0 B9R1.6 CS(=O)c1ccccn1 ct006vp1fp4 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 CS(=O)c1ccncc1 bio026 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.6 c1cc(nnc1)C(=O)O a065 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 c1cc(cnc1)CI cic018 [1,0,0,0,0,0|1,0,1]=3 4 B8R1.2 c1cc(nnc1)CO a065vp [1,0,0,0,0,0|1,0,2]=4 5 B8R1.2 c1ccc(cc1)CI a245 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.2 c1cncnc1C=O a249 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.13 B(c1ccc(nc1)C)(O)O un119 [0,1,0,0,0,0|2,0,1]=4 8 B10R1.13 Cc1ccc(cn1)N(C)C ct051vp1fp2de7 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] cdp160 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 Cc1ccc(nc1)C(=O)N cdp147fp1 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 Cc1ccc(nc1)C(=O)O cdp147 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] un178 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.13 c1cc(ncc1C(=O)O)Br ct055 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.13 c1cc(ncc1C(=O)O)F cdp137 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.13 c1cc(ncc1C(=O)O)I un202 [0,1,0,0,0,0|1,0,0]=2 16 B10R1.13 c1cc(ncc1Cl)C(=O)N cdp104vp1de13 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.13 c1cc(ncc1F)C(=O)N cdp187fp8 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.13 c1cc(ncc1F)C(=O)O cdp187 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.13 c1cc(ncc1I)C(=O)O cdp165de1 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.13 c1cc(ncc1N)C(=O)O ct083 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.13 c1cc(ncc1O)C(=O)O ct074 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.13 c1cc(ncc1S)C(=O)O cdp157de3 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.13 c1cc(ncc1[N+](=O)[O-])F cdp138 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.15 c1cc(cnc1)C(=O)C=O wh081de2 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.15 c1ccnc(c1)C(=O)C=O wh081de3 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.15 c1cnc(cn1)C(=O)C=O wh081de9 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.15 c1cnccc1C(=O)C=O wh081de8 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.28 c1cc(cnc1)S(=O)(=O)N ct044fp2de16 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.61 B(c1cccnc1C)(O)O pb035 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.61 B(c1cnccc1Br)(O)O a005vp2 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.61 B(c1cnccc1C)(O)O un083 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.61 B(c1cnccc1Cl)(O)O a004vp2 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.61 CC(=O)c1c(cccn1)Cl cdp027vp1fp1 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.61 Cc1c(cccn1)C(=O)O cdp048 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.61 Cc1ccncc1N(C)C ct051vp1fp2de1 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.61 Cc1cnccc1C(=O)C cdp263fp2 