0 B10R1.13 B(c1ccc(cn1)Br)(O)O pb034 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 B(c1ccc(cn1)C)(O)O un095 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.13 B(c1ccc(nc1)C)(O)O un119 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] cdp160 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 Cc1ccc(nc1)C(=O)N cdp147fp1 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 Cc1ccc(nc1)C(=O)O cdp147 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] cdp140 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] un178 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.13 c1cc(ncc1C(=O)O)Br ct055 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.13 c1cc(ncc1C(=O)O)F cdp137 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 c1cc(ncc1C(=O)O)I un202 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.13 c1cc(ncc1Cl)C(=O)N cdp104vp1de13 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 c1cc(ncc1F)C(=O)N cdp187fp8 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.13 c1cc(ncc1F)C(=O)O cdp187 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.13 c1cc(ncc1F)[N+](=O)[O-] rp019 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.13 c1cc(ncc1I)C(=O)O cdp165de1 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.13 c1cc(ncc1N)C(=O)O ct083 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.13 c1cc(ncc1N)[N+](=O)[O-] cdp152 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.13 c1cc(ncc1O)C(=O)O ct074 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] cdp154 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.13 c1cc(ncc1S)C(=O)O cdp157de3 [0,0,0,0,0,0|1,1,0]=2 21 B10R1.13 c1cc(ncc1[N+](=O)[O-])F cdp138 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.1 CCc1ccc(cn1)O cdp254de7 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.1 COc1ccc(nc1)O rp224 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 c1c(cnc(n1)C=O)O un185 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.1 c1cc(ccc1C#N)S a230 [1,0,0,0,0,0|1,1,1]=4 26 B9R1.1 c1cc(ccc1[N+]#N)Br jmc051 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 c1cc(ccc1[N+]#N)F jmc052 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 c1cc(ncc1C=O)I rp017 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.1 c1cc(ncc1CO)I rp017vp2 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.1 c1cc(ncc1F)CO cdp187fp3 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.1 c1cc(ncc1O)C#N rp088 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.1 c1cc(ncc1O)C=O un184 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.6 B(c1ccccn1)(O)O un097 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.6 CS(=O)c1ccccn1 ct006vp1fp4 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.6 CS(=O)c1ccncc1 bio026 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 c1cc(nnc1)C(=O)O a065 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.3 CC(=O)c1ccc(nc1)C#N cdp027vp1de8 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.3 CC(=O)c1ccc(nc1)CO cia036lit3de4 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.3 CCc1ccc(nc1)C(=O)O ct080 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.3 COc1ccc(nc1)C(=O)O cdp317 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.3 CS(=O)c1ccc(cc1)C=O bio025 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.3 CS(=O)c1ccc(cc1)CO bio024 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.3 c1cc(ncc1C#N)C(=O)O cin119de2 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.3 c1cc(ncc1C(=O)O)NN a252vp1 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.3 c1cc(ncc1CCl)C(=O)O cdp183de2 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.3 c1cc(ncc1NO)C(=O)O cdp165fp3 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.19 C[Si](C)(C)c1ccc(cc1)O jmc095 [0,1,0,0,0,0|2,1,0]=4 48 B11R1.19 Cc1ccc(cn1)S(=O)(=O)O cdp148 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.19 Cc1ccc(nc1)S(=O)(=O)O cdp136de2 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.19 