0 B7R1.3 c1cc(nnc1)O jg113 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 c1cnncc1N ct267 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 c1cc(cnc1)CI cic018 [0,1,0,0,0,0|2,0,0]=3 3 B8R1.2 c1cc(nnc1)CO a065vp [0,1,0,0,0,0|2,0,0]=3 4 B8R1.2 c1ccc(cc1)CI a245 [0,1,0,0,0,0|1,0,0]=2 5 B8R1.2 c1cncnc1C=O a249 [0,1,0,0,0,0|2,0,1]=4 6 B8R1.3 Cc1ccc(cn1)Br cdp145 [0,1,0,0,0,0|2,0,0]=3 7 B8R1.3 Cc1ccc(cn1)I cdp146fp3 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.3 Cc1ccc(nc1)I fpzz0302fp5 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.3 Cc1ccc(nc1)O cdp139 [0,1,0,0,0,0|1,0,0]=2 10 B8R1.3 Cc1cnc(nc1)O ct360de2 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.3 Cc1ncc(cn1)Cl ct356de4 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.3 Cc1ncc(cn1)O ct360de4 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.3 c1cc(ncc1Br)F a115 [0,1,0,0,0,0|2,0,0]=3 14 B8R1.3 c1cc(ncc1Br)S cdp157de10 [0,1,0,0,0,0|1,1,0]=3 15 B8R1.3 c1cc(ncc1Cl)F cdp141 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.3 c1cc(ncc1Cl)S cdp157de9 [0,1,0,0,0,0|1,1,0]=3 17 B8R1.3 c1cc(ncc1F)Cl cdp168 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.3 c1cc(ncc1F)F cdp182 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.3 c1cc(ncc1F)I un137 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.3 c1cc(ncc1F)N cdp161 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.3 c1cc(ncc1I)S cdp157de11 [0,1,0,0,0,0|1,1,0]=3 22 B8R1.3 c1cc(ncc1N)F cdp142 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.3 c1cc(ncc1N)O f009 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.3 c1cc(ncc1N)S cdp157de15 [0,1,0,0,0,0|1,1,0]=3 25 B8R1.3 c1cc(ncc1O)Cl cdp172 [0,1,0,0,0,0|1,0,0]=2 26 B8R1.3 c1cc(ncc1O)O f011 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.3 c1cc(nnc1Br)Br ct254 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.4 Cc1cc(ccn1)Br cdp107 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.4 Cc1cc(ccn1)Cl cdp080 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.4 Cc1cc(ccn1)F cdp075 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.4 Cc1cc(ccn1)I cdp316fp1 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.4 Cc1cc(ccn1)O cdp100 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.4 Cc1cc(cnc1)Br cdp226 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.4 Cc1cc(cnc1)Cl cdp237 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.4 Cc1cc(cnc1)F cdp222 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.4 Cc1cc(cnc1)I cdp146fp3de1 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.4 Cc1cc(cnc1)N cdp227 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.4 Cc1cc(cnc1)O cdp244 [0,1,0,0,0,0|1,0,0]=2 39 B8R1.4 Cc1cc(ncn1)Br ct356de11 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.4 Cc1cc(ncn1)Cl ct356 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.4 Cc1cc(ncn1)N ct356fp4 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.4 Cc1cc(ncn1)O ct360 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.4 Cc1cccc(n1)I rp205 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.4 Cc1cccc(n1)O cdp208 [0,1,0,0,0,0|1,0,0]=2 45 B8R1.4 Cc1ccnc(c1)I cdp146fp3de2 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.4 Cc1ccnc(c1)S cdp200de1 [0,1,0,0,0,0|1,1,0]=3 47 B8R1.4 c1c(cn[nH]c1=O)I fpzz0082fp13 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.4 c1c(cncc1Br)Cl cdp245 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.4 c1c(cncc1Br)F a114 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.4 c1c(cncc1Cl)N cdp239 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.4 c1c(cncc1F)O cdp249 [0,1,0,0,0,0|1,0,0]=2 52 B8R1.4 c1c(cncc1I)I rp068 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.4 c1c(cncc1N)N cdp230 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.4 c1c(cncc1O)N cdp228 [0,1,0,0,0,0|1,0,0]=2 55 B8R1.4 c1c(cncc1O)O cdp229 [0,1,0,0,0,0|1,0,0]=2 56 B8R1.4 c1c(cnnc1Cl)N ct267lit2 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.4 c1c[nH]c(=O)cc1Br a007 [0,1,0,0,0,0|1,0,1]=3 58 B8R1.4 c1c[nH]c(=O)oc1=O nh008 [0,1,0,0,0,0|2,0,1]=4 59 B8R1.4 c1cc(c[n+](c1)[O-])Cl cdp027vp2 [0,1,0,0,0,0|1,0,1]=3 60 