0 B10R1.61 CC(=O)c1ccncc1F A2Z00096478 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC(C)c1ccccc1N A2Z00038647 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 CC(C)c1ccccc1O A2Z00093538 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.61 CC(c1ccncc1F)O A2Z00050485 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.61 CN(C)c1ccccc1Br A2Z00062284 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 Cc1ccccc1C(=O)N A2Z00085447 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.61 c1c(c(ncn1)C(=O)O)Br A2Z00068773 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 c1cc(c(=O)[nH]c1)C(=O)O A2Z00085542 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A2Z00050195 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] A2Z00070223 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] A2Z00069021 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.61 c1ccc(c(c1)C(=N)N)F A2Z00074261 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.61 c1ccc(c(c1)C(=O)N)O A2Z00062157 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.61 c1ccc(c(c1)C(=O)O)Br A2Z00093939 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.61 c1ccc(c(c1)C(=O)O)F A2Z00093478 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.61 c1ccc(c(c1)C(=O)O)I A2Z00093586 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.61 c1ccc(c(c1)C(=O)O)N A2Z00070269 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.61 c1ccc(c(c1)C(=O)O)O A2Z00038631 [0,0,0,0,0,0|0,0,0]=0 18 B10R1.61 c1ccc(c(c1)C(=S)N)Cl A2Z00098305 [0,0,0,0,0,0|2,1,0]=3 19 B10R1.61 c1ccc(c(c1)C(=S)N)F A2Z00038401 [0,0,0,0,0,0|2,1,0]=3 20 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A2Z00093554 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A2Z00034985 [0,0,0,0,0,0|1,0,1]=2 22 B10R1.61 c1cncc(c1N)[N+](=O)[O-] A2Z00097430 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.6 CC(=O)c1ccncc1 A2Z00096088 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 CC(c1ccccc1)N A2Z00093463 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.6 c1cc(cnc1)C(=O)Cl A2Z00046508 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.6 c1cnc(cn1)C(=O)O A2Z00085941 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.6 c1cnccc1C(=S)N A2Z00098301 [1,0,0,0,0,0|2,1,0]=4 29 B9R1.15 CCc1ccccc1O A2Z00093520 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.15 Cc1c(nccn1)C=O A2Z00050351 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.15 c1cc(c(nc1)O)C#N A2Z00097562 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.15 c1ccc(c(c1)C#N)N A2Z00038643 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.15 c1ccc(c(c1)C=O)F A2Z00093476 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.15 c1ccc(c(c1)C=O)O A2Z00038632 [1,0,0,0,0,0|0,0,0]=1 35 B9R1.15 c1ccc(c(c1)CN)Cl A2Z00093435 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.15 c1ccc(c(c1)CO)Br A2Z00097426 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.15 c1ccc(c(c1)ON)F A2Z00050391 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.53 CC(=O)c1ccccc1OC A2Z00094520 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.53 COc1ccccc1C(=O)O A2Z00093473 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.53 c1ccc(c(c1)C(=O)O)NN A2Z00097754 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.53 c1ccc(c(c1)C=O)C(=O)O A2Z00055347 [0,1,0,0,0,0|0,0,1]=2 42 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Cl A2Z00047241 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.156 c1cc(c(c(c1)Cl)C(=S)N)F A2Z00038405 [0,1,0,0,0,0|2,1,0]=4 44 B11R1.156 c1cc(c(c(c1)F)C(=S)N)F A2Z00069795 [0,1,0,0,0,0|2,1,0]=4 