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.61 Cc1cnccc1C(=O)N cin074 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.61 Cc1cnccc1C(=O)O cdp263 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.61 c1c(c(ncn1)Cl)[N+](=O)[O-] un113de1 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] cdp049 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.61 c1cc(c(nc1)C(=O)N)Cl cdp104vp1de8 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.61 c1cc(c(nc1)C(=O)N)F cdp006fp1 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.61 c1cc(c(nc1)C(=O)O)Br cdp045 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.61 c1cc(c(nc1)C(=O)O)Cl cdp027 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.61 c1cc(c(nc1)C(=O)O)F cdp006 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.61 c1cc(c(nc1)C(=O)O)N ct255 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.61 c1cc(c(nc1)C(=O)O)S cdp157de1 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] cdp038 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.61 c1cc(c(nc1)F)C(=O)O cdp072 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.61 c1cc(c(nc1)F)[N+](=O)[O-] cdp070 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.61 c1cc(c(nc1)I)C(=O)O un202de1 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.61 c1cc(c(nc1)I)[N+](=O)[O-] rp226 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] cdp007 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.61 c1cncc(c1C(=O)N)Br ct051fp1 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.61 c1cncc(c1C(=O)N)Cl cdp104vp1de12 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.61 c1cncc(c1C(=O)O)Br ct051 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.61 c1cncc(c1C(=O)O)F cdp252 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.61 c1cncc(c1C(=O)O)N f002a [0,1,0,0,0,0|3,0,0]=4 59 B10R1.61 c1cncc(c1C(=O)O)O f002 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.61 c1cncc(c1C(=O)O)S cdp157de8 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.61 c1cncc(c1Cl)C(=O)N cdp104vp1de10 [0,1,0,0,0,0|0,0,0]=1 62 B10R1.61 c1cncc(c1I)C(=O)O ct438 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.61 c1cncc(c1N)C(=O)O cdp268 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.61 c1cncc(c1N)[N+](=O)[O-] cdp256 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.61 c1cncc(c1O)C(=O)O ct342 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.61 c1cncc(c1S)C(=O)O cdp157de5 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.113 B(c1cc(cnc1)C)(O)O un080 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.113 C1C(C=CC=C1C(=O)O)N tj021 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.113 CC(=O)c1cc(ccn1)Br cdp113fp9 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.113 Cc1cc(ccn1)C(=O)N cdp082fp3 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.113 Cc1cc(ccn1)C(=O)O cdp082 