B8R1.4 c1cc(nc(c1)Br)Cl cdp211 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.4 c1cc(nc(c1)Br)F cdp218 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.4 c1cc(nc(c1)Cl)N cdp206 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.4 c1cc(nc(c1)F)N cdp192 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.4 c1cc(nc(c1)F)O cdp213 [0,1,0,0,0,0|1,0,0]=2 65 B8R1.4 c1cc(nc(c1)S)S cdp217np1 [0,1,0,0,0,0|1,1,0]=3 66 B8R1.4 c1cnc(cc1Br)Br ct069 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.4 c1cnc(cc1Br)F cdp135 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.4 c1cnc(cc1Br)N cdp131 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.4 c1cnc(cc1Cl)Cl cdp112 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.4 c1cnc(cc1Cl)O a006 [0,1,0,0,0,0|1,0,0]=2 71 B8R1.4 c1cnc(cc1F)Cl cdp117 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.4 c1cnc(cc1F)F cdp116 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.4 c1cnc(cc1F)O cdp132 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.4 c1cnc(cc1I)I cdp112fp4 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.4 c1cnc(cc1I)N un167 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.4 c1cnc(cc1N)N cdp074 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.4 c1cnc(cc1N)O un001 [0,1,0,0,0,0|1,0,0]=2 78 B8R1.4 c1cnc(cc1O)Br cdp119 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.4 c1cnc(cc1O)F cdp106 [0,1,0,0,0,0|1,0,0]=2 80 B8R1.4 c1cnc(cc1O)N cdp115 [0,1,0,0,0,0|1,0,0]=2 81 B8R1.4 c1cnc(nc1N)Cl ct355 [0,1,0,0,0,0|3,0,0]=4 82 B8R1.5 Cc1c(cccn1)F un146 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.5 Cc1c(cccn1)I cdp062fp1 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.5 Cc1c(cncn1)O ct360de5 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.5 Cc1cccnc1F cdp065 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.5 Cc1ccncc1Br ct051vp1 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.5 Cc1ccncc1F cdp253 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.5 Cc1ccncc1I cdp146fp3de3 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.5 Cc1ccncc1O cdp254 [0,1,0,0,0,0|1,0,0]=2 90 B8R1.5 Cc1cnccc1Br cdp269 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.5 Cc1cnccc1F cdp290 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.5 Cc1cnccc1I cdp257fp1 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.5 Cc1cnccc1N cdp257 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.5 Cc1cnccc1O cdp287 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.5 Cc1cncnc1Cl ct356de3 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.5 Cc1cncnc1O ct360de3 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.5 c1cc(c(nc1)Br)F cdp034 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.5 c1cc(c(nc1)Br)N cdp035 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.5 c1cc(c(nc1)Cl)F cdp052 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.5 c1cc(c(nc1)F)Br a112 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.5 c1cc(c(nc1)F)Cl cdp071 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.5 c1cc(c(nc1)F)F cdp069 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.5 c1cc(c(nc1)F)N cdp067 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.5 c1cc(c(nc1)F)O cdp005 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.5 c1cc(c(nc1)N)Cl cdp036 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.5 c1cc(c(nc1)N)F cdp047 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.5 c1cc(c(nc1)O)Br cdp055 [0,1,0,0,0,0|1,0,0]=2 108 B8R1.5 c1cc(c(nc1)O)Cl cdp056 [0,1,0,0,0,0|1,0,0]=2 109 B8R1.5 c1cc(c(nc1)O)F cdp068 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.5 c1cc(c(nc1)O)I a006de6 [0,1,0,0,0,0|1,0,0]=2 111 B8R1.5 c1cc(c(nc1)O)N cdp026 [0,1,0,0,0,0|1,0,0]=2 112 B8R1.5 c1cc(c(nc1)O)O cdp021 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.5 c1cn[nH]c(=O)c1N fpzz0082fp7 [0,1,0,0,0,0|2,0,1]=4 114 B8R1.5 c1cncc(c1Br)F cdp260 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.5 c1cncc(c1Cl)F cdp106de3 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.5 c1cncc(c1Cl)O a004 [0,1,0,0,0,0|1,0,0]=2 117 B8R1.5 c1cncc(c1F)Br a113 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.5 