c1cc(ncc1N)S(=O)(=O)O cdp156de2 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.19 c1cc(ncc1O)S(=O)(=O)O cdp189 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.19 c1cc(ncc1S(=O)(=O)O)Cl cdp159 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.19 c1cc(ncc1S(=O)(=O)O)N cdp156 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.19 c1cc(ncc1S(=O)(=O)O)O cdp151 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.21 Cc1c(ccc(n1)C(=O)O)Cl rp211de38 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.21 Cc1c(ccc(n1)C(=O)O)I rp211de34 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.21 Cc1cc(cnc1C)C(=O)O ct077de1 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.21 Cc1ccc(nc1C)C(=O)O rp126 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.21 c1c(=O)c(c[nH]c1C(=O)O)O un165lit2 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.21 c1c(cnc(c1Br)Br)C(=O)O un145 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.21 c1c(cnc(c1Br)I)C(=O)O cdp240vp1fp4 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.21 c1c(cnc(c1Br)N)C(=O)N abp002 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.21 c1c(cnc(c1Br)O)[N+](=O)[O-] cdp236vp3 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.21 c1c(cnc(c1Cl)N)C(=O)N acp003 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.21 c1c(cnc(c1Cl)N)C(=O)O acp005 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.21 c1c(cnc(c1Cl)O)[N+](=O)[O-] cdp238vp1 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.21 c1cc(c(cc1C(=O)O)Br)N ps016 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.21 c1cc(nc(c1Br)N)C(=O)O cdp104fp6de28 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.21 c1cc(nc(c1Br)O)C(=O)O cdp236vp3de2 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.21 c1cc(nc(c1Cl)N)C(=O)O cdp104fp6de27 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.21 c1cc(nc(c1O)Cl)C(=O)O ct074fp8a [0,1,0,0,0,0|1,0,0]=2 72 B11R1.21 c1cc(nc(c1O)I)C(=O)O ct074fp6 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.22 CNC(=O)c1ccc(cn1)Cl cdp183fp7 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.22 CNC(=O)c1ccc(cn1)F cdp187fp5 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.22 COC(=O)c1ccc(cn1)F cdp187fp1 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.22 COC(=O)c1ccc(cn1)I ct255fp8de5 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.22 COC(=O)c1ccc(cn1)O ct074fp7 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.22 COC(=O)c1ccc(nc1)I cdp263fp1de26 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.22 Cc1ccc(nc1)C(=O)NN cdp147fp2 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.22 Cc1ccc(nc1)C(=O)OC fpzz0294fp1 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.22 c1cc(ncc1F)C(=O)CBr cdp187fp7 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.22 c1cc(ncc1F)C(=O)NN cdp187fp6 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.166 Cc1c(ccc(n1)N)C(=O)O rp107 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.166 Cc1c[n+](ccc1C(=O)O)[O-] cdp263fp6 [0,1,0,0,0,0|1,0,1]=3 85 B11R1.166 Cc1cc(c(nc1)C(=O)O)C cdp147de2 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.166 Cc1cc(ncc1C(=O)O)C ct077 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.166 c1c(c(cnc1Br)C(=O)O)Br ct010vp1fp2fp1 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl ct365 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.166 c1c(c(cnc1O)[N+](=O)[O-])Cl rp012 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br pic009 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl cdp108de4 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] a257 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.166 c1cc(nc(c1C(=O)O)O)N cdp194fp6 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.166 c1cc(nc(c1[N+](=O)[O-])Br)O rp188 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 tj007 [0,0,0,0,0,1|1,0,1]=3 96 B11R1.20 CC(=O)Oc1ccc(=O)[nH]c1 f011fp2 [0,0,0,0,0,1|2,0,1]=4 97 B11R1.20 c1cc(ccc1C[N+](=O)[O-])Cl jmc036 [0,0,0,0,0,1|2,0,1]=4 