0 B10R1.66 CC(C)NCc1ccco1 A2Z00087006 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.66 c1cc([nH]c1)CCC(=O)O A2Z00094982 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.66 c1cc([nH]c1)\C=C\C(=O)O A2Z00094929 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.66 c1cc(oc1)CCC(=O)O A2Z00095303 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.66 c1cc(oc1)\C=C\C(=O)Cl A2Z00095952 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.66 c1cc(oc1)\C=C\C(=O)O A2Z00085545 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.66 c1cc(sc1)CCC(=O)O A2Z00095188 [0,0,0,0,0,0|1,1,2]=4 7 B10R1.66 c1cc(sc1)\C=C\C(=O)O A2Z00096656 [0,0,0,0,0,0|1,1,0]=2 8 B10R1.66 c1cscc1\C=C\C(=O)O A2Z00096366 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.12 c1cc([nH]c1)\C=C\C=O A2Z00094927 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.12 c1cc(oc1)\C=C\C=O A2Z00094719 [1,0,0,0,0,0|0,0,0]=1 11 B9R1.12 c1cc(sc1)\C=C\C#N A2Z00094589 [1,0,0,0,0,0|1,1,1]=4 12 B11R1.25 COC(=O)\C=C\c1cccs1 A2Z00096369 [0,1,0,0,0,0|0,1,0]=2 13 B11R1.25 COC(=O)\C=C\c1ccsc1 A2Z00050484 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.25 c1cc(oc1)CNC(=O)CCl A2Z00056809 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.35 C\C(=C/c1cccs1)\C(=O)O A2Z00046433 [0,1,0,0,0,0|1,1,0]=3 16 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A2Z00095954 [0,0,0,1,0,0|3,0,0]=4 17 B11R2.36 Cc1ccc2ccoc2c1 A2Z00096336 [0,0,0,1,0,0|3,0,0]=4 18 B11R2.36 c1cc2c(cc1O)nco2 A2Z00070114 [0,0,0,1,0,0|1,0,2]=4 19 B11R2.36 c1cc2c(cc[nH]2)cc1Br A2Z00097905 [0,0,0,1,0,0|2,0,1]=4 20 B11R2.36 c1cc2c(cc[nH]2)cc1N A2Z00096013 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.13 c1cc(oc1)CC(=O)O A2Z00061737 [0,0,0,0,1,0|1,0,1]=3 22 B9R1.13 c1cc(sc1)CC(=O)Cl A2Z00094074 [0,0,0,0,1,0|1,1,1]=4 23 B9R1.13 c1cc(sc1)CC(=O)N A2Z00095950 [0,0,0,0,1,0|1,1,1]=4 24 B9R1.13 c1cc(sc1)CC(=O)O A2Z00095935 [0,0,0,0,1,0|1,1,1]=4 25 B11R1.91 CC(=O)NCc1ccccn1 A2Z00094956 [0,0,0,0,0,1|2,0,1]=4 26 B11R1.91 c1cc(cnc1)\C=C\[N+](=O)[O-] A2Z00049852 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.91 c1cnccc1\C=C\C(=O)O A2Z00094281 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.91 c1cnccc1\C=C\[N+](=O)[O-] A2Z00095132 [0,0,0,0,0,1|3,0,0]=4 29 B10R1.54 Cc1ccc(o1)CC(=O)O A2Z00049556 [0,1,0,0,1,0|1,0,1]=4 30 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A2Z00036119 [0,1,0,0,0,1|2,0,0]=4 31 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br A2Z00094527 [0,1,0,0,0,1|2,0,0]=4 32 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl A2Z00034000 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F A2Z00093401 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.27 COC(=O)\C=C\c1cncnc1 A2Z00096618 [0,1,0,0,0,1|2,0,0]=4 35 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O A2Z00046434 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.107 CC(=O)CC(=O)c1ccccc1 A2Z00094722 [0,1,0,0,0,1|1,0,1]=4 37 B12R1.107 C\C(=C/C(=O)O)\c1ccccc1 A2Z00046260 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl A2Z00033999 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A2Z00095186 [0,1,0,0,0,1|2,0,0]=4 40 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A2Z00038051 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O A2Z00097969 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.54 CC(=O)CCC(=O)c1cccs1 A2Z00048097 [0,1,0,0,0,1|0,1,1]=4 43 B12R1.108 COC(=O)\C(=C\c1cccs1)\O A2Z00049977 [0,2,0,0,0,0|0,1,0]=3 44 B10R1.61 CC(=O)c1ccncc1F A2Z00096478 [0,0,1,1,0,0|2,0,0]=4 45 B10R1.61 CC(C)c1ccccc1O A2Z00093538 [0,0,1,1,0,0|1,0,1]=4 46 B10R1.61 Cc1ccccc1C(=O)N A2Z00085447 [0,0,1,1,0,0|2,0,0]=4 47 B10R1.61 c1ccc(c(c1)C(=O)N)O A2Z00062157 [0,0,1,1,0,0|1,0,0]=3 48 B10R1.61 c1ccc(c(c1)C(=O)O)Br A2Z00093939 [0,0,1,1,0,0|2,0,0]=4 49 B10R1.61 c1ccc(c(c1)C(=O)O)F A2Z00093478 [0,0,1,1,0,0|2,0,0]=4 50 B10R1.61 c1ccc(c(c1)C(=O)O)I A2Z00093586 [0,0,1,1,0,0|2,0,0]=4 51 B10R1.61 c1ccc(c(c1)C(=O)O)N A2Z00070269 [0,0,1,1,0,0|2,0,0]=4 52 B10R1.61 c1ccc(c(c1)C(=O)O)O A2Z00038631 [0,0,1,1,0,0|1,0,0]=3 53 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A2Z00034985 [0,0,1,1,0,0|2,0,0]=4 54 B10R1.113 CC(=O)c1cccc(c1)Cl A2Z00095936 [0,0,1,1,0,0|1,0,0]=3 55 B10R1.113 CC(C)c1cccc(c1)O A2Z00093539 [0,0,1,1,0,0|1,0,1]=4 56 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A2Z00095909 [0,0,1,1,0,0|2,0,0]=4 57 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A2Z00095951 [0,0,1,1,0,0|2,0,0]=4 58 B10R1.113 c1cc(cc(c1)F)C(=O)O A2Z00085462 [0,0,1,1,0,0|2,0,0]=4 59 B10R1.113 c1cc(cc(c1)N)C(=O)O A2Z00083929 [0,0,1,1,0,0|2,0,0]=4 60 B10R1.113 c1cnc(cc1C(=O)O)O A2Z00096024 [0,0,1,1,0,0|2,0,0]=4 61 B10R1.113 c1cnc(cc1O)C(=O)O A2Z00009579 [0,0,1,1,0,0|2,0,0]=4 62 B10R2.7 c1cc2c(cc[nH]2)nc1 A2Z00096241 [1,0,0,1,0,0|2,0,0]=4 63 B12R2.24 Cc1ccc2c(c1)nccn2 A2Z00096306 [0,0,0,1,0,1|2,0,0]=4 64 B12R2.6 Cc1csc(n1)c2cccs2 A2Z00049209 [0,0,0,1,0,1|1,1,0]=4 65 B12R2.44 COc1ccc2c(c1)cc[nH]2 A2Z00047975 [0,1,0,1,0,0|2,0,0]=4 66 B12R2.44 COc1ccc2c(n1)cc[nH]2 A2Z00096359 [0,1,0,1,0,0|2,0,0]=4 67 B12R2.44 c1cc2c(cc[nH]2)cc1C=O A2Z00096070 [0,1,0,1,0,0|1,0,1]=4 68 B12R2.252 c1c[nH]c2c1oc(c2)C(=O)O A2Z00050330 [0,1,0,1,0,0|2,0,0]=4 69 B12R2.252 c1c[nH]c2c1sc(c2)C(=O)O A2Z00050312 [0,1,0,1,0,0|2,0,0]=4 70 B12R2.252 c1coc2c1[nH]c(c2)C(=O)O A2Z00096184 [0,1,0,1,0,0|1,0,0]=3 71 B12R2.252 c1csc2c1[nH]c(c2)C(=O)O A2Z00096205 [0,1,0,1,0,0|1,1,0]=4 72 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [0,0,0,0,2,0|0,1,0]=3 73 B8R1.7 CC(=O)c1cncs1 A2Z00085476 [0,0,0,0,2,0|1,1,0]=4 74 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [0,0,0,0,2,0|2,0,0]=4 75 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [0,0,0,0,2,0|1,0,0]=3 76 B8R1.7 c1cnoc1C(=O)O A2Z00096002 [0,0,0,0,2,0|2,0,0]=4 77 B10R1.17 c1ccc(cc1)\C=C\C=O A2Z00038623 [1,0,0,0,0,1|1,0,0]=3