c1cncc(c1F)Cl un136 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.5 c1cncc(c1F)F cdp300 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.5 c1cncc(c1F)O un190 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.5 c1cncc(c1N)Cl cdp285 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.5 c1cncc(c1N)F cdp259 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.5 c1cncc(c1N)O un005 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.5 c1cncc(c1O)Cl cdp303 [0,1,0,0,0,0|1,0,0]=2 125 B8R1.5 c1cncc(c1O)F cdp288 [0,1,0,0,0,0|1,0,0]=2 126 B8R1.5 c1cncc(c1O)O cdp271 [0,1,0,0,0,0|1,0,0]=2 127 B8R1.5 c1cnnc(c1N)Br ct267fp1 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.4 C(\C=C\C(=O)O)N tj019 [0,0,1,0,0,0|2,0,1]=4 129 B6R1.2 c1c(ocn1)N un287 [0,0,0,0,1,0|3,0,0]=4 130 B6R1.2 c1c[nH]nc1Br ct455 [0,0,0,0,1,0|3,0,0]=4 131 B6R1.2 c1cc(sc1)N un070de1 [0,0,0,0,1,0|2,0,0]=3 132 B6R1.2 c1cscc1N un070 [0,0,0,0,1,0|2,0,0]=3 133 B7R0.1 C(=C\C=O)/C=C/C=O tox013 [0,1,1,0,0,0|0,0,1]=3 134 B7R1.1 C=Cc1ccsc1 a214 [0,1,0,0,1,0|2,0,0]=4 135 B7R1.1 c1cocc1CBr fpzz0131fp1 [0,1,0,0,1,0|2,0,0]=4 136 B7R1.2 Cc1cc(cs1)N un070de2 [0,1,0,0,1,0|2,0,0]=4 137 B7R1.4 Cc1cscc1N un070de3 [0,1,0,0,1,0|2,0,0]=4 138 B9R1.1 CCc1ccc(cn1)N s006fp2 [0,2,0,0,0,0|2,0,0]=4 139 B9R1.1 CCc1ccc(cn1)O cdp254de7 [0,2,0,0,0,0|1,0,0]=3 140 B9R1.1 COc1ccc(nc1)Cl cdp172fp2 [0,2,0,0,0,0|1,0,0]=3 141 B9R1.1 COc1ccc(nc1)F ct074fp3vp1de5 [0,2,0,0,0,0|1,0,0]=3 142 B9R1.1 COc1ccc(nc1)O rp224 [0,2,0,0,0,0|1,0,0]=3 143 B9R1.1 Cc1ccc(cn1)NC ct051vp1fp2de6 [0,2,0,0,0,0|2,0,0]=4 144 B9R1.1 Cc1ccc(cn1)OC rp054 [0,2,0,0,0,0|1,0,0]=3 145 B9R1.1 c1c(cnc(n1)C=O)O un185 [0,2,0,0,0,0|2,0,0]=4 146 B9R1.1 c1cc(ccc1C#N)S a230 [0,2,0,0,0,0|0,1,0]=3 147 B9R1.1 c1cc(ccc1[N+]#N)Br jmc051 [0,2,0,0,0,0|1,0,0]=3 148 B9R1.1 c1cc(ccc1[N+]#N)F jmc052 [0,2,0,0,0,0|1,0,0]=3 149 B9R1.1 c1cc(ncc1Br)CBr cdp145fp4 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.1 c1cc(ncc1C#N)F rp109 [0,2,0,0,0,0|2,0,0]=4 151 B9R1.1 c1cc(ncc1C=O)I rp017 [0,2,0,0,0,0|1,0,1]=4 152 B9R1.1 c1cc(ncc1CBr)Br fpzz0302fp2 [0,2,0,0,0,0|2,0,0]=4 153 B9R1.1 c1cc(ncc1CO)I rp017vp2 [0,2,0,0,0,0|1,0,0]=3 154 B9R1.1 c1cc(ncc1Cl)CBr cdp179fp1 [0,2,0,0,0,0|2,0,0]=4 155 B9R1.1 c1cc(ncc1F)CO cdp187fp3 [0,2,0,0,0,0|1,0,0]=3 156 B9R1.1 c1cc(ncc1N)C#N cdp165vp1fp2 [0,2,0,0,0,0|2,0,0]=4 157 B9R1.1 c1cc(ncc1O)C#N rp088 [0,2,0,0,0,0|1,0,0]=3 158 B9R1.1 c1cc(ncc1O)C=O un184 [0,2,0,0,0,0|1,0,0]=3 159 B9R1.2 CCc1cc(ccn1)Br a007lit2 [0,2,0,0,0,0|2,0,0]=4 160 B9R1.2 CCc1cc(ccn1)N a007lit1 [0,2,0,0,0,0|2,0,0]=4 161 B9R1.2 CCc1cccc(n1)O a006de4 [0,2,0,0,0,0|1,0,0]=3 162 B9R1.2 CCc1ccnc(c1)O a006de3 [0,2,0,0,0,0|1,0,0]=3 163 B9R1.2 CNc1cc(ccn1)N cdp092fp29 [0,2,0,0,0,0|2,0,0]=4 164 B9R1.2 CNc1ccc[n+](c1)[O-] cdp027vp2fp7de5 [0,2,0,0,0,0|1,0,1]=4 165 B9R1.2 CNc1cccc(n1)N cdp206fp14 [0,2,0,0,0,0|2,0,0]=4 166 B9R1.2 COc1cc(ccn1)Br a007lit7 [0,2,0,0,0,0|1,0,0]=3 167 B9R1.2 COc1cc(ccn1)Cl a007lit6 [0,2,0,0,0,0|1,0,0]=3 168 B9R1.2 COc1cc(ccn1)F rp327 [0,2,0,0,0,0|1,0,0]=3 169 B9R1.2 COc1cc(ccn1)I a007lit5 [0,2,0,0,0,0|1,0,0]=3 170 B9R1.2 COc1cc(ccn1)O a007lit4 [0,2,0,0,0,0|1,0,0]=3 171 B9R1.2 COc1cc(cnc1)Cl rp120 [0,2,0,0,0,0|1,0,0]=3 172 B9R1.2 COc1ccc[n+](c1)[O-] ll002 [0,2,0,0,0,0|1,0,0]=3 173 B9R1.2 COc1cccc(n1)O a006de5 [0,2,0,0,0,0|1,0,0]=3 174 B9R1.2 COc1ccnc(c1)N cdp104fp2 [0,2,0,0,0,0|1,0,0]=3 175 B9R1.2 COc1ccnc(c1)O rp240 [0,2,0,0,0,0|1,0,0]=3 176 B9R1.2 CSc1cc(ccn1)N cdp092fp28 [0,2,0,0,0,0|1,1,0]=4 177 B9R1.2 CSc1ccnc(c1)Cl cdp092fp3 [0,2,0,0,0,0|1,1,0]=4 178 B9R1.2 CSc1ccnc(c1)N cdp104fp42 [0,2,0,0,0,0|1,1,0]=4 179 B9R1.2 Cc1cc(ccn1)C#C cdp107fp18 [0,2,0,0,0,0|2,0,0]=4 180 B9R1.2 Cc1cc(ccn1)C#N cia032vp1 [0,2,0,0,0,0|2,0,0]=4 181 B9R1.2 Cc1cc(ccn1)C=O cia032 [0,2,0,0,0,0|1,0,1]=4 182 B9R1.2 Cc1cc(ccn1)OC cdp316vpfp1 [0,2,0,0,0,0|1,0,0]=3 183 B9R1.2 Cc1cc(cnc1)CCl cdp225fp2 [0,2,0,0,0,0|2,0,0]=4 184 B9R1.2 Cc1cc(cnc1)CO cdp225fp3 [0,2,0,0,0,0|1,0,0]=3 185 B9R1.2 Cc1cc(cnc1)NC ct051vp1fp2de12 [0,2,0,0,0,0|2,0,0]=4 186 B9R1.2 Cc1cc(cnc1)OC ct074fp3vp1de6 [0,2,0,0,0,0|1,0,0]=3 187 B9R1.2 Cc1ccnc(c1)CO cia036lit3 [0,2,0,0,0,0|1,0,0]=3 188 B9R1.2 