45 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] A2Z00094830 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.159 Cn1cccc(c1=O)C(=O)O A2Z00095980 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.159 c1cc(c(c(c1)Br)Cl)C(=O)O A2Z00097567 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O A2Z00097585 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O A2Z00097432 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O A2Z00061682 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.159 c1cc(c(c(c1)Cl)O)[N+](=O)[O-] A2Z00049909 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.159 c1cc(c(c(c1)F)Br)C(=O)O A2Z00096365 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O A2Z00097431 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.159 c1cc(c(c(c1)O)N)[N+](=O)[O-] A2Z00098038 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.159 c1cc(c(c(c1)[N+](=O)[O-])O)N A2Z00046655 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.166 CC(=O)c1ccc(cc1O)F A2Z00096274 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O A2Z00061538 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] A2Z00097666 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.166 Cc1ccc(c(c1)O)[N+](=O)[O-] A2Z00096106 [0,1,0,0,0,0|1,0,1]=3 60 B11R1.166 c1cc(c(cc1F)F)C(=O)O A2Z00097416 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.166 c1cc(c(cc1F)F)[N+](=O)[O-] A2Z00097500 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] A2Z00097433 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] A2Z00062424 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.166 c1cc(c(cc1N)O)C(=O)O A2Z00097498 [0,1,0,0,0,0|0,0,0]=1 65 B11R1.166 c1cc(c(cc1N)O)C(=O)[O-] A2Z00062425 [0,1,0,0,0,0|0,0,1]=2 66 B11R1.166 c1cc(c(cc1O)O)C(=O)O A2Z00038656 [0,1,0,0,0,0|0,0,0]=1 67 B11R1.167 CC(=O)c1cc(ccc1Cl)O A2Z00049751 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.167 CC(=O)c1cc(ccc1O)O A2Z00067510 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.167 CC(C)c1cc(ccc1O)Cl A2Z00096916 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.167 Cc1cc(c(nn1)O)C(=O)O A2Z00049871 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A2Z00093755 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br A2Z00097370 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.167 Cc1ccc(c(c1)C(=O)O)C A2Z00083135 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])Br A2Z00096942 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.167 c1c(c(c[nH]c1=O)Br)C(=O)O A2Z00050240 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.167 c1cc(c(cc1Br)C(=O)O)Cl A2Z00094857 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.167 c1cc(c(cc1Br)C(=O)O)N A2Z00097335 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.167 c1cc(c(cc1Br)C(=S)N)O A2Z00038547 [0,1,0,0,0,0|1,1,0]=3 79 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N A2Z00097427 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.167 c1cc(c(cc1Cl)C(=O)O)O A2Z00096863 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])N A2Z00068291 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.222 CCC(=O)c1ccccc1Br A2Z00049411 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.222 CNC(=O)c1ccccc1N A2Z00046099 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.222 COC(=O)c1ccccc1Cl A2Z00095996 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.222 COC(=O)c1ccccc1F A2Z00096107 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.222 COC(=O)c1ccccc1N A2Z00096614 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.222 COC(=O)c1ccccc1O A2Z00069275 [0,1,0,0,0,0|0,0,0]=1 88 B11R1.222 