98 B11R1.20 c1cn(ccc1=O)CC(=O)O ct443 [0,0,0,0,0,1|1,0,1]=3 99 B8R1.2 c1ccc(cc1)CI a245 [2,0,0,0,0,0|1,0,1]=4 100 B8R1.2 c1cncnc1C=O a249 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.3 Cc1ccc(nc1)O cdp139 [2,0,0,0,0,0|1,0,1]=4 102 B8R1.3 c1cc(ncc1N)O f009 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.3 c1cc(ncc1O)Cl cdp172 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.3 c1cc(ncc1O)O f011 [2,0,0,0,0,0|1,0,0]=3 105 B10R1.1 Cc1ccc(cc1)\C=N\N un316 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.1 c1cc(ccc1C#N=O)Cl jmc048 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.1 c1cc(ccc1\C=N\N)Br un311 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.1 c1cc(ccc1\C=N\N)Cl un312 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.1 c1cc(ccc1\C=N\N)F un310 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.1 c1cc(ccc1\C=N\N)N un314 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.1 c1cc(ccc1\C=N\N)O un315 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.3 COc1ccc(cn1)CO cia028de2de6 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.3 COc1ccc(nc1)C=O cia028de4 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.3 COc1ccc(nc1)CO cia028de2de4 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.25 Cc1cc(c(nc1)C=O)C rp032 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.25 Cc1cc(cnc1C=O)Br rp198 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.25 Cc1ccc(c(n1)Br)C=O rp009 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.25 c1c(c(cnc1O)CO)O ct010vp1fp1 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.25 c1c(cnc(c1Br)C=O)Br un121fp4 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.25 c1cc(nc(c1C=O)Br)Br cia024de7 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.25 c1cc(nc(c1C=O)F)Br cdp218fp2 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.25 c1cc(nc(c1C=O)F)Cl cdp212fp1 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.15 c1cc(cnc1)C(=O)C=O wh081de2 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.15 c1ccnc(c1)C(=O)C=O wh081de3 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.15 c1cnccc1C(=O)C=O wh081de8 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.28 c1cnccc1S(=O)(=O)O a137 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.61 CC(=O)c1c(cccn1)Cl cdp027vp1fp1 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.61 Cc1c(cccn1)C(=O)O cdp048 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.61 Cc1cnccc1C(=O)C cdp263fp2 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.61 Cc1cnccc1C(=O)N cin074 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.61 Cc1cnccc1C(=O)O cdp263 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.61 c1cc(c(nc1)C(=O)N)Cl cdp104vp1de8 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.61 c1cc(c(nc1)C(=O)N)F cdp006fp1 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.61 c1cc(c(nc1)C(=O)O)Br cdp045 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.61 c1cc(c(nc1)C(=O)O)Cl cdp027 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.61 c1cc(c(nc1)C(=O)O)F cdp006 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.61 c1cc(c(nc1)C(=O)O)N ct255 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.61 c1cc(c(nc1)C(=O)O)S cdp157de1 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.61 c1cc(c(nc1)F)C(=O)O cdp072 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.61 c1cc(c(nc1)I)C(=O)O un202de1 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.61 c1cncc(c1C(=O)N)Br ct051fp1 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.61 c1cncc(c1C(=O)N)Cl cdp104vp1de12 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.61 c1cncc(c1C(=O)O)Br ct051 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.61 c1cncc(c1C(=O)O)F cdp252 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.61 c1cncc(c1C(=O)O)N f002a [1,1,0,0,0,0|1,0,0]=3 146 B10R1.61 c1cncc(c1C(=O)O)O f002 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.61 c1cncc(c1C(=O)O)S cdp157de8 