c1c(cncc1Br)CO cdp240vp1fp1 [0,2,0,0,0,0|1,0,0]=3 189 B9R1.2 c1c(cncc1Cl)C#N cdp027vp1de2 [0,2,0,0,0,0|2,0,0]=4 190 B9R1.2 c1c(cncc1N)CO cdp240fp3fp1 [0,2,0,0,0,0|1,0,0]=3 191 B9R1.2 c1c(cncc1O)C=O cia038de1 [0,2,0,0,0,0|1,0,0]=3 192 B9R1.2 c1c(cncc1O)CO cdp240fp3fp2 [0,2,0,0,0,0|1,0,0]=3 193 B9R1.2 c1cc(c[n+](c1)[O-])NN cdp027vp2fp7de1 [0,2,0,0,0,0|1,0,1]=4 194 B9R1.2 c1cc(cc(c1)S)C#N a230de1 [0,2,0,0,0,0|0,1,0]=3 195 B9R1.2 c1cc(nc(c1)N)C#N rp049 [0,2,0,0,0,0|2,0,0]=4 196 B9R1.2 c1cc(nc(c1)O)C#N rp136 [0,2,0,0,0,0|1,0,0]=3 197 B9R1.2 c1cc(nc(c1)O)C=O un195 [0,2,0,0,0,0|1,0,0]=3 198 B9R1.2 c1cnc(cc1Br)C=O cdp113fp1 [0,2,0,0,0,0|1,0,1]=4 199 B9R1.2 c1cnc(cc1Br)CBr cdp107fp13 [0,2,0,0,0,0|2,0,0]=4 200 B9R1.2 c1cnc(cc1Br)CO cdp107fp4 [0,2,0,0,0,0|1,0,0]=3 201 B9R1.2 c1cnc(cc1C=O)Br cia021 [0,2,0,0,0,0|1,0,1]=4 202 B9R1.2 c1cnc(cc1C=O)Cl cia025 [0,2,0,0,0,0|1,0,1]=4 203 B9R1.2 c1cnc(cc1C=O)F cia020 [0,2,0,0,0,0|1,0,1]=4 204 B9R1.2 c1cnc(cc1C=O)O cia015 [0,2,0,0,0,0|1,0,0]=3 205 B9R1.2 c1cnc(cc1Cl)C=O un125 [0,2,0,0,0,0|1,0,1]=4 206 B9R1.2 c1cnc(cc1Cl)CN cdp104vp1a [0,2,0,0,0,0|2,0,0]=4 207 B9R1.2 c1cnc(cc1F)C#N cdp090vp1fp1 [0,2,0,0,0,0|2,0,0]=4 208 B9R1.6 B(c1ccccn1)(O)O un097 [0,2,0,0,0,0|1,0,0]=3 209 B9R1.6 CS(=O)c1ccccn1 ct006vp1fp4 [0,2,0,0,0,0|1,0,1]=4 210 B9R1.6 CS(=O)c1ccncc1 bio026 [0,2,0,0,0,0|1,0,1]=4 211 B9R1.6 c1cc(nnc1)C(=O)O a065 [0,2,0,0,0,0|2,0,0]=4 212 B9R1.8 c1ccc(cc1)C#N=O jmc047 [0,2,0,0,0,0|0,0,1]=3 213 B9R1.8 c1ccc(cc1)\C=N\N un308 [0,2,0,0,0,0|1,0,0]=3 214 B9R1.15 CCc1cccnc1O a006de13 [0,2,0,0,0,0|1,0,0]=3 215 B9R1.15 COc1ccncc1F ct091de2de9 [0,2,0,0,0,0|1,0,0]=3 216 B9R1.15 COc1ccncc1O rp265 [0,2,0,0,0,0|1,0,0]=3 217 B9R1.15 COc1cnccc1Cl ct074fp3vp1de9 [0,2,0,0,0,0|1,0,0]=3 218 B9R1.15 CSc1c(cccn1)Cl cin105vpfp5 [0,2,0,0,0,0|1,1,0]=4 219 B9R1.15 Cc1c(cccn1)OC ct074fp3vp1de1 [0,2,0,0,0,0|1,0,0]=3 220 B9R1.15 Cc1ccncc1C=O ct051vp1fp3 [0,2,0,0,0,0|1,0,1]=4 221 B9R1.15 Cc1ccncc1NC ct051vp1fp2 [0,2,0,0,0,0|2,0,0]=4 222 B9R1.15 Cc1ccncc1OC ct051vp1fp10 [0,2,0,0,0,0|1,0,0]=3 223 B9R1.15 Cc1cnccc1C=O cia026 [0,2,0,0,0,0|1,0,1]=4 224 B9R1.15 Cc1cnccc1OC rp234 [0,2,0,0,0,0|1,0,0]=3 225 B9R1.15 c1cc(c(nc1)C#N)Cl cdp027vp1 [0,2,0,0,0,0|2,0,0]=4 226 B9R1.15 c1cc(c(nc1)C#N)S cdp027vp1fp3 [0,2,0,0,0,0|1,1,0]=4 227 B9R1.15 c1cc(c(nc1)C=O)Cl un125de1 [0,2,0,0,0,0|1,0,1]=4 228 B9R1.15 c1cc(c(nc1)C=O)N ct255fp3fp9 [0,2,0,0,0,0|1,0,1]=4 229 B9R1.15 c1cc(c(nc1)CBr)Cl cdp023fp1 [0,2,0,0,0,0|2,0,0]=4 230 B9R1.15 c1cc(c(nc1)CN)Cl cdp027vp1fp2 [0,2,0,0,0,0|2,0,0]=4 231 B9R1.15 c1cc(c(nc1)CO)N ct255fp3fp8 [0,2,0,0,0,0|1,0,0]=3 232 B9R1.15 c1cncc(c1Br)C=O cia024de4 [0,2,0,0,0,0|1,0,1]=4 233 B9R1.15 c1cncc(c1C#N)Br ct051vp1fp1 [0,2,0,0,0,0|2,0,0]=4 234 B9R1.15 c1cncc(c1C=O)Cl cia027 [0,2,0,0,0,0|1,0,1]=4 235 B9R1.15 c1cncc(c1C=O)F cia035 [0,2,0,0,0,0|1,0,1]=4 236 B9R1.15 c1cncc(c1C=O)N cia033 [0,2,0,0,0,0|1,0,1]=4 237 B9R1.15 c1cncc(c1C=O)O cia038 [0,2,0,0,0,0|1,0,0]=3 238 B9R1.15 c1cncc(c1CO)Br ct051fp5 [0,2,0,0,0,0|1,0,0]=3 239 B9R1.15 c1cncc(c1CO)F fpzz0408fp1 [0,2,0,0,0,0|1,0,0]=3 240 B9R1.15 c1cncc(c1CO)N f002afp4 [0,2,0,0,0,0|1,0,0]=3 241 B9R1.15 c1cncc(c1CO)O f002fp1fp3 [0,2,0,0,0,0|1,0,0]=3 242 B9R1.15 c1cncc(c1O)C=O rp183 [0,2,0,0,0,0|1,0,0]=3 243 B9R1.15 c1cncc(c1O)CO f002fp1fp3de1 [0,2,0,0,0,0|1,0,0]=3 244 B9R1.69 Cc1c(cc(cn1)N)Cl cdp238vp2fp2 [0,2,0,0,0,0|2,0,0]=4 245 B9R1.69 Cc1c(ccc(=O)[nH]1)O f011de1 [0,2,0,0,0,0|1,0,0]=3 246 B9R1.69 Cc1c(ccc(n1)Br)O rp300 [0,2,0,0,0,0|1,0,0]=3 247 B9R1.69 Cc1c(ccc(n1)I)O rp063 [0,2,0,0,0,0|1,0,0]=3 248 B9R1.69 Cc1c(ccc(n1)N)I rp050 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.69 Cc1cc(=O)[nH]cc1O f011de3 [0,2,0,0,0,0|1,0,0]=3 250 B9R1.69 Cc1cc(c(cn1)Cl)N cdp316fp12 [0,2,0,0,0,0|2,0,0]=4 251 B9R1.69 Cc1cc(c(cn1)F)N cdp167fp3 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.69 Cc1cc(c(cn1)I)N cdp316fp3 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.69 Cc1cc(c(cn1)N)N dap28 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.69 Cc1cc(c(nc1)C)Br pb010vp1 [0,2,0,0,0,0|2,0,0]=4 255 B9R1.69 Cc1cc(c(nc1)C)O cdp254de3 [0,2,0,0,0,0|1,0,0]=3 256 B9R1.69 Cc1cc(c(nc1)F)Br un143 [0,2,0,0,0,0|2,0,0]=4 257 