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.113 Cc1cc(cnc1)C(=O)N cdp225de1 [0,1,0,0,0,0|0,0,0]=1 73 B10R1.113 Cc1cc(cnc1)C(=O)O cdp225 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.113 Cc1cc(cnc1)N(C)C ct051vp1fp2de12a [0,1,0,0,0,0|3,0,0]=4 75 B10R1.113 Cc1ccnc(c1)C(=O)N cdp081fp3 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.113 Cc1ccnc(c1)C(=O)O cdp081 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.113 c1c(cncc1Br)C(=O)O cdp240vp1 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.113 c1c(cncc1Br)[N+](=O)[O-] cdp236 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.113 c1c(cncc1Cl)C(=O)N cdp104vp1de11 [0,1,0,0,0,0|0,0,0]=1 80 B10R1.113 c1c(cncc1Cl)C(=O)O ct036 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.113 c1c(cncc1Cl)[N+](=O)[O-] cdp238 [0,1,0,0,0,0|2,0,0]=3 82 B10R1.113 c1c(cncc1F)C(=O)N cdp221fp3 [0,1,0,0,0,0|0,0,0]=1 83 B10R1.113 c1c(cncc1I)C(=O)O cdp240fp1 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.113 c1c(cncc1N)C(=O)N cdp240fp2 [0,1,0,0,0,0|0,0,0]=1 85 B10R1.113 c1c(cncc1N)C(=O)O cdp240 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.113 c1c(cncc1O)[N+](=O)[O-] cdp248 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.113 c1c(cncc1S)C(=O)O cdp157de6 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.113 c1c(cncc1[N+](=O)[O-])N cdp223 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.113 c1cc(nc(c1)Br)C(=O)O cdp202 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.113 c1cc(nc(c1)Cl)C(=O)N cdp104vp1de9 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.113 c1cc(nc(c1)F)C(=O)O cdp191 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.113 c1cc(nc(c1)S)C(=O)O cdp157de4 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.113 c1cnc(cc1Br)C(=O)N cdp113fp7 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.113 c1cnc(cc1Br)C(=O)O cdp113 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.113 c1cnc(cc1C(=O)O)Br cdp128 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.113 c1cnc(cc1C(=O)O)F cdp073 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.113 c1cnc(cc1C(=O)O)N cdp088 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.113 c1cnc(cc1C(=O)O)S cdp157de7 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.113 c1cnc(cc1Cl)C(=O)N cdp104vp1 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.113 c1cnc(cc1Cl)C(=O)O cdp085 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.113 c1cnc(cc1F)C(=O)O un200 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.113 c1cnc(cc1O)C(=O)O cdp108 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.113 c1cnc(cc1S)C(=O)O cdp157de2 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.7 CC(=O)c1ccoc1 f001 [0,0,0,0,1,0|2,0,0]=3 105 B8R1.7 c1c[nH]nc1C(=O)O a078 [0,0,0,0,1,0|2,0,0]=3 106 B8R1.7 c1csc(n1)C(=O)O a079 [0,0,0,0,1,0|2,0,0]=3 107 B8R1.7 c1cscc1[N+](=O)[O-] un070lit3 [0,0,0,0,1,0|3,0,0]=4 108 B10R1.18 c1cnc(cn1)NC(=S)N dx010 [0,0,0,0,0,1|1,1,0]=3 109 B7R0.1 C(=C\C=O)/C=C/C=O tox013 [1,0,1,0,0,0|2,0,0]=4 110 B7R1.3 c1cc(nnc1)O jg113 [2,0,0,0,0,0|1,0,1]=4 111 B7R1.3 c1cnncc1N ct267 [2,0,0,0,0,0|1,0,0]=3 112 B9R1.1 COc1ccc(nc1)Cl cdp172fp2 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.1 COc1ccc(nc1)F ct074fp3vp1de5 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.1 COc1ccc(nc1)O rp224 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.1 Cc1ccc(cn1)NC ct051vp1fp2de6 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.1 Cc1ccc(cn1)OC rp054 [1,1,0,0,0,0|2,0,0]=4 117 B9R1.1 c1cc(ncc1C#N)F rp109 [1,1,0,0,0,0|0,0,2]=4 118 B9R1.1 c1cc(ncc1C=O)I rp017 [1,1,0,0,0,0|0,0,0]=2 119 B9R1.1 c1cc(ncc1CBr)Br fpzz0302fp2 [1,1,0,0,0,0|1,0,1]=4 120 B9R1.1 c1cc(ncc1CO)I rp017vp2 [1,1,0,0,0,0|0,0,2]=4 121 B9R1.1 c1cc(ncc1O)C=O un184 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.2 COc1cc(cnc1)Cl rp120 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.2 Cc1cc(ccn1)C=O cia032 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.2 Cc1cc(cnc1)CCl cdp225fp2 [1,1,0,0,0,0|1,0,1]=4 125 B9R1.2 Cc1cc(cnc1)CO cdp225fp3 [1,1,0,0,0,0|0,0,2]=4 126 B9R1.2 Cc1cc(cnc1)NC ct051vp1fp2de12 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.2 Cc1cc(cnc1)OC ct074fp3vp1de6 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.2 c1c(cncc1Br)CO cdp240vp1fp1 [1,1,0,0,0,0|0,0,2]=4 129 B9R1.2 c1c(cncc1Cl)C#N cdp027vp1de2 [1,1,0,0,0,0|0,0,2]=4 130 B9R1.2 c1c(cncc1N)CO cdp240fp3fp1 [1,1,0,0,0,0|0,0,2]=4 131 B9R1.2 c1c(cncc1O)C=O cia038de1 [1,1,0,0,0,0|0,0,0]=2 132 B9R1.2 c1c(cncc1O)CO cdp240fp3fp2 [1,1,0,0,0,0|0,0,2]=4 133 B9R1.2 c1cc(c[n+](c1)[O-])NN cdp027vp2fp7de1 [1,1,0,0,0,0|1,0,1]=4 134 B9R1.2 c1cc(nc(c1)O)C=O un195 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.2 c1cnc(cc1Br)C=O cdp113fp1 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.2 c1cnc(cc1C=O)Br cia021 [1,1,0,0,0,0|2,0,0]=4 137 B9R1.2 c1cnc(cc1C=O)Cl cia025 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.2 c1cnc(cc1C=O)F cia020 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.2 c1cnc(cc1C=O)O cia015 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.2 c1cnc(cc1Cl)C=O un125 [1,1,0,0,0,0|2,0,0]=4 141 B9R1.8 c1ccc(cc1)C#N=O jmc047 [1,1,0,0,0,0|1,0,1]=4 142 B9R1.8 c1ccc(cc1)\C=N\N un308 [1,1,0,0,0,0|1,0,0]=3 143 B9R1.15 CCc1cccnc1O a006de13 [1,1,0,0,0,0|1,0,1]=4 144 B9R1.15 COc1cnccc1Cl ct074fp3vp1de9 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.15 Cc1c(cccn1)OC ct074fp3vp1de1 [1,1,0,0,0,0|2,0,0]=4 146 B9R1.15 Cc1ccncc1C=O ct051vp1fp3 [1,1,0,0,0,0|0,0,0]=2 147 B9R1.15 Cc1ccncc1NC ct051vp1fp2 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.15 Cc1ccncc1OC ct051vp1fp10 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.15 Cc1cnccc1C=O cia026 [1,1,0,0,0,0|2,0,0]=4 150 B9R1.15 