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.61 c1cncc(c1Cl)C(=O)N cdp104vp1de10 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.61 c1cncc(c1I)C(=O)O ct438 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.61 c1cncc(c1N)C(=O)O cdp268 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.61 c1cncc(c1O)C(=O)O ct342 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.61 c1cncc(c1S)C(=O)O cdp157de5 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.113 C1C(C=CC=C1C(=O)O)N tj021 [1,1,0,0,0,0|0,0,2]=4 154 B10R1.113 CC(=O)c1cc(ccn1)Br cdp113fp9 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.113 Cc1cc(ccn1)C(=O)N cdp082fp3 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.113 Cc1cc(ccn1)C(=O)O cdp082 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.113 Cc1cc(cnc1)C(=O)N cdp225de1 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.113 Cc1cc(cnc1)C(=O)O cdp225 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.113 Cc1ccnc(c1)C(=O)N cdp081fp3 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.113 Cc1ccnc(c1)C(=O)O cdp081 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.113 c1c(cncc1Br)C(=O)O cdp240vp1 [1,1,0,0,0,0|1,0,0]=3 162 B10R1.113 c1c(cncc1Cl)C(=O)N cdp104vp1de11 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.113 c1c(cncc1Cl)C(=O)O ct036 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.113 c1c(cncc1F)C(=O)N cdp221fp3 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.113 c1c(cncc1I)C(=O)O cdp240fp1 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.113 c1c(cncc1N)C(=O)N cdp240fp2 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.113 c1c(cncc1N)C(=O)O cdp240 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.113 c1c(cncc1S)C(=O)O cdp157de6 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.113 c1cc(nc(c1)Br)C(=O)O cdp202 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.113 c1cc(nc(c1)Cl)C(=O)N cdp104vp1de9 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.113 c1cc(nc(c1)F)C(=O)O cdp191 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.113 c1cc(nc(c1)S)C(=O)O cdp157de4 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.113 c1cnc(cc1Br)C(=O)N cdp113fp7 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.113 c1cnc(cc1Br)C(=O)O cdp113 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.113 c1cnc(cc1C(=O)O)Br cdp128 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.113 c1cnc(cc1C(=O)O)F cdp073 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.113 c1cnc(cc1C(=O)O)N cdp088 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.113 c1cnc(cc1C(=O)O)S cdp157de7 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.113 c1cnc(cc1Cl)C(=O)N cdp104vp1 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.113 c1cnc(cc1Cl)C(=O)O cdp085 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.113 c1cnc(cc1F)C(=O)O un200 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.113 c1cnc(cc1O)C(=O)O cdp108 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.113 c1cnc(cc1S)C(=O)O cdp157de2 [1,1,0,0,0,0|1,0,0]=3 184 B12R1.106 c1cc(ccc1N)OP(=O)(O)O ab025 [0,1,0,0,0,1|2,0,0]=4 185 B12R1.233 Cc1cc(=O)ccn1CC(=O)O cdp100fp6 [0,1,0,0,0,1|1,0,1]=4 186 B12R1.233 c1c(c(cnc1Cl)CC(=O)O)Cl ct010fp4 [0,1,0,0,0,1|2,0,0]=4 187 B12R1.5 CCc1ccc(nc1)C(=O)OC cdp263fp1de11 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.5 COc1ccc(cc1)C(=S)SC ct449 [0,2,0,0,0,0|0,2,0]=4 189 B12R1.5 COc1ccc(nc1)C(=O)OC cdp317vp1 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.5 c1cc(ccc1C#N)C(=O)C=O un111 [0,2,0,0,0,0|1,0,1]=4 191 B12R1.6 c1cc(ccc1[N+]#N)S(=O)(=O)O un365 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.48 B(c1ccc(c(c1)N)OC)(O)O a238 [0,2,0,0,0,0|1,0,1]=4 193 B12R1.48 COc1ccc(nc1Br)C(=O)O ct458 [0,2,0,0,0,0|1,0,0]=3 194 B12R1.113 c1cc(ccc1C(=O)Cl)N=[N+]=[N-] f097 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.113 c1cc(ccc1\C=N\O)C(=O)O un323 [0,2,0,0,0,0|0,0,0]=2 196 B12R1.256 c1cc(ncc1C(=O)O)[N+](=O)[O-] cdp169 