COC(=O)c1ccccc1S A2Z00096071 [0,1,0,0,0,0|0,1,0]=2 89 B11R1.222 Cc1ccccc1C(=O)OC A2Z00095993 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.222 Cc1ccccc1\C(=N\O)\N A2Z00096102 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.222 c1ccc(c(c1)C(=O)NN)Br A2Z00014686 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.222 c1ccc(c(c1)C(=O)NN)F A2Z00014684 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.222 c1ccc(c(c1)C(=O)NN)N A2Z00097814 [0,1,0,0,0,0|2,0,0]=3 94 B11R2.1 c1ccc2c(c1)c(n[nH]2)N A2Z00087099 [0,0,0,1,0,0|3,0,0]=4 95 B11R2.1 c1ccc2c(c1)c(n[nH]2)O A2Z00061517 [0,0,0,1,0,0|2,0,0]=3 96 B11R2.1 c1ccc2c(c1)c(no2)Br A2Z00050269 [0,0,0,1,0,0|2,0,0]=3 97 B11R2.1 c1ccc2c(c1)c(no2)O A2Z00096303 [0,0,0,1,0,0|1,0,0]=2 98 B9R1.41 Cc1c(cn[nH]1)C(=O)O A2Z00085440 [0,0,0,0,1,0|3,0,0]=4 99 B9R1.41 Cc1c(ocn1)C(=O)O A2Z00049433 [0,0,0,0,1,0|3,0,0]=4 100 B9R1.41 Cc1ccsc1C(=O)O A2Z00095998 [0,0,0,0,1,0|2,0,0]=3 101 B9R1.41 Cn1c(ccn1)C(=O)O A2Z00096177 [0,0,0,0,1,0|3,0,0]=4 102 B9R1.41 c1csc(c1O)C(=O)N A2Z00061416 [0,0,0,0,1,0|2,0,0]=3 103 B11R1.86 Cc1cccc[n+]1CC(=O)C A2Z00058852 [0,0,0,0,0,1|3,0,0]=4 104 B11R1.86 Cc1ccccc1NC(=N)N A2Z00074248 [0,0,0,0,0,1|3,0,0]=4 105 B11R1.86 c1ccc(c(c1)CC(=O)O)F A2Z00061208 [0,0,0,0,0,1|1,0,0]=2 106 B8R1.2 CSc1ccccc1 A2Z00096090 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.2 c1ccc(cc1)CN A2Z00095042 [2,0,0,0,0,0|1,0,1]=4 108 B8R1.5 C1=CC(=O)C(=O)C=C1 A2Z00049590 [2,0,0,0,0,0|0,0,1]=3 109 B8R1.5 Cc1ccc[nH]c1=O A2Z00097918 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.5 Cc1ccccc1N A2Z00093501 [2,0,0,0,0,0|1,0,1]=4 111 B8R1.5 c1cc(c(nc1)N)O A2Z00069848 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.5 c1ccc(c(c1)N)F A2Z00093504 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.5 c1ccc(c(c1)N)I A2Z00083429 [2,0,0,0,0,0|2,0,0]=4 114 B8R1.5 c1ccc(c(c1)O)Cl A2Z00093529 [2,0,0,0,0,0|1,0,0]=3 115 B8R1.5 c1ccc(c(c1)O)F A2Z00096082 [2,0,0,0,0,0|1,0,0]=3 116 B10R1.13 CC(=O)c1ccc(cc1)Cl A2Z00038583 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.13 Cc1ccc(cc1)C(=O)O A2Z00030670 [1,1,0,0,0,0|0,0,0]=2 118 B10R1.13 Cc1ccc(cc1)C(=S)N A2Z00038400 [1,1,0,0,0,0|1,1,0]=4 119 B10R1.13 Cc1cnc(cn1)C(=O)O A2Z00096093 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.13 c1c(ncc(n1)Br)C(=O)O A2Z00050258 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.13 c1c(ncc(n1)O)C(=O)O A2Z00096301 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.13 c1cc(=O)[nH]cc1C(=O)O A2Z00094278 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.13 c1cc(=O)[nH]nc1C(=O)O A2Z00083465 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.13 c1cc(ccc1C(=N)N)Cl A2Z00098490 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.13 c1cc(ccc1C(=N)N)N A2Z00050462 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.13 c1cc(ccc1C(=N)N)O A2Z00070221 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.13 c1cc(ccc1C(=O)N)Br A2Z00038699 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.13 c1cc(ccc1C(=O)N)O A2Z00093462 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.13 c1cc(ccc1C(=O)O)Br A2Z00093455 [1,1,0,0,0,0|0,0,0]=2 130 B10R1.13 c1cc(ccc1C(=O)O)F A2Z00038620 [1,1,0,0,0,0|0,0,0]=2 131 B10R1.13 c1cc(ccc1C(=O)O)N A2Z00093468 [1,1,0,0,0,0|0,0,0]=2 132 B10R1.13 c1cc(ccc1C(=S)N)Br A2Z00085460 [1,1,0,0,0,0|1,1,0]=4 133 B10R1.13 c1cc(ccc1C(=S)N)Cl A2Z00038403 [1,1,0,0,0,0|1,1,0]=4 134 B10R1.13 c1cc(ccc1C(=S)N)F A2Z00093909 [1,1,0,0,0,0|1,1,0]=4 135 B10R1.13 c1cc(ccc1S(=O)Cl)Cl A2Z00049702 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A2Z00093555 