c1cc(c(nc1)C=O)Cl un125de1 [1,1,0,0,0,0|2,0,0]=4 151 B9R1.15 c1cc(c(nc1)C=O)N ct255fp3fp9 [1,1,0,0,0,0|2,0,0]=4 152 B9R1.15 c1cncc(c1Br)C=O cia024de4 [1,1,0,0,0,0|0,0,0]=2 153 B9R1.15 c1cncc(c1C=O)Cl cia027 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.15 c1cncc(c1C=O)F cia035 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.15 c1cncc(c1C=O)N cia033 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.15 c1cncc(c1C=O)O cia038 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.15 c1cncc(c1O)C=O rp183 [1,1,0,0,0,0|0,0,0]=2 158 B9R1.15 c1cncc(c1O)CO f002fp1fp3de1 [1,1,0,0,0,0|0,0,2]=4 159 B9R1.11 c1c(scn1)C(=O)C=O wh081de7 [0,1,0,0,1,0|2,0,0]=4 160 B9R1.11 c1cc([nH]c1)C(=O)C=O wh081de16 [0,1,0,0,1,0|1,0,1]=4 161 B9R1.11 c1cc(oc1)C(=O)C=O wh081de13 [0,1,0,0,1,0|2,0,0]=4 162 B9R1.11 c1cc(sc1)C(=O)C=O wh081de11 [0,1,0,0,1,0|2,0,0]=4 163 B9R1.11 c1cscc1C(=O)C=O wh081de4 [0,1,0,0,1,0|2,0,0]=4 164 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 tj007 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.20 CC(=O)Oc1ccc(=O)[nH]c1 f011fp2 [0,1,0,0,0,1|1,0,1]=4 166 B11R1.20 Cc1ccc(cn1)NC(=S)N cdp146fp15 [0,1,0,0,0,1|0,1,0]=3 167 B11R1.36 C=C(c1ccccc1)C(=O)O f066 [0,1,0,0,0,1|2,0,0]=4 168 B11R1.36 CC(c1ccccc1)C(=O)N jmc043 [0,1,0,0,0,1|1,0,0]=3 169 B11R1.157 c1cnc(cc1Cl)NC(=O)N cdp112fp23 [0,1,0,0,0,1|2,0,0]=4 170 B11R1.509 c1ccc(cc1)OS(=O)(=O)N jmc011 [0,1,0,0,0,1|2,0,0]=4 171 B11R1.3 CC(=O)c1ccc(nc1)C#N cdp027vp1de8 [0,2,0,0,0,0|1,0,0]=3 172 B11R1.3 CC(=O)c1ccc(nc1)CO cia036lit3de4 [0,2,0,0,0,0|1,0,0]=3 173 B11R1.3 c1cc(ncc1C(=O)O)NN a252vp1 [0,2,0,0,0,0|1,0,0]=3 174 B11R1.3 c1cc(ncc1[N+](=O)[O-])C#N cdp165vp1 [0,2,0,0,0,0|2,0,0]=4 175 B11R1.3 c1cc(ncc1[N+](=O)[O-])C=O cdp160fp1 [0,2,0,0,0,0|2,0,0]=4 176 B11R1.19 Cc1ccc(cn1)S(=O)(=O)N ct044fp1de2 [0,2,0,0,0,0|1,0,0]=3 177 B11R1.19 Cc1ccc(cn1)S(=O)(=O)O cdp148 [0,2,0,0,0,0|2,0,0]=4 178 B11R1.19 c1cc(ncc1S(=O)(=O)N)Cl ct435 [0,2,0,0,0,0|1,0,0]=3 179 B11R1.19 c1cc(ncc1S(=O)(=O)O)Cl cdp159 [0,2,0,0,0,0|2,0,0]=4 180 B11R1.19 c1cc(ncc1S(=O)(=O)O)N cdp156 [0,2,0,0,0,0|2,0,0]=4 181 B11R1.19 c1cc(ncc1S(=O)(=O)O)O cdp151 [0,2,0,0,0,0|2,0,0]=4 182 B11R1.21 Cc1cc(cnc1C)C(=O)O ct077de1 [0,2,0,0,0,0|1,0,0]=3 183 B11R1.21 c1c(cnc(c1Br)Br)C(=O)O un145 [0,2,0,0,0,0|1,0,0]=3 184 B11R1.21 c1c(cnc(c1Br)Cl)[N+](=O)[O-] cdp236vp2 [0,2,0,0,0,0|2,0,0]=4 185 B11R1.21 c1c(cnc(c1Br)I)C(=O)O cdp240vp1fp4 [0,2,0,0,0,0|1,0,0]=3 186 B11R1.21 c1c(cnc(c1Br)N)C(=O)N abp002 [0,2,0,0,0,0|0,0,0]=2 187 B11R1.21 c1c(cnc(c1Br)O)[N+](=O)[O-] cdp236vp3 [0,2,0,0,0,0|2,0,0]=4 188 B11R1.21 c1c(cnc(c1Br)S)[N+](=O)[O-] cdp157de13 [0,2,0,0,0,0|2,0,0]=4 189 B11R1.21 c1c(cnc(c1Cl)Br)[N+](=O)[O-] cdp238vp1fp1 [0,2,0,0,0,0|2,0,0]=4 190 B11R1.21 c1c(cnc(c1Cl)Cl)[N+](=O)[O-] cdp238vp2 [0,2,0,0,0,0|2,0,0]=4 191 B11R1.21 c1c(cnc(c1Cl)N)C(=O)N acp003 [0,2,0,0,0,0|0,0,0]=2 192 B11R1.21 c1c(cnc(c1Cl)N)C(=O)O acp005 [0,2,0,0,0,0|1,0,0]=3 193 B11R1.21 c1c(cnc(c1Cl)O)[N+](=O)[O-] cdp238vp1 [0,2,0,0,0,0|2,0,0]=4 194 B11R1.21 c1c(cnc(c1Cl)S)[N+](=O)[O-] cdp157de12 [0,2,0,0,0,0|2,0,0]=4 195 B11R1.21 c1c(cnc(c1F)N)[N+](=O)[O-] cdp047fp2 [0,2,0,0,0,0|2,0,0]=4 196 B11R1.21 c1c(cnc(c1I)Br)[N+](=O)[O-] rp175 [0,2,0,0,0,0|2,0,0]=4 197 B11R1.21 c1c(cnc(c1I)S)[N+](=O)[O-] cdp157de14 [0,2,0,0,0,0|2,0,0]=4 198 B11R1.21 c1c(cnc(c1N)N)[N+](=O)[O-] cdp104fp6de4 [0,2,0,0,0,0|2,0,0]=4 199 B11R1.21 c1c(cnc(c1O)N)[N+](=O)[O-] cdp104fp6de20 [0,2,0,0,0,0|2,0,0]=4 200 B11R1.21 c1cc(c(cc1C(=O)O)Br)N ps016 [0,2,0,0,0,0|2,0,0]=4 201 B11R1.22 CNC(=O)c1ccc(cn1)Cl cdp183fp7 [0,2,0,0,0,0|2,0,0]=4 202 B11R1.22 CNC(=O)c1ccc(cn1)F cdp187fp5 [0,2,0,0,0,0|2,0,0]=4 203 B11R1.22 COC(=O)c1ccc(nc1)I cdp263fp1de26 [0,2,0,0,0,0|1,0,0]=3 204 B11R1.22 Cc1ccc(nc1)C(=O)NN cdp147fp2 [0,2,0,0,0,0|2,0,0]=4 205 B11R1.22 c1cc(ncc1F)C(=O)NN cdp187fp6 [0,2,0,0,0,0|2,0,0]=4 206 B11R1.166 Cc1c(ccc(n1)N)C(=O)O rp107 [0,2,0,0,0,0|1,0,0]=3 207 B11R1.166 Cc1cc(c(cn1)[N+](=O)[O-])N cdp316fp7 [0,2,0,0,0,0|2,0,0]=4 208 B11R1.166 Cc1cc(ncc1C(=O)O)C ct077 [0,2,0,0,0,0|1,0,0]=3 209 B11R1.166 c1c(c(cnc1Br)C(=O)O)Br ct010vp1fp2fp1 [0,2,0,0,0,0|1,0,0]=3 210 B11R1.166 c1c(c(cnc1Br)[N+](=O)[O-])Br rp075 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.166 c1c(c(cnc1Br)[N+](=O)[O-])N ct088fp2 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.166 c1c(c(cnc1Br)[N+](=O)[O-])O cdp119fp8 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl ct365 [0,2,0,0,0,0|1,0,0]=3 214 B11R1.166 c1c(c(cnc1Cl)[N+](=O)[O-])Cl rp076 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.166 c1c(c(cnc1Cl)[N+](=O)[O-])N rp100 [0,2,0,0,0,0|2,0,0]=4 216 B11R1.166 c1c(c(cnc1F)[N+](=O)[O-])N dap24vp1 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.166 c1c(c(cnc1N)[N+](=O)[O-])Br cdp131fp2 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.166 c1c(c(cnc1N)[N+](=O)[O-])Cl cdp104fp7 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.166 c1c(c(cnc1N)[N+](=O)[O-])N cdp074fp7 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.166 c1c(c(cnc1N)[N+](=O)[O-])O cdp104fp6de35 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.166 c1c(c(cnc1O)[N+](=O)[O-])Cl rp012 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.166 c1cc(nc(c1C(=O)O)O)N cdp194fp6 [0,2,0,0,0,0|1,0,0]=3 223 B11R1.166 c1cc(nc(c1[N+](=O)[O-])Br)N rp049vp1fp4 [0,2,0,0,0,0|2,0,0]=4 224 B11R1.166 c1cc(nc(c1[N+](=O)[O-])Br)O rp188 [0,2,0,0,0,0|2,0,0]=4 225 B11R1.166 c1cc(nc(c1[N+](=O)[O-])Cl)N cdp206fp1 [0,2,0,0,0,0|2,0,0]=4 226 B11R1.166 c1cc(nc(c1[N+](=O)[O-])F)F rp207 [0,2,0,0,0,0|2,0,0]=4 227 B11R1.166 c1cc(nc(c1[N+](=O)[O-])F)N cdp104fp6de10 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.166 c1cc(nc(c1[N+](=O)[O-])N)Br rp193 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.166 c1cc(nc(c1[N+](=O)[O-])N)Cl cdp206fp1np [0,2,0,0,0,0|2,0,0]=4 230 B11R1.166 c1cc(nc(c1[N+](=O)[O-])N)F cdp192fp7 [0,2,0,0,0,0|2,0,0]=4 231 B11R1.12 c1ccc(cc1)\C(=C/Br)\C=O cdp180vp2fp3 [0,2,0,0,0,0|2,0,0]=4 232 B11R1.12 c1ccc(cc1)\C(=C\N)\C#N pw043 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.23 CNC(=O)c1cc(ccn1)Cl cdp104vp1de1 [0,2,0,0,0,0|2,0,0]=4 234 B11R1.23 COC(=O)c1cc(cnc1)Cl ct036fp1 [0,2,0,0,0,0|1,0,0]=3 235 B11R1.23 COC(=O)c1cc(cnc1)F cdp221fp1 [0,2,0,0,0,0|1,0,0]=3 236 B11R1.23 COC(=O)c1cc(cnc1)I ct255fp8de4 [0,2,0,0,0,0|1,0,0]=3 237 B11R1.23 COC(=O)c1cc(cnc1)N cdp240fp3 [0,2,0,0,0,0|1,0,0]=3 238 B11R1.222 COC(=O)c1cnccc1Br cdp282fp1 [0,2,0,0,0,0|1,0,0]=3 239 B11R1.222 COC(=O)c1cnccc1Cl cdp270fp1 [0,2,0,0,0,0|1,0,0]=3 240 B11R1.222 COC(=O)c1cnccc1I ct255fp8de3 [0,2,0,0,0,0|1,0,0]=3 241 B11R1.87 Cc1c(cccn1)S(=O)(=O)N ct044fp2de21 [0,2,0,0,0,0|1,0,0]=3 242 B11R1.87 Cc1c(cccn1)S(=O)(=O)O cdp136de1 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.87 Cc1ccncc1S(=O)(=O)N ct044fp1de1 [0,2,0,0,0,0|1,0,0]=3 244 B11R1.87 Cc1ccncc1S(=O)(=O)O cdp265 [0,2,0,0,0,0|2,0,0]=4 245 B11R1.87 c1cc(c(nc1)Cl)S(=O)(=O)N ct044fp2de17 [0,2,0,0,0,0|1,0,0]=3 246 B11R1.87 c1cc(c(nc1)Cl)S(=O)(=O)O cdp059 [0,2,0,0,0,0|2,0,0]=4 247 B11R1.87 c1cc(c(nc1)N)S(=O)(=O)O cdp053 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.87 c1cc(c(nc1)O)S(=O)(=O)O cdp058 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.87 c1cncc(c1Cl)S(=O)(=O)O ct058 [0,2,0,0,0,0|2,0,0]=4 250 B11R1.155 Cc1cc(cnc1)S(=O)(=O)N ct044fp1 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.155 Cc1cc(cnc1)S(=O)(=O)O ct044 [0,2,0,0,0,0|2,0,0]=4 252 B11R1.155 c1c(cncc1S(=O)(=O)O)N cdp156de1 [0,2,0,0,0,0|2,0,0]=4 253 B11R1.53 COc1ccncc1C(=O)O ct342lit1 [0,2,0,0,0,0|1,0,0]=3 254 B11R1.53 c1cc(c(nc1)CBr)[N+](=O)[O-] cdp050fp1 [0,2,0,0,0,0|2,0,0]=4 255 B11R1.53 c1cc(c(nc1)NN)C(=O)O a252vp1de1 [0,2,0,0,0,0|1,0,0]=3 256 B11R1.53 c1cncc(c1C=O)[N+](=O)[O-] cia017 [0,2,0,0,0,0|2,0,0]=4 257 B11R1.156 Cc1c(c(ccn1)Br)[N+](=O)[O-] cdp100fp5 [0,2,0,0,0,0|2,0,0]=4 258 B11R1.156 Cc1c(c(ccn1)Cl)[N+](=O)[O-] cdp316fp11 [0,2,0,0,0,0|2,0,0]=4 259 B11R1.156 Cc1c(c(ccn1)N)[N+](=O)[O-] cdp316fp8 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.156 Cc1c(c(ccn1)O)[N+](=O)[O-] cdp316fp10 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.156 c1cnc(c(c1Br)[N+](=O)[O-])N cdp131fp1 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.156 c1cnc(c(c1Cl)C(=O)O)F cdp118fp2 [0,2,0,0,0,0|1,0,0]=3 263 B11R1.156 c1cnc(c(c1Cl)C(=O)O)O un236 [0,2,0,0,0,0|1,0,0]=3 264 B11R1.156 c1cnc(c(c1Cl)[N+](=O)[O-])Cl cdp104de1 [0,2,0,0,0,0|2,0,0]=4 265 B11R1.156 c1cnc(c(c1Cl)[N+](=O)[O-])N cdp104fp6 [0,2,0,0,0,0|2,0,0]=4 266 B11R1.156 c1cnc(c(c1N)C(=O)O)O un237 [0,2,0,0,0,0|1,0,0]=3 267 B11R1.156 c1cnc(c(c1N)[N+](=O)[O-])Br ct088fp3 [0,2,0,0,0,0|2,0,0]=4 268 B11R1.156 c1cnc(c(c1N)[N+](=O)[O-])Cl cdp092fp2 [0,2,0,0,0,0|2,0,0]=4 269 