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.256 c1cc(ncc1[N+](=O)[O-])C(=O)O cdp165 [0,2,0,0,0,0|1,0,1]=4 198 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O rp039 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.23 c1cc(c(cc1S(=O)(=O)O)O)O un203 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.56 CCc1cc(ccc1N)C(=O)O a108 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.56 COc1c(ccc(n1)C(=O)O)Br rp211de25 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.56 COc1c(ccc(n1)C(=O)O)Cl rp211de29 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.232 Cc1c(cc(c(n1)O)C(=O)O)Cl rp297 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.232 Cc1cc(c(cc1Br)C(=O)O)Br jg081 [0,2,0,0,0,0|1,0,0]=3 205 B12R1.232 Cc1cc(c(nc1C)C(=O)O)C rp211de10 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.232 c1c(c(cc(c1Br)O)Br)C(=O)O jg083 [0,2,0,0,0,0|0,0,0]=2 207 B12R1.232 c1c(c(cc(c1Cl)O)O)C(=O)O f111 [0,2,0,0,0,0|0,0,0]=2 208 B12R1.232 c1c(c(nc(c1Cl)Cl)C(=O)O)Cl rp211de36 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Cl cdp263fp1de18 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.367 COC(=O)c1cc(c(nc1)Cl)O rp211de25lit3 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.367 COC(=O)c1cc(c(nc1)N)N un140fp1 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.367 COC(=O)c1cc(c(nc1)O)Cl cdp263fp1de23 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.367 COC(=O)c1ccc(c(n1)N)N dap16 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.367 Cc1cc(cc[n+]1[O-])C(=O)OC cdp082fp1fp1 [0,2,0,0,0,0|1,0,1]=4 215 B12R1.893 c1c(c(c(c(n1)C(=O)O)Br)Cl)Br cdp108de6 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.893 c1c(c(c(c(n1)C(=O)O)Br)O)Br cdp108de5 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.893 c1c(c(c(c(n1)C(=O)O)Cl)Cl)Cl cdp108de3 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.893 c1c(c(c(c(n1)C(=O)O)Cl)O)Cl cdp108de2 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.893 c1c(c(c(c(n1)C(=O)O)I)Br)I cdp108de2lit4 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.893 c1c(c(c(c(n1)C(=O)O)I)Cl)I cdp108de2lit3 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.893 c1c(c(c(c(n1)C(=O)O)I)O)I cdp108de2lit2 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.893 c1c(c(c(c(n1)Cl)Cl)Cl)C(=O)O rp015 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.1005 Cc1cc(nc(c1C)C)C(=O)O rp211de14 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.1005 c1c(c(c(nc1C(=O)O)I)O)I ct074fp5 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.16 CCOC(=O)c1ccc(cn1)Br cdp145fp5 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.16 CCOC(=O)c1ccc(cn1)C fpzz0302fp4 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.16 CCOC(=O)c1ccc(cn1)Cl cdp183fp2 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.16 CCOC(=O)c1ccc(cn1)F cdp187fp2 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.16 CCOC(=O)c1ccc(cn1)I ct255fp8de6 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.16 CCOC(=O)c1ccc(cn1)O ct074fp8 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.16 CCOC(=O)c1ccc(nc1)Br ct055fp1 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.16 CCOC(=O)c1ccc(nc1)I rp017vp1 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.1703 COC(=O)c1c(cc(cn1)Cl)Cl cdp183fp4 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.1703 COC(=O)c1c(cc(cn1)F)F cdp263fp1de12 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.1703 COC(=O)c1cc[n+](cc1Br)[O-] ct051de1fp3 [0,2,0,0,0,0|1,0,1]=4 236 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl cdp263fp1de30 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)O cdp263fp1de29 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.1703 Cc1cc(ncc1C(=O)OC)C cdp263fp1de31 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.1703 Cc1ccc(c(n1)O)C(=O)OC cdp263fp1de20 [0,2,0,0,0,0|2,0,0]=4 240 B8R1.7 CC(=O)c1ccoc1 f001 [1,0,0,0,1,0|2,0,0]=4 241 B8R1.7 c1c[nH]nc1C(=O)O a078 [1,0,0,0,1,0|2,0,0]=4 242 B8R1.7 c1csc(n1)C(=O)O a079 [1,0,0,0,1,0|2,0,0]=4