=4 78 B11R1.222 COC(=O)c1ccccc1F A2Z00096107 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.222 COC(=O)c1ccccc1N A2Z00096614 [0,1,0,0,0,1|2,0,0]=4 80 B11R1.222 COC(=O)c1ccccc1O A2Z00069275 [0,1,0,0,0,1|2,0,0]=4 81 B11R1.222 COC(=O)c1ccccc1S A2Z00096071 [0,1,0,0,0,1|2,0,0]=4 82 B11R1.222 Cc1ccccc1C(=O)OC A2Z00095993 [0,1,0,0,0,1|1,0,0]=3 83 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl A2Z00094298 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl A2Z00049750 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.21 Cc1cc(ccc1O)C(=O)C A2Z00094595 [0,1,0,0,0,1|1,0,0]=3 86 B11R1.21 Cc1ccc(cc1N)C(=O)C A2Z00048065 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O A2Z00083657 [0,1,0,0,0,1|1,0,0]=3 88 B11R1.21 Cn1cc(ccc1=O)[N+](=O)[O-] A2Z00094965 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.23 CN1CCC=C(C1)C(=O)OC A2Z00094132 [0,1,0,0,0,1|0,0,2]=4 90 B11R1.23 CN1CCC=C(C1)C(=O)OC A2Z00094858 [0,1,0,0,0,1|0,0,2]=4 91 B11R1.23 COC(=O)c1cccc(c1)N A2Z00095938 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.23 Cc1cccc(c1)C(=O)NN A2Z00014683 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr A2Z00096150 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN A2Z00096028 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.74 Cc1cc(nc(c1)C(=O)O)C A2Z00009586 [0,1,0,0,0,1|2,0,0]=4 96 B11R1.266 COc1cccc(c1)C(=O)N A2Z00094313 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.266 COc1cccc(c1)C(=O)O A2Z00078098 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.266 c1cc(cc(c1)C(=O)O)CBr A2Z00069073 [0,1,0,0,0,1|2,0,0]=4 99 B9R1.2 CNc1cccc(c1)O A2Z00057021 [0,0,1,1,0,0|0,0,2]=4 100 B11R1.86 Cc1cccc[n+]1CC(=O)C A2Z00058852 [0,0,0,0,0,2|2,0,0]=4 101 B11R1.157 CC(=O)Cc1cccc(c1)Br A2Z00095995 [0,0,0,0,0,2|2,0,0]=4 102 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [0,0,0,0,0,2|1,0,0]=3