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.13 c1cc(ncc1C(=O)O)Cl A2Z00096110 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.13 c1cc(nnc1C(=O)O)Cl A2Z00049654 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.15 CC(c1ccccc1)NO A2Z00047942 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.15 c1cc(cnc1)C(=O)CBr A2Z00094983 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.15 c1ccc(cc1)C(=O)C=O A2Z00094839 [1,1,0,0,0,0|0,0,1]=3 142 B10R1.113 CC(=O)c1cccc(c1)Cl A2Z00095936 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.113 Cc1cc(ccn1)C(=O)O A2Z00096178 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.113 Cc1cc(cnc1)C(=O)O A2Z00096067 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.113 c1c(cncc1N)C(=O)O A2Z00009581 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.113 c1c(nc[nH]c1=O)C(=O)O A2Z00094899 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.113 c1c(ncnc1Cl)C(=O)O A2Z00094900 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.113 c1cc(c[n+](c1)[O-])C(=O)N A2Z00098097 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] A2Z00097373 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A2Z00095909 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A2Z00095951 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.113 c1cc(cc(c1)F)C(=O)O A2Z00085462 [1,1,0,0,0,0|0,0,0]=2 153 B10R1.113 c1cc(cc(c1)N)C(=O)O A2Z00083929 [1,1,0,0,0,0|0,0,0]=2 154 B10R1.113 c1cc(nc(c1)Cl)C(=O)O A2Z00050531 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.113 c1cnc(cc1Br)C(=O)O A2Z00009551 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.113 c1cnc(cc1C(=O)O)Cl A2Z00096019 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.113 c1cnc(cc1C(=O)O)O A2Z00096024 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.113 c1cnc(cc1O)C(=O)O A2Z00009579 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.2 c1cc(c(c(c1)F)Br)CO A2Z00096539 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.4 C=CCc1ccccc1O A2Z00093534 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.4 CCOc1ccccc1O A2Z00093544 [1,1,0,0,0,0|1,0,1]=4 162 B10R1.4 c1ccc(c(c1)CCN)O A2Z00049546 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.20 COc1ccccc1OC A2Z00093543 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.20 CSc1ccccc1CO A2Z00061413 [1,1,0,0,0,0|0,1,1]=4 165 B10R1.25 Cc1cc(ccc1N=O)O A2Z00061533 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.25 c1cc(c(cc1Br)O)C=O A2Z00096167 [1,1,0,0,0,0|0,0,0]=2 167 B10R1.25 c1cc(c(cc1F)F)C=O A2Z00095979 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.25 c1cc(c(cc1F)O)C=O A2Z00062370 [1,1,0,0,0,0|0,0,0]=2 169 B10R1.25 c1cc(c(cc1O)O)C=O A2Z00038649 [1,1,0,0,0,0|0,0,0]=2 170 B10R1.30 CCc1cc(ccc1O)Br A2Z00038711 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.30 Cc1ccc(c(c1)OC)O A2Z00096094 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.30 c1cc(c(cc1Br)C#N)O A2Z00038382 [1,1,0,0,0,0|1,0,1]=4 173 B10R1.30 c1cc(c(cc1Br)C=O)F A2Z00096146 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.30 c1cc(c(cc1Br)C=O)O A2Z00055341 [1,1,0,0,0,0|0,0,0]=2 175 B10R1.245 c1cc(c(c(c1)Br)C=O)O A2Z00096372 [1,1,0,0,0,0|0,0,0]=2 176 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl A2Z00053855 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.245 c1cc(c(c(c1)Cl)C=O)F A2Z00097122 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.149 COC(=O)c1c(ccs1)N A2Z00096109 [0,1,0,0,1,0|2,0,0]=4 179 B10R1.149 COC(=O)c1c(ccs1)O A2Z00061415 [0,1,0,0,1,0|1,0,0]=3 180 B10R1.149 Cc1ccsc1C(=O)OC A2Z00095997 [0,1,0,0,1,0|2,0,0]=4 181 B10R1.192 Cc1coc(c1C(=O)O)C A2Z00096172 [0,1,0,0,1,0|2,0,0]=4 182 B12R1.75 COc1ccccc1CC(=O)O A2Z00095972 [0,1,0,0,0,1|0,0,0]=2 183 B12R1.75 CSc1ccccc1CC(=O)O A2Z00061735 [0,1,0,0,0,1|0,1,0]=3 184 B12R1.127 c1cc(c(cc1Br)CC(=O)O)F A2Z00095959 [0,1,0,0,0,1|1,0,0]=3 185 B12R1.224 Cc1cccn(c1=O)CC(=O)O A2Z00069277 [0,1,0,0,0,1|1,0,1]=4 186 B12R1.371 COC(=O)Cc1ccccc1F A2Z00095983 [0,1,0,0,0,1|1,0,0]=3 187 B12R1.371 Cc1ccccc1CC(=O)OC A2Z00095982 [0,1,0,0,0,1|1,0,0]=3 188 B12R1.371 Cc1ccccc1OC(=O)CN A2Z00049392 [0,1,0,0,0,1|2,0,0]=4 189 B12R1.46 CC(=O)c1cc(ccc1OC)F A2Z00094494 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.46 CC(c1cc(ccc1OC)Cl)O A2Z00048861 [0,2,0,0,0,0|1,0,1]=4 191 B12R1.46 COc1ccc(cc1C(=O)N)Cl A2Z00038604 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.46 COc1ccc(cc1C(=O)O)Br A2Z00095258 [0,2,0,0,0,0|0,0,0]=2 193 B12R1.46 COc1ccc(cc1C(=O)O)Cl A2Z00038414 [0,2,0,0,0,0|0,0,0]=2 194 B12R1.46 Cc1ccc(c(c1)C(=O)C)SC A2Z00096878 [0,2,0,0,0,0|1,1,0]=4 195 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] A2Z00057049 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.77 CC(CO)c1ccccc1OC A2Z00049193 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.77 COC(=O)c1ccccc1C=O A2Z00094841 [0,2,0,0,0,0|0,0,1]=3 198 B12R1.77 COC(=O)c1cccnc1C#N A2Z00096191 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.77 COc1ccccc1C(=O)NN A2Z00014664 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.261 CC(C)c1ccccc1C(=O)O A2Z00049472 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.261 CN(C)c1c(cccn1)C(=O)O A2Z00046497 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O A2Z00096119 [0,2,0,0,0,0|1,0,0]=3 203 B12R1.283 CCOc1ccccc1C(=O)C A2Z00082284 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.437 COc1cccc(c1C(=O)O)O A2Z00050406 [0,2,0,0,0,0|0,0,0]=2 205 B12R1.1000 Cc1cc(nc(c1C(=O)O)O)C A2Z00009582 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.1000 c1c(cc(c(c1N)C(=O)O)Cl)Cl A2Z00062158 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.24 CCC(=O)c1cccc(c1C)C A2Z00050004 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.24 COC(=O)c1cccc(c1Br)F A2Z00096666 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.24 Cn1cccc(c1=O)C(=O)OC A2Z00096625 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.511 Cc1cc(c(c(c1)Br)O)[N+](=O)[O-] A2Z00094782 [0,2,0,0,0,0|1,0,1]=4 211 B12R1.893 c1cc(c(c(c1C(=O)O)N)Cl)Cl A2Z00062159 [0,2,0,0,0,0|1,0,0]=3 212 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C A2Z00071997 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.232 Cc1cc(c(cc1Cl)[N+](=O)[O-])O A2Z00096627 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.452 COc1ccc(c(c1)N)C(=O)O A2Z00061322 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.1703 CCC(=O)c1ccc(cc1F)F A2Z00050173 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.1703 COC(=O)c1ccc(cc1O)O A2Z00077106 [0,2,0,0,0,0|0,0,0]=2 217 B12R1.1703 COC(=O)c1cnc(cc1N)Cl A2Z00096459 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CCl A2Z00048050 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN A2Z00014665 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.354 CCC(=O)c1cc(ccc1Cl)Cl A2Z00056935 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.354 COC(=O)c1cc(ccc1Cl)N A2Z00045055 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.354 COC(=O)c1cc(ccc1O)Br A2Z00034160 [0,2,0,0,0,0|0,0,0]=2 223 B12R1.354 COC(=O)c1cc(ccc1O)N A2Z00096851 [0,2,0,0,0,0|0,0,0]=2 224 B12R1.354 C\C(=N\O)\c1cc(ccc1O)O A2Z00098336 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.354 Cc1ccc(c(c1)C(=O)CCl)C A2Z00048098 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.453 