B9R1.69 Cc1cc(c(nc1)F)C rp303 [0,2,0,0,0,0|2,0,0]=4 258 B9R1.69 Cc1cc(c(nc1)I)C rp044 [0,2,0,0,0,0|2,0,0]=4 259 B9R1.69 Cc1cc(c(nc1)N)N rp253 [0,2,0,0,0,0|2,0,0]=4 260 B9R1.69 Cc1cc(c(nc1)N)O cdp244fp3 [0,2,0,0,0,0|1,0,0]=3 261 B9R1.69 Cc1cc(c(nc1)O)C a006de17 [0,2,0,0,0,0|1,0,0]=3 262 B9R1.69 Cc1cc(c[nH]c1=O)O f011de2 [0,2,0,0,0,0|1,0,0]=3 263 B9R1.69 Cc1cc(cc[n+]1[O-])Br cdp107fp16 [0,2,0,0,0,0|1,0,1]=4 264 B9R1.69 Cc1cc(cc[n+]1[O-])Cl cdp080fp1 [0,2,0,0,0,0|1,0,1]=4 265 B9R1.69 Cc1cc(cnc1Br)O pb036fp1 [0,2,0,0,0,0|1,0,0]=3 266 B9R1.69 Cc1cc(cnc1C)Br pb051vp1 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.69 Cc1cc(cnc1C)O cdp254de1 [0,2,0,0,0,0|1,0,0]=3 268 B9R1.69 Cc1cc(cnc1Cl)O pb037fp1 [0,2,0,0,0,0|1,0,0]=3 269 B9R1.69 Cc1cc(cnc1I)Br rp048 [0,2,0,0,0,0|2,0,0]=4 270 B9R1.69 Cc1cc(cnc1O)Cl a006de14 [0,2,0,0,0,0|1,0,0]=3 271 B9R1.69 Cc1cc(cnc1O)I rp219 [0,2,0,0,0,0|1,0,0]=3 272 B9R1.69 Cc1cc(ncc1Br)Br ct022 [0,2,0,0,0,0|2,0,0]=4 273 B9R1.69 Cc1cc(ncc1Br)C pb043vp1 [0,2,0,0,0,0|2,0,0]=4 274 B9R1.69 Cc1cc(ncc1C)O a006de10 [0,2,0,0,0,0|1,0,0]=3 275 B9R1.69 Cc1cc(ncc1I)N rp051 [0,2,0,0,0,0|2,0,0]=4 276 B9R1.69 Cc1cc(ncc1O)C cdp254de2 [0,2,0,0,0,0|1,0,0]=3 277 B9R1.69 Cc1ccc(c(c1)S)O jmc070 [0,2,0,0,0,0|0,0,0]=2 278 B9R1.69 Cc1ccc(c(n1)Br)Br rp053 [0,2,0,0,0,0|2,0,0]=4 279 B9R1.69 Cc1ccc(c(n1)Br)N cdp146fp2 [0,2,0,0,0,0|2,0,0]=4 280 B9R1.69 Cc1ccc(c(n1)C)I cdp146fp3de4 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.69 Cc1ccc(c(n1)N)Cl acp002 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.69 Cc1ccc(c(n1)N)N dap3 [0,2,0,0,0,0|2,0,0]=4 283 B9R1.69 Cc1ccc(c[n+]1[O-])Cl cdp179fp3 [0,2,0,0,0,0|1,0,1]=4 284 B9R1.69 Cc1ccc(c[n+]1[O-])F cdp167fp1 [0,2,0,0,0,0|1,0,1]=4 285 B9R1.69 Cc1ccc(nc1Br)Br rp146de2 [0,2,0,0,0,0|2,0,0]=4 286 B9R1.69 Cc1ccc(nc1Br)Cl rp146 [0,2,0,0,0,0|2,0,0]=4 287 B9R1.69 Cc1ccc(nc1Br)F rp146de8 [0,2,0,0,0,0|2,0,0]=4 288 B9R1.69 Cc1ccc(nc1C)N rp261 [0,2,0,0,0,0|2,0,0]=4 289 B9R1.69 Cc1ccc(nc1Cl)Br rp146de1 [0,2,0,0,0,0|2,0,0]=4 290 B9R1.69 Cc1ccc(nc1Cl)F rp146de7 [0,2,0,0,0,0|2,0,0]=4 291 B9R1.69 Cc1ccc(nc1F)Br rp146de4 [0,2,0,0,0,0|2,0,0]=4 292 B9R1.69 Cc1ccc(nc1F)Cl rp146de3 [0,2,0,0,0,0|2,0,0]=4 293 B9R1.69 Cc1ccc(nc1N)C fpzz0294fp2 [0,2,0,0,0,0|2,0,0]=4 294 B9R1.69 Cc1ccc(nc1N)Cl cdp192fp6de3 [0,2,0,0,0,0|2,0,0]=4 295 B9R1.69 Cc1ccc(nc1O)C a006de15 [0,2,0,0,0,0|1,0,0]=3 296 B9R1.69 Cc1cnc(cc1N)N cdp074de3 [0,2,0,0,0,0|2,0,0]=4 297 B9R1.69 Cc1cnc(cc1N)O rp058lit2 [0,2,0,0,0,0|1,0,0]=3 298 B9R1.69 Cc1cnc(cc1O)O ct010vp1fp5 [0,2,0,0,0,0|1,0,0]=3 299 B9R1.69 c1c(c(cnc1Br)Br)N ct088fp9 [0,2,0,0,0,0|2,0,0]=4 300 B9R1.69 c1c(c(cnc1Br)Br)O cdp119fp5 [0,2,0,0,0,0|1,0,0]=3 301 B9R1.69 c1c(c(cnc1Br)Cl)N ct088fp7 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.69 c1c(c(cnc1Br)Cl)O cdp119fp2 [0,2,0,0,0,0|1,0,0]=3 303 B9R1.69 c1c(c(cnc1Br)N)N dap31 [0,2,0,0,0,0|2,0,0]=4 304 B9R1.69 c1c(c(cnc1Br)O)Br cdp175fp2 [0,2,0,0,0,0|1,0,0]=3 305 B9R1.69 c1c(c(cnc1Cl)Br)N cdp092fp7 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.69 c1c(c(cnc1Cl)Cl)Cl ct010fp8 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.69 c1c(c(cnc1Cl)Cl)N rp046 [0,2,0,0,0,0|2,0,0]=4 308 B9R1.69 c1c(c(cnc1Cl)Cl)O rp014 [0,2,0,0,0,0|1,0,0]=3 309 B9R1.69 c1c(c(cnc1Cl)I)N cdp092fp10 [0,2,0,0,0,0|2,0,0]=4 310 B9R1.69 c1c(c(cnc1F)Br)N cdp099fp5 [0,2,0,0,0,0|2,0,0]=4 311 B9R1.69 c1c(c(cnc1F)Cl)N cdp099fp4 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.69 c1c(c(cnc1F)F)Cl rp150 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.69 c1c(c(cnc1F)F)F cdp182de3 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.69 c1c(c(cnc1F)F)I cdp182fp2a [0,2,0,0,0,0|2,0,0]=4 315 B9R1.69 c1c(c(cnc1F)N)N dap24 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.69 c1c(c(cnc1N)Br)Br cdp131fp8 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.69 c1c(c(cnc1N)Br)N cdp104fp6de5 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.69 c1c(c(cnc1N)Br)O cdp104fp6de32 [0,2,0,0,0,0|1,0,0]=3 319 B9R1.69 c1c(c(cnc1N)Cl)Br cdp131fp3 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.69 c1c(c(cnc1N)Cl)Cl cdp104fp4 [0,2,0,0,0,0|2,0,0]=4 321 B9R1.69 c1c(c(cnc1N)Cl)N cdp074fp4 