0 B9R1.6 CC(=O)c1ccncc1 A2Z00096088 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CC(c1ccccc1)N A2Z00093463 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 c1cc(cnc1)C(=O)Cl A2Z00046508 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.6 c1cnc(cn1)C(=O)O A2Z00085941 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.2 COc1cnccn1 A2Z00085431 [1,0,0,0,0,0|1,0,0]=2 6 B8R1.2 CSc1ccccc1 A2Z00096090 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.2 c1cc(cnc1)CN A2Z00093433 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.2 c1ccnc(c1)NN A2Z00097841 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.13 CC(=O)c1ccc(cc1)Cl A2Z00038583 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 Cc1ccc(cc1)C(=O)O A2Z00030670 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] A2Z00096401 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.13 Cc1cnc(cn1)C(=O)N A2Z00096092 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.13 Cc1cnc(cn1)C(=O)O A2Z00096093 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.13 c1c(ncc(n1)Br)C(=O)O A2Z00050258 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.13 c1c(ncc(n1)O)C(=O)O A2Z00096301 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.13 c1cc(=O)[nH]cc1C(=O)O A2Z00094278 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.13 c1cc(=O)[nH]nc1C(=O)O A2Z00083465 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.13 c1cc(ccc1C(=O)N)Br A2Z00038699 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.13 c1cc(ccc1C(=O)N)O A2Z00093462 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.13 c1cc(ccc1C(=O)O)Br A2Z00093455 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.13 c1cc(ccc1C(=O)O)F A2Z00038620 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.13 c1cc(ccc1C(=O)O)N A2Z00093468 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.13 c1cc(ncc1Br)[N+](=O)[O-] A2Z00068767 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.13 c1cc(ncc1C(=O)O)Cl A2Z00096110 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br A2Z00096138 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl A2Z00066910 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.13 c1cc(ncc1[N+](=O)[O-])N A2Z00098290 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.13 c1cc(ncc1[N+](=O)[O-])O A2Z00066911 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.13 c1cc(nnc1C(=O)O)Cl A2Z00049654 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.15 CC(CN)c1ccccn1 A2Z00062148 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.15 c1cc(cnc1)C(=O)CBr A2Z00094983 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.61 CC(=O)c1ccncc1F A2Z00096478 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.61 Cc1ccccc1C(=O)N A2Z00085447 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.61 c1c(c(ncn1)C(=O)O)Br A2Z00068773 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.61 c1cc(c(=O)[nH]c1)C(=O)O A2Z00085542 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A2Z00050195 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] A2Z00070223 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] A2Z00069021 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.61 c1ccc(c(c1)C(=O)N)O A2Z00062157 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.61 c1ccc(c(c1)C(=O)O)Br A2Z00093939 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.61 c1ccc(c(c1)C(=O)O)F A2Z00093478 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.61 c1ccc(c(c1)C(=O)O)I A2Z00093586 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.61 c1ccc(c(c1)C(=O)O)N A2Z00070269 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.61 c1ccc(c(c1)C(=O)O)O A2Z00038631 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.61 c1cncc(c1N)[N+](=O)[O-] A2Z00097430 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.113 CC(=O)c1cccc(c1)Cl A2Z00095936 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.113 Cc1cc(cnc1)C(=O)O A2Z00096067 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.113 c1c(cncc1N)C(=O)O A2Z00009581 