B11R1.156 c1cnc(c(c1N)[N+](=O)[O-])F dap35vp1 [0,2,0,0,0,0|2,0,0]=4 270 B11R1.156 c1cnc(c(c1N)[N+](=O)[O-])N cdp074fp6 [0,2,0,0,0,0|2,0,0]=4 271 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])Br cdp119fp7 [0,2,0,0,0,0|2,0,0]=4 272 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])N cdp104fp6de34 [0,2,0,0,0,0|2,0,0]=4 273 B11R1.159 Cc1cncc(c1C)C(=O)O ct077de4 [0,2,0,0,0,0|1,0,0]=3 274 B11R1.159 Cc1cncc(c1C)[N+](=O)[O-] rp256 [0,2,0,0,0,0|2,0,0]=4 275 B11R1.159 Cc1cncc(c1N)[N+](=O)[O-] cdp257fp3 [0,2,0,0,0,0|2,0,0]=4 276 B11R1.159 Cc1cncc(c1O)[N+](=O)[O-] cdp316fp10de3 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.159 c1c(c(c(cn1)Br)I)C(=O)O cdp240vp1fp3 [0,2,0,0,0,0|1,0,0]=3 278 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O cdp268fp3 [0,2,0,0,0,0|1,0,0]=3 279 B11R1.159 c1c(c(c(cn1)Cl)N)[N+](=O)[O-] cdp285fp1 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.159 c1c(c(c(cn1)Cl)O)[N+](=O)[O-] rp113 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.159 c1c(c(c(cn1)F)N)[N+](=O)[O-] cdp259fp1 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.159 c1c(c(c(cn1)N)N)C(=O)O dap036 [0,2,0,0,0,0|1,0,0]=3 283 B11R1.159 c1c(c(c(cn1)[N+](=O)[O-])N)N cdp156fp1lit19 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.159 c1cnc(c(c1C(=O)N)N)Cl cin017 [0,2,0,0,0,0|2,0,0]=4 285 B11R1.167 Cc1c(cc(cn1)Br)[N+](=O)[O-] rp004 [0,2,0,0,0,0|2,0,0]=4 286 B11R1.167 Cc1cc(c(nc1)C)[N+](=O)[O-] cdp224de1 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O rp124 [0,2,0,0,0,0|1,0,0]=3 288 B11R1.167 Cc1cc(c(nc1)F)C(=O)O un206 [0,2,0,0,0,0|1,0,0]=3 289 B11R1.167 Cc1cc(c(nc1)F)[N+](=O)[O-] un164 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.167 c1c(cnc(c1C(=O)O)F)F rp010 [0,2,0,0,0,0|1,0,0]=3 291 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl un204 [0,2,0,0,0,0|1,0,0]=3 292 B11R1.167 c1c(cnc(c1[N+](=O)[O-])Br)N s007fp1 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.74 c1c(c[n+](cc1F)[O-])C(=O)O cdp221fp2 [0,2,0,0,0,0|1,0,1]=4 294 B11R1.266 c1cc([nH]\c(=N\N)\c1)C(=O)N un385 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.266 c1cc(cc(c1)C(=O)O)CO tv010 [0,2,0,0,0,0|2,0,0]=4 296 B9R1.69 c1c(c(=O)[nH]c(n1)Cl)F dn021 [0,0,1,1,0,0|2,0,0]=4 297 B11R2.10 Cc1cc2ccncc2o1 f002fp4 [0,0,0,1,0,1|2,0,0]=4 298 B11R2.10 Cc1cc2cnccc2[nH]1 cdp257fp5 [0,0,0,1,0,1|1,0,0]=3 299 B11R2.10 Cc1nc2ccncc2s1 cdp027vp2fp3 [0,0,0,1,0,1|1,0,1]=4 300 B11R2.10 c1cc2c([nH]c(=S)s2)nc1 cdp036fp3 [0,0,0,1,0,1|0,1,0]=3 301 B11R2.10 c1cc2c(nc1)sc(=S)[nH]2 fpzz0004fp2 [0,0,0,1,0,1|1,1,0]=4 302 B11R2.1 Cc1c[nH]c2c1cccn2 cin105vpfp4 [0,1,0,1,0,0|1,0,0]=3 303 B11R2.1 c1cc2c(c(=O)[nH][nH]2)nc1 ct255fp6 [0,1,0,1,0,0|2,0,0]=4 304 B11R2.1 c1ccc2c(c1)c(cs2)N un070de6 [0,1,0,1,0,0|1,1,0]=4 305 B11R2.1 c1cncc2c1c(=O)[nH]o2 f002fp1fp1 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.1 C=Cc1ccsc1 a214 [1,0,0,0,1,0|2,0,0]=4