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.69 c1c(c(cnc1N)I)Br cdp131fp16 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.69 c1c(c(cnc1N)N)N cdp074fp8 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.69 c1c(c(cnc1O)Cl)Cl a007de1fp3 [0,2,0,0,0,0|1,0,0]=3 325 B9R1.69 c1c(cnc(c1Br)Br)N s007fp2 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.69 c1c(cnc(c1Br)Cl)O cdp236vp3fp3 [0,2,0,0,0,0|1,0,0]=3 327 B9R1.69 c1c(cnc(c1Br)F)I rp174 [0,2,0,0,0,0|2,0,0]=4 328 B9R1.69 c1c(cnc(c1Br)I)Br un121fp6 [0,2,0,0,0,0|2,0,0]=4 329 B9R1.69 c1c(cnc(c1Br)N)I rp027 [0,2,0,0,0,0|2,0,0]=4 330 B9R1.69 c1c(cnc(c1Br)N)N abp003 [0,2,0,0,0,0|2,0,0]=4 331 B9R1.69 c1c(cnc(c1Br)O)Cl rp091 [0,2,0,0,0,0|1,0,0]=3 332 B9R1.69 c1c(cnc(c1Br)O)F a006de11 [0,2,0,0,0,0|1,0,0]=3 333 B9R1.69 c1c(cnc(c1Br)O)I rp034 [0,2,0,0,0,0|1,0,0]=3 334 B9R1.69 c1c(cnc(c1Br)S)Br cdp108de2lit12 [0,2,0,0,0,0|1,1,0]=4 335 B9R1.69 c1c(cnc(c1Cl)Br)N cdp238vp1fp4 [0,2,0,0,0,0|2,0,0]=4 336 B9R1.69 c1c(cnc(c1Cl)Br)O cdp238vp1fp3 [0,2,0,0,0,0|1,0,0]=3 337 B9R1.69 c1c(cnc(c1Cl)Cl)N cdp238vp2fp1 [0,2,0,0,0,0|2,0,0]=4 338 B9R1.69 c1c(cnc(c1Cl)Cl)O cdp238vp1fp2 [0,2,0,0,0,0|1,0,0]=3 339 B9R1.69 c1c(cnc(c1Cl)F)F cdp182de1 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.69 c1c(cnc(c1Cl)N)Br cdp036fp9 [0,2,0,0,0,0|2,0,0]=4 341 B9R1.69 c1c(cnc(c1Cl)N)F cdp104fp6de6 [0,2,0,0,0,0|2,0,0]=4 342 B9R1.69 c1c(cnc(c1Cl)N)I acp006 [0,2,0,0,0,0|2,0,0]=4 343 B9R1.69 c1c(cnc(c1Cl)N)N cdp036fp7 [0,2,0,0,0,0|2,0,0]=4 344 B9R1.69 c1c(cnc(c1F)N)Br cdp047fp1 [0,2,0,0,0,0|2,0,0]=4 345 B9R1.69 c1c(cnc(c1F)N)I cdp047fp4 [0,2,0,0,0,0|2,0,0]=4 346 B9R1.69 c1c(cnc(c1F)N)N cdp047fp3 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.69 c1c(cnc(c1F)O)Br cdp236vp3de9 [0,2,0,0,0,0|1,0,0]=3 348 B9R1.69 c1c(cnc(c1F)O)F a006de9 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.69 c1c(cnc(c1I)Br)N rp029 [0,2,0,0,0,0|2,0,0]=4 350 B9R1.69 c1c(cnc(c1I)Br)O rp028 [0,2,0,0,0,0|1,0,0]=3 351 B9R1.69 c1c(cnc(c1I)N)F rp016 [0,2,0,0,0,0|2,0,0]=4 352 B9R1.69 c1c(cnc(c1I)N)I rp331 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.69 c1c(cnc(c1I)O)Br rp047 [0,2,0,0,0,0|1,0,0]=3 354 B9R1.69 c1c(cnc(c1N)Cl)Br un163 [0,2,0,0,0,0|2,0,0]=4 355 B9R1.69 c1c(cnc(c1N)Cl)N cdp230fp3 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.69 c1c(cnc(c1N)I)Cl cdp239fp1 [0,2,0,0,0,0|2,0,0]=4 357 B9R1.69 c1c(cnc(c1N)N)F dap13 [0,2,0,0,0,0|2,0,0]=4 358 B9R1.69 c1c(cnc(c1N)O)N cdp230fp2 [0,2,0,0,0,0|1,0,0]=3 359 B9R1.69 c1c[n+](cc(c1N)Cl)[O-] cdp285fp4 [0,2,0,0,0,0|1,0,1]=4 360 B9R1.69 c1cc(c(cc1O)O)S bio027 [0,2,0,0,0,0|0,0,0]=2 361 B9R1.69 c1cc(nc(c1Br)Br)N rp129 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.69 c1cc(nc(c1Br)Cl)N cdp206fp5 [0,2,0,0,0,0|2,0,0]=4 363 B9R1.69 c1cc(nc(c1Br)F)F rp161 [0,2,0,0,0,0|2,0,0]=4 364 B9R1.69 c1cc(nc(c1Br)F)N cdp104fp6de8 [0,2,0,0,0,0|2,0,0]=4 365 B9R1.69 c1cc(nc(c1Br)I)Cl cdp131de1a [0,2,0,0,0,0|2,0,0]=4 366 B9R1.69 c1cc(nc(c1Br)N)Br rp049vp1fp3 [0,2,0,0,0,0|2,0,0]=4 367 B9R1.69 c1cc(nc(c1Br)N)Cl cdp206fp4 [0,2,0,0,0,0|2,0,0]=4 368 B9R1.69 c1cc(nc(c1Br)N)F cdp192fp6 [0,2,0,0,0,0|2,0,0]=4 369 B9R1.69 c1cc(nc(c1Br)N)N abp001 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.69 c1cc(nc(c1Br)N)O cdp194fp3 [0,2,0,0,0,0|1,0,0]=3 371 B9R1.69 c1cc(nc(c1Br)O)Cl cdp236vp3de1 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.69 c1cc(nc(c1Cl)Br)N rp049vp1fp2 [0,2,0,0,0,0|2,0,0]=4 373 B9R1.69 c1cc(nc(c1Cl)Cl)N cdp206fp2 [0,2,0,0,0,0|2,0,0]=4 374 B9R1.69 c1cc(nc(c1Cl)F)F rp160 [0,2,0,0,0,0|2,0,0]=4 375 B9R1.69 c1cc(nc(c1Cl)N)Br rp049vp1fp1 [0,2,0,0,0,0|2,0,0]=4 376 B9R1.69 c1cc(nc(c1Cl)N)Cl cdp206fp3 [0,2,0,0,0,0|2,0,0]=4 377 B9R1.69 c1cc(nc(c1Cl)N)F cdp192fp5a [0,2,0,0,0,0|2,0,0]=4 378 B9R1.69 c1cc(nc(c1Cl)N)N cdp104fp6de1 [0,2,0,0,0,0|2,0,0]=4 379 B9R1.69 c1cc(nc(c1F)F)F cdp182de2 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.69 c1cc(nc(c1F)N)N rp052 [0,2,0,0,0,0|2,0,0]=4 381 B9R1.69 c1cc(nc(c1I)Cl)N cdp206fp9 [0,2,0,0,0,0|2,0,0]=4 382 B9R1.69 c1cc(nc(c1I)F)F rp031 [0,2,0,0,0,0|2,0,0]=4 383 B9R1.69 c1cc(nc(c1I)N)N rp008 [0,2,0,0,0,0|2,0,0]=4 384 B9R1.69 c1cc(nc(c1N)Cl)I rp083 [0,2,0,0,0,0|2,0,0]=4 385 