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.113 c1c(nc[nH]c1=O)C(=O)O A2Z00094899 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.113 c1c(ncnc1Cl)C(=O)Cl A2Z00095427 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.113 c1c(ncnc1Cl)C(=O)O A2Z00094900 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.113 c1cc(c[n+](c1)[O-])C(=O)N A2Z00098097 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A2Z00095909 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A2Z00095951 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.113 c1cc(cc(c1)F)C(=O)O A2Z00085462 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.113 c1cc(cc(c1)N)C(=O)O A2Z00083929 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.113 c1cc(nc(c1)Cl)C(=O)O A2Z00050531 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.113 c1cnc(cc1Br)C(=O)O A2Z00009551 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.113 c1cnc(cc1O)C(=O)O A2Z00009579 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [0,0,0,0,1,0|1,0,0]=2 62 B8R1.7 CC(=O)c1cncs1 A2Z00085476 [0,0,0,0,1,0|1,0,0]=2 63 B8R1.7 CC(c1cccs1)O A2Z00094291 [0,0,0,0,1,0|1,0,2]=4 64 B8R1.7 C[C@@H](c1nccs1)N A2Z00062222 [0,0,0,0,1,0|2,0,1]=4 65 B8R1.7 c1c(ncs1)C(=O)N A2Z00050185 [0,0,0,0,1,0|2,0,0]=3 66 B8R1.7 c1c(ncs1)C(=O)O A2Z00061631 [0,0,0,0,1,0|2,0,0]=3 67 B8R1.7 c1c(non1)C(=O)O A2Z00050422 [0,0,0,0,1,0|2,0,0]=3 68 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [0,0,0,0,1,0|1,0,1]=3 69 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [0,0,0,0,1,0|2,0,0]=3 70 B8R1.7 c1cc(sc1)C(=S)N A2Z00038399 [0,0,0,0,1,0|2,1,0]=4 71 B8R1.7 c1cnoc1C(=O)O A2Z00096002 [0,0,0,0,1,0|2,0,0]=3 72 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [0,0,0,0,0,1|3,0,0]=4 73 B7R1.3 c1cc(cnc1)O A2Z00096077 [2,0,0,0,0,0|1,0,1]=4 74 B7R1.3 c1cc[nH]c(=O)c1 A2Z00070061 [2,0,0,0,0,0|1,0,1]=4 75 B7R1.3 c1ccnc(c1)Br A2Z00097371 [2,0,0,0,0,0|2,0,0]=4 76 B7R1.3 c1cnc(cn1)Cl A2Z00096006 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.1 CSc1ccc(cn1)N A2Z00068677 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.1 Cc1ccc(cn1)C=O A2Z00096051 [1,1,0,0,0,0|1,0,0]=3 79 B9R1.1 Cc1cnc(cn1)C#N A2Z00096280 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.1 Cc1cnc(cn1)CN A2Z00096239 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.1 c1cc(ccc1C=O)F A2Z00093477 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.1 c1cc(ccc1C=O)O A2Z00093449 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.2 c1cc(cc(c1)O)C=O A2Z00093516 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.15 COc1cccnc1N A2Z00069850 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.15 Cc1c(nccn1)C=O A2Z00050351 [1,1,0,0,0,0|0,0,0]=2 86 B9R1.15 c1ccc(c(c1)C=O)F A2Z00093476 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.15 c1ccc(c(c1)C=O)O A2Z00038632 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.11 COC(=O)c1ccc[nH]1 A2Z00096428 [0,1,0,0,1,0|0,0,1]=3 89 B9R1.11 COC(=O)c1ccno1 A2Z00096471 [0,1,0,0,1,0|1,0,0]=3 90 B9R1.11 c1cc(oc1)C(=O)NN A2Z00053062 [0,1,0,0,1,0|2,0,0]=4 91 B9R1.11 c1cc(sc1)C(=O)CCl A2Z00057069 [0,1,0,0,1,0|1,0,0]=3 92 B9R1.11 c1cc(sc1)C(=O)NN A2Z00051543 [0,1,0,0,1,0|2,0,0]=4 93 B9R1.35 CC(=O)c1ccc(o1)Br A2Z00062313 [0,1,0,0,1,0|1,0,0]=3 94 B9R1.35 Cc1cc(n[nH]1)C(=O)O A2Z00046525 [0,1,0,0,1,0|2,0,0]=4 95 B9R1.35 Cc1cc(ns1)C(=O)O A2Z00050333 [0,1,0,0,1,0|2,0,0]=4 96 B9R1.35 Cc1cnc(o1)C(=O)O A2Z00050346 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.35 Cc1ncc(s1)C(=O)O A2Z00073992 [0,1,0,0,1,0|2,0,0]=4 98 B9R1.35 c1([nH]nc(n1)N)C(=O)O A2Z00096282 [0,1,0,0,1,0|2,0,0]=4 99 B9R1.35 c1(nc([nH]n1)N)C(=O)O A2Z00096349 [0,1,0,0,1,0|2,0,0]=4 100 B9R1.35 c1c([nH]nc1O)C(=O)O A2Z00050449 [0,1,0,0,1,0|2,0,0]=4 101 B9R1.35 c1c(n[nH]c1O)C(=O)O A2Z00096273 [0,1,0,0,1,0|2,0,0]=4 102 B9R1.35 c1c(nc(s1)Cl)C(=O)O A2Z00085550 [0,1,0,0,1,0|2,0,0]=4 103 B9R1.35 c1c(nc(s1)N)C(=O)O A2Z00085471 [0,1,0,0,1,0|2,0,0]=4 104 B9R1.35 c1cc(oc1C(=O)O)Br A2Z00033998 [0,1,0,0,1,0|2,0,0]=4 105 B9R1.35 c1cc(sc1C(=O)O)Cl A2Z00095939 [0,1,0,0,1,0|2,0,0]=4 106 B9R1.41 