CC(=O)c1cc(ccc1Cl)OC A2Z00056965 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.453 CCc1ccc(c(c1)C(=O)C)O A2Z00095971 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.453 CCc1ccc(c(c1)C(=O)O)N A2Z00057964 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.308 CCCC(=O)c1ccccc1F A2Z00048886 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.308 CCOC(=O)c1ccccc1C A2Z00098049 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.308 CCOC(=O)c1ccccc1N A2Z00093475 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.308 CCOC(=O)c1cccnc1N A2Z00061520 [0,2,0,0,0,0|2,0,0]=4 233 B10R1.66 c1cc([nH]c1)\C=C\C(=O)O A2Z00094929 [0,0,1,1,0,0|1,0,0]=3 234 B10R1.66 c1cc(oc1)CCC(=O)O A2Z00095303 [0,0,1,1,0,0|0,0,2]=4 235 B10R1.66 c1cc(oc1)\C=C\C(=O)Cl A2Z00095952 [0,0,1,1,0,0|1,0,0]=3 236 B10R1.66 c1cc(oc1)\C=C\C(=O)O A2Z00085545 [0,0,1,1,0,0|0,0,0]=2 237 B10R1.66 c1cc(sc1)\C=C\C(=O)O A2Z00096656 [0,0,1,1,0,0|0,1,0]=3 238 B10R1.66 c1cscc1\C=C\C(=O)O A2Z00096366 [0,0,1,1,0,0|2,0,0]=4 239 B10R1.54 Cc1ccc(o1)CC(=O)O A2Z00049556 [0,0,1,1,0,0|0,0,2]=4 240 B12R2.24 c1cc2c(nc1)NC(=O)CO2 A2Z00068733 [0,0,0,1,0,1|2,0,0]=4 241 B12R2.24 c1ccc2c(c1)CCC(=O)N2 A2Z00074166 [0,0,0,1,0,1|2,0,0]=4 242 B12R2.24 c1ccc2c(c1)NC(=O)CO2 A2Z00083158 [0,0,0,1,0,1|1,0,0]=3 243 B12R2.24 c1ccc2c(c1)NCC(=O)N2 A2Z00039095 [0,0,0,1,0,1|2,0,0]=4 244 B12R2.202 Cc1cc2c([nH]1)cccc2O A2Z00096183 [0,0,0,1,0,1|2,0,0]=4 245 B12R2.202 c1cc(c2c(c1)[nH]c(=O)o2)N A2Z00046404 [0,0,0,1,0,1|2,0,0]=4 246 B12R2.202 c1cc(c2c(c1)oc(=O)[nH]2)N A2Z00070298 [0,0,0,1,0,1|1,0,0]=3 247 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 A2Z00074262 [0,0,0,1,0,1|2,0,0]=4 248 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 A2Z00095173 [0,0,0,1,0,1|2,0,0]=4 249 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 A2Z00098390 [0,0,0,1,0,1|2,0,0]=4 250 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 A2Z00094292 [0,1,0,1,0,0|2,0,0]=4 251 B12R2.1081 c1ccc2c(c1)c(=O)[nH]cn2 A2Z00057219 [0,1,0,1,0,0|2,0,0]=4 252 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A2Z00060373 [0,1,0,1,0,0|2,0,0]=4 253 B12R2.1081 c1ccc2c(c1)c(=O)cc[nH]2 A2Z00062308 [0,1,0,1,0,0|2,0,0]=4 254 B12R2.1081 c1ccc2c(c1)c(=O)cn[nH]2 A2Z00061512 [0,1,0,1,0,0|2,0,0]=4 255 B12R2.1081 c1ccc2c(c1)cc[nH]c2=O A2Z00069902 [0,1,0,1,0,0|2,0,0]=4 256 B12R2.2048 COc1ccccc1C2CO2 A2Z00047947 [0,1,0,1,0,0|1,0,1]=4 257 B12R2.132 c1cc2c(cc1Br)C(=O)CS2 A2Z00050233 [0,1,0,1,0,0|1,1,0]=4 258 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 A2Z00094227 [0,1,0,1,0,0|2,0,0]=4 259 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A2Z00046648 [0,1,0,1,0,0|2,0,0]=4 260 B8R1.7 CC(=O)c1cccs1 A2Z00050162 [1,0,0,0,1,0|2,0,0]=4 261 B8R1.7 c1c(ncs1)C(=O)O A2Z00061631 [1,0,0,0,1,0|2,0,0]=4 262 B8R1.7 c1cc([nH]c1)C(=O)O A2Z00070219 [1,0,0,0,1,0|1,0,0]=3 263 B8R1.7 c1cc(oc1)C(=O)O A2Z00093505 [1,0,0,0,1,0|1,0,0]=3 264 B8R1.7 c1cnoc1C(=O)O A2Z00096002 [1,0,0,0,1,0|2,0,0]=4 265 B12R1.125 CC(=O)COc1ccccc1Br A2Z00094587 [0,0,0,0,0,2|2,0,0]=4 266 B12R1.125 Cc1ccccc1NCC(=O)O A2Z00083483 [0,0,0,0,0,2|1,0,0]=3 267 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl A2Z00095189 [0,0,0,0,0,2|1,0,0]=3 268 B12R1.125 c1ccc(c(c1)CCC(=O)O)F A2Z00039158 [0,0,0,0,0,2|1,0,0]=3 269 B12R1.125 c1ccc(c(c1)OCC(=O)Cl)Cl A2Z00069792 [0,0,0,0,0,2|2,0,0]=4 270 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl A2Z00062552 [0,0,0,0,0,2|1,0,0]=3 271 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl A2Z00033999 [0,0,0,0,0,2|1,0,0]=3 272 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A2Z00095186 [0,0,0,0,0,2|1,0,0]=3