B9R1.69 c1cc(nc(c1N)I)Cl rp225 [0,2,0,0,0,0|2,0,0]=4 386 B9R1.69 c1cc(nc(c1N)N)F dap5 [0,2,0,0,0,0|2,0,0]=4 387 B9R1.69 c1cc(nc(c1N)N)I dap15 [0,2,0,0,0,0|2,0,0]=4 388 B9R1.69 c1cc(nc(c1N)N)N cdp156fp1lit18 [0,2,0,0,0,0|2,0,0]=4 389 B9R1.69 c1cc(nc(c1O)Br)Cl cdp172fp3 [0,2,0,0,0,0|1,0,0]=3 390 B9R1.69 c1cc(nc(c1O)Br)I rp276 [0,2,0,0,0,0|1,0,0]=3 391 B9R1.69 c1cc(nc(c1O)Cl)Br cdp175fp3 [0,2,0,0,0,0|1,0,0]=3 392 B9R1.69 c1cc(nc(c1O)Cl)Cl rp154 [0,2,0,0,0,0|1,0,0]=3 393 B9R1.69 c1cc(nc(c1O)Cl)I rp056 [0,2,0,0,0,0|1,0,0]=3 394 B9R1.69 c1cc(nc(c1O)F)Br rp013 [0,2,0,0,0,0|1,0,0]=3 395 B9R1.69 c1cc(nc(c1O)F)F rp159 [0,2,0,0,0,0|1,0,0]=3 396 B9R1.69 c1cc(nc(c1O)I)Br cdp175fp4 [0,2,0,0,0,0|1,0,0]=3 397 B9R1.69 c1cc(nc(c1O)I)Cl cdp172fp1 [0,2,0,0,0,0|1,0,0]=3 398 B9R1.69 c1cc(nc(c1O)I)I rp277 [0,2,0,0,0,0|1,0,0]=3 399 B9R1.3 Cc1c(c(ccn1)Br)Cl cdp316fp9de1 [0,2,0,0,0,0|2,0,0]=4 400 B9R1.3 Cc1c(c(ccn1)Cl)Cl rp298 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.3 Cc1c(c(ccn1)Cl)F cdp106de3fp1 [0,2,0,0,0,0|2,0,0]=4 402 B9R1.3 Cc1c(c(ccn1)N)Br cdp316fp6 [0,2,0,0,0,0|2,0,0]=4 403 B9R1.3 Cc1c(c(ccn1)N)Cl cdp316fp2 [0,2,0,0,0,0|2,0,0]=4 404 B9R1.3 Cc1c(c(ccn1)N)I cdp316fp4 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.3 Cc1c(c(ccn1)N)N dap33 [0,2,0,0,0,0|2,0,0]=4 406 B9R1.3 Cc1c(c(ccn1)O)I cdp100fp1 [0,2,0,0,0,0|1,0,0]=3 407 B9R1.3 Cc1c(ccnc1Br)Br rp282 [0,2,0,0,0,0|2,0,0]=4 408 B9R1.3 Cc1c(ccnc1Cl)Br rp283 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.3 Cc1c(ccnc1F)Br rp285 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.3 Cc1c(ccnc1F)I rp204 [0,2,0,0,0,0|2,0,0]=4 411 B9R1.3 Cc1c(ccnc1N)Br cdp192fp6de2 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.3 Cc1c(ccnc1N)Cl cdp192fp6de1 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.3 Cc1c(ccnc1N)N cdp074de4 [0,2,0,0,0,0|2,0,0]=4 414 B9R1.3 Cc1c(cncc1Br)F a114fp2 [0,2,0,0,0,0|2,0,0]=4 415 B9R1.3 Cc1c(cncc1Cl)Cl rp258 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.3 Cc1c(cncc1N)N cdp230de1 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.3 Cc1c(nccc1Cl)C ll017 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.3 Cc1cccc(n1=O)Br jmc061 [0,2,0,0,0,0|1,0,1]=4 419 B9R1.3 Cc1ccnc(c1Br)C pb044vp1 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.3 Cc1ccnc(c1Br)N rp090 [0,2,0,0,0,0|2,0,0]=4 421 B9R1.3 Cc1ccnc(c1Br)O cdp236vp3de3 [0,2,0,0,0,0|1,0,0]=3 422 B9R1.3 Cc1ccnc(c1C)O a006de12 [0,2,0,0,0,0|1,0,0]=3 423 B9R1.3 Cc1ccnc(c1Cl)N acp001 [0,2,0,0,0,0|2,0,0]=4 424 B9R1.3 Cc1ccnc(c1N)F a174 [0,2,0,0,0,0|2,0,0]=4 425 B9R1.3 Cc1cncc(c1Br)O a005de2 [0,2,0,0,0,0|1,0,0]=3 426 B9R1.3 Cc1cncc(c1C)Br pb052vp1 [0,2,0,0,0,0|2,0,0]=4 427 B9R1.3 Cc1cncc(c1C)C rp191 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.3 Cc1cncc(c1C)O cdp254de4 [0,2,0,0,0,0|1,0,0]=3 429 B9R1.3 Cc1cncc(c1Cl)O a004de2 [0,2,0,0,0,0|1,0,0]=3 430 B9R1.3 Cc1cncc(c1N)Br cdp226fp1 [0,2,0,0,0,0|2,0,0]=4 431 B9R1.3 Cc1cncc(c1N)Cl cdp257fp7 [0,2,0,0,0,0|2,0,0]=4 432 B9R1.3 Cc1cncc(c1N)N cdp257fp2 [0,2,0,0,0,0|2,0,0]=4 433 B9R1.3 c1c(c(c(=O)[nH]n1)Cl)O fpzz0082fp8 [0,2,0,0,0,0|2,0,0]=4 434 B9R1.3 c1c(c(c(cn1)Br)Cl)Br cdp108de2lit7 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.3 c1c(c(c(cn1)Br)I)Br un381 [0,2,0,0,0,0|2,0,0]=4 436 B9R1.3 c1c(c(c(cn1)Br)N)Cl cdp285fp3 [0,2,0,0,0,0|2,0,0]=4 437 B9R1.3 c1c(c(c(cn1)Br)N)F cdp259fp4 [0,2,0,0,0,0|2,0,0]=4 438 B9R1.3 c1c(c(c(cn1)Br)S)Br cdp108de2lit8 [0,2,0,0,0,0|1,1,0]=4 439 B9R1.3 c1c(c(c(cn1)Cl)Cl)F cdp182de7 [0,2,0,0,0,0|2,0,0]=4 440 B9R1.3 c1c(c(c(cn1)Cl)Cl)O a004de5 [0,2,0,0,0,0|1,0,0]=3 441 B9R1.3 c1c(c(c(cn1)Cl)F)F cdp182de12 [0,2,0,0,0,0|2,0,0]=4 442 B9R1.3 c1c(c(c(cn1)Cl)N)F cdp259fp3 [0,2,0,0,0,0|2,0,0]=4 443 B9R1.3 c1c(c(c(cn1)F)Cl)F cdp182de5 [0,2,0,0,0,0|2,0,0]=4 444 B9R1.3 c1c(c(c(cn1)F)F)F cdp182de10 [0,2,0,0,0,0|2,0,0]=4 445 B9R1.3 c1c(c(c(cn1)F)N)N cdp259fp2 [0,2,0,0,0,0|2,0,0]=4 446 B9R1.3 c1c(c(c(cn1)I)Cl)I rp222 [0,2,0,0,0,0|2,0,0]=4 447 B9R1.3 c1c(c(c(cn1)I)N)Cl cdp285fp5 [0,2,0,0,0,0|2,0,0]=4 448 B9R1.3 c1c(c(c(cn1)I)O)I rp221 [0,2,0,0,0,0|1,0,0]=3 449 B9R1.3 c1c(c(c(cn1)I)S)I cdp108de2lit10 [0,2,0,0,0,0|1,1,0]=4 450 B9R1.3 c1cc(c([n+](c1)[O-])Br)F