CC(=O)c1c(ncs1)Br A2Z00050247 [0,1,0,0,1,0|1,0,0]=3 107 B9R1.41 CC(=O)c1nncn1C A2Z00050364 [0,1,0,0,1,0|1,0,1]=4 108 B9R1.41 Cc1c(cn[nH]1)C(=O)O A2Z00085440 [0,1,0,0,1,0|2,0,0]=4 109 B9R1.41 Cc1c(ocn1)C(=O)O A2Z00049433 [0,1,0,0,1,0|2,0,0]=4 110 B9R1.41 Cc1ccsc1C(=O)O A2Z00095998 [0,1,0,0,1,0|2,0,0]=4 111 B9R1.41 Cn1c(ccn1)C(=O)O A2Z00096177 [0,1,0,0,1,0|2,0,0]=4 112 B9R1.41 c1csc(c1O)C(=O)N A2Z00061416 [0,1,0,0,1,0|2,0,0]=4 113 B11R1.20 CC(=O)Cc1ccc(cc1)Br A2Z00095994 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.40 c1ccc(cc1)NC(=O)CN A2Z00044283 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.40 c1ccc(cc1)NC(=O)CO A2Z00068359 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.157 CC(=O)Cc1cccc(c1)Br A2Z00095995 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.3 c1c(ncc(n1)C(=O)O)C=O A2Z00050327 [0,2,0,0,0,0|1,0,0]=3 121 B11R1.3 c1cc(ncc1C(=O)O)C#N A2Z00096360 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl A2Z00094298 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl A2Z00049750 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.21 Cc1cc(ccc1O)C(=O)C A2Z00094595 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.21 Cc1ccc(cc1N)C(=O)C A2Z00048065 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.22 CCC(=O)c1ccc(cc1)Br A2Z00094034 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.22 CCC(=O)c1ccc(cc1)F A2Z00094033 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.22 CNC(=O)c1ccc(cc1)Cl A2Z00053054 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.22 COC(=O)c1ccc(nc1)N A2Z00070242 [0,2,0,0,0,0|1,0,0]=3 130 B11R1.22 COC(=O)c1cnc(cn1)Br A2Z00096452 [0,2,0,0,0,0|0,0,0]=2 131 B11R1.22 COC(=O)c1cnc(cn1)Cl A2Z00096393 [0,2,0,0,0,0|0,0,0]=2 132 B11R1.22 COC(=O)c1cnc(cn1)O A2Z00096407 [0,2,0,0,0,0|0,0,0]=2 133 B11R1.22 Cc1cnc(cn1)C(=O)OC A2Z00096105 [0,2,0,0,0,0|0,0,0]=2 134 B11R1.22 c1cc(ccc1C(=O)CBr)Br A2Z00068657 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A2Z00094275 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.22 c1cc(ccc1C(=O)CCl)F A2Z00094272 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.22 c1cc(ccc1C(=O)CN)F A2Z00094016 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.166 CC(=O)c1ccc(cc1O)F A2Z00096274 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.23 COC(=O)c1cccc(c1)N A2Z00095938 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr A2Z00096150 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN A2Z00096028 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.222 CCC(=O)c1ccccc1Br A2Z00049411 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.222 CNC(=O)c1ccccc1N A2Z00046099 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.222 COC(=O)c1ccccc1Cl A2Z00095996 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.222 COC(=O)c1ccccc1F A2Z00096107 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.222 COC(=O)c1ccccc1N A2Z00096614 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.222 COC(=O)c1ccccc1O A2Z00069275 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.222 COC(=O)c1ccccc1S A2Z00096071 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.222 Cc1ccccc1C(=O)OC A2Z00095993 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.53 CC(=O)c1ccccc1OC A2Z00094520 [0,2,0,0,0,0|2,0,0]=4 151 B11R1.167 CC(=O)c1cc(ccc1Cl)O A2Z00049751 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.167 CC(=O)c1cc(ccc1O)O A2Z00067510 [0,2,0,0,0,0|2,0,0]=4 153 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A2Z00093755 [0,2,0,0,0,0|2,0,0]=4 154 B11R1.74 Cc1cc(nc(c1)C(=O)O)C A2Z00009586 [0,2,0,0,0,0|2,0,0]=4 155 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 A2Z00069818 [0,0,0,1,0,1|2,0,0]=4 156 B7R1.1 CCn1ccnc1 A2Z00097334 [1,0,0,0,1,0|1,0,1]=4 157 B7R1.1 CCn1cncn1 A2Z00096521 [1,0,0,0,1,0|1,0,1]=4 158 B7R1.1 c1cscc1C=O A2Z00050189 [1,0,0,0,1,0|1,0,0]=3 159 B11R1.91 CC(=O)NCc1ccccn1 A2Z00094956 [0,0,0,0,0,2|1,0,0]=3 160 B11R1.91 c1cc(cnc1)NCC(=O)O A2Z00049604 [0,0,0,0,0,2|2,0,0]=4 161 B11R1.91 c1ccnc(c1)CCC(=O)O A2Z00094491 [0,0,0,0,0,2|2,0,0]=4