cdp034fp1 [0,2,0,0,0,0|1,0,1]=4 451 B9R1.3 c1cc(c([n+](c1)[O-])Cl)Cl cin105vpfp10 [0,2,0,0,0,0|1,0,1]=4 452 B9R1.3 c1cnc(c(c1Br)Br)Cl cdp129fp2 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.3 c1cnc(c(c1Br)Br)N cdp131fp7 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.3 c1cnc(c(c1Br)Cl)Cl cdp129fp1 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.3 c1cnc(c(c1Br)Cl)N cdp131fp4 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.3 c1cnc(c(c1Br)N)N cdp131fp6 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.3 c1cnc(c(c1Br)O)Br rp278 [0,2,0,0,0,0|1,0,0]=3 458 B9R1.3 c1cnc(c(c1Cl)Br)N cdp104fp15 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.3 c1cnc(c(c1Cl)Cl)F cdp182de8 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.3 c1cnc(c(c1Cl)Cl)N cdp104fp9 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.3 c1cnc(c(c1Cl)F)F cdp182de6 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.3 c1cnc(c(c1Cl)N)N dap1 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.3 c1cnc(c(c1F)Cl)F cdp182de13 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.3 c1cnc(c(c1F)F)F cdp182de11 [0,2,0,0,0,0|2,0,0]=4 465 B9R1.3 c1cnc(c(c1I)Cl)Cl cin105vpfp11 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.3 c1cnc(c(c1I)Cl)N cdp036fp10 [0,2,0,0,0,0|2,0,0]=4 467 B9R1.3 c1cnc(c(c1I)F)N cdp047fp5 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.3 c1cnc(c(c1I)O)I rp074 [0,2,0,0,0,0|1,0,0]=3 469 B9R1.3 c1cnc(c(c1N)Br)Br ct088fp4 [0,2,0,0,0,0|2,0,0]=4 470 B9R1.3 c1cnc(c(c1N)Br)Cl cdp092fp8 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.3 c1cnc(c(c1N)Br)F cdp099fp5hp [0,2,0,0,0,0|2,0,0]=4 472 B9R1.3 c1cnc(c(c1N)Br)N cdp074de1 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.3 c1cnc(c(c1N)Br)O un001fp1 [0,2,0,0,0,0|1,0,0]=3 474 B9R1.3 c1cnc(c(c1N)Cl)Br ct088fp6 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.3 c1cnc(c(c1N)Cl)Cl cdp092fp11 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.3 c1cnc(c(c1N)Cl)F cdp099fp3 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.3 c1cnc(c(c1N)Cl)N cdp074fp3 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.3 c1cnc(c(c1N)Cl)O un001fp2 [0,2,0,0,0,0|1,0,0]=3 479 B9R1.3 c1cnc(c(c1N)F)N cdp074fp2 [0,2,0,0,0,0|2,0,0]=4 480 B9R1.3 c1cnc(c(c1N)I)N cdp074fp10 [0,2,0,0,0,0|2,0,0]=4 481 B9R1.3 c1cnc(c(c1N)N)Br dap32 [0,2,0,0,0,0|2,0,0]=4 482 B9R1.3 c1cnc(c(c1N)N)F dap35 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.3 c1cnc(c(c1N)N)N cdp074fp9 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.3 c1cnc(c(c1O)Br)Br cdp119fp4 [0,2,0,0,0,0|1,0,0]=3 485 B9R1.3 c1cnc(c(c1O)Br)N cdp104fp6de31 [0,2,0,0,0,0|1,0,0]=3 486 B9R1.3 c1cnc(c(c1O)Br)O cdp131de1 [0,2,0,0,0,0|1,0,0]=3 487 B9R1.3 c1cnc(c(c1O)Cl)Br cdp119fp1 [0,2,0,0,0,0|1,0,0]=3 488 B9R1.3 c1cnc(c(c1O)Cl)N cdp104fp6de29 [0,2,0,0,0,0|1,0,0]=3 489 B9R1.3 c1cnc(c(c1O)Cl)O rp279 [0,2,0,0,0,0|1,0,0]=3 490 B9R1.34 C1C(=CC(=O)OC1=O)O fpzz0376fp3 [0,2,0,0,0,0|1,0,1]=4 491 B9R1.34 Cc1cc([nH]c(=O)c1)C a006de1 [0,2,0,0,0,0|1,0,1]=4 492 B9R1.34 Cc1cc(cc(n1)Br)Br cdp131de4 [0,2,0,0,0,0|2,0,0]=4 493 B9R1.34 Cc1cc(cc(n1)C)Cl cdp136de3 [0,2,0,0,0,0|2,0,0]=4 494 B9R1.34 Cc1cc(cc(n1)C)F cia036de4 [0,2,0,0,0,0|2,0,0]=4 495 B9R1.34 Cc1cc(cc(n1)C)I cia036de5 [0,2,0,0,0,0|2,0,0]=4 496 B9R1.34 Cc1cc(cc(n1)N)N cdp074de2 [0,2,0,0,0,0|2,0,0]=4 497 B9R1.34 Cc1cc(cc(n1)N)O cdp100fp4 [0,2,0,0,0,0|1,0,0]=3 498 B9R1.34 Cc1cc(cc(n1)O)N rp058lit1 [0,2,0,0,0,0|1,0,0]=3 499 B9R1.34 Cc1cc(cc(n1)O)O ct364b [0,2,0,0,0,0|1,0,0]=3 500 B9R1.34 Cc1cc(nc(c1)Br)F rp146de6 [0,2,0,0,0,0|2,0,0]=4 501 B9R1.34 Cc1cc(nc(c1)Cl)F rp146de5 [0,2,0,0,0,0|2,0,0]=4 502 B9R1.34 c1c(c[n+](cc1N)[O-])N cdp230fp1 [0,2,0,0,0,0|1,0,1]=4 503 B9R1.34 c1c(cc(cc1N)Br)N ll007 [0,2,0,0,0,0|1,0,0]=3 504 B9R1.34 c1c(cc(nc1Br)Br)Br rp304 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.34 c1c(cc(nc1F)F)N rp147 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.34 c1c(cc(nc1F)I)I rp123 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.34 c1c(cc(nc1O)Cl)Cl a006de16 [0,2,0,0,0,0|1,0,0]=3 508 B9R1.34 c1c(cc(nc1O)Cl)O rp058lit4 [0,2,0,0,0,0|1,0,0]=3 509 B9R1.34 c1c(cc(nc1O)O)O a261 [0,2,0,0,0,0|1,0,0]=3