0 B8R1.3 Cc1ccc(cn1)Br cdp145 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.3 Cc1ccc(cn1)I cdp146fp3 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.3 Cc1ccc(nc1)I fpzz0302fp5 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.3 Cc1ccc(nc1)O cdp139 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.3 Cc1cnc(nc1)O ct360de2 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.3 Cc1ncc(cn1)Cl ct356de4 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.3 Cc1ncc(cn1)O ct360de4 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.3 c1cc(ncc1Br)F a115 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.3 c1cc(ncc1Br)S cdp157de10 [0,0,0,0,0,0|2,1,0]=3 9 B8R1.3 c1cc(ncc1Cl)F cdp141 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.3 c1cc(ncc1Cl)S cdp157de9 [0,0,0,0,0,0|2,1,0]=3 11 B8R1.3 c1cc(ncc1F)Cl cdp168 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.3 c1cc(ncc1F)F cdp182 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.3 c1cc(ncc1F)I un137 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.3 c1cc(ncc1F)N cdp161 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.3 c1cc(ncc1I)S cdp157de11 [0,0,0,0,0,0|2,1,0]=3 16 B8R1.3 c1cc(ncc1N)F cdp142 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.3 c1cc(ncc1N)O f009 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.3 c1cc(ncc1N)S cdp157de15 [0,0,0,0,0,0|2,1,0]=3 19 B8R1.3 c1cc(ncc1O)Cl cdp172 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.3 c1cc(ncc1O)O f011 [0,0,0,0,0,0|1,0,0]=1 21 B8R1.3 c1cc(nnc1Br)Br ct254 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.3 c1cc(nnc1)O jg113 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 c1cnncc1N ct267 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 CCc1ccc(cn1)N s006fp2 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.1 CCc1ccc(cn1)O cdp254de7 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.1 COc1ccc(nc1)Cl cdp172fp2 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.1 COc1ccc(nc1)F ct074fp3vp1de5 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.1 COc1ccc(nc1)O rp224 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.1 Cc1ccc(cn1)NC ct051vp1fp2de6 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.1 Cc1ccc(cn1)OC rp054 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.1 c1c(cnc(n1)C=O)O un185 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.1 c1cc(ccc1C#N)S a230 [0,1,0,0,0,0|1,1,0]=3 33 B9R1.1 c1cc(ccc1[N+]#N)Br jmc051 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.1 c1cc(ccc1[N+]#N)F jmc052 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.1 c1cc(ncc1Br)CBr cdp145fp4 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.1 c1cc(ncc1C#N)F rp109 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.1 c1cc(ncc1C=O)I rp017 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.1 c1cc(ncc1CBr)Br fpzz0302fp2 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.1 c1cc(ncc1CO)I rp017vp2 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.1 c1cc(ncc1Cl)CBr cdp179fp1 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.1 c1cc(ncc1F)CO cdp187fp3 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.1 c1cc(ncc1N)C#N cdp165vp1fp2 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.1 c1cc(ncc1O)C#N rp088 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.1 c1cc(ncc1O)C=O un184 [0,1,0,0,0,0|1,0,1]=3 45 B9R1.69 Cc1c(cc(cn1)N)Cl cdp238vp2fp2 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.69 Cc1c(ccc(=O)[nH]1)O f011de1 [0,1,0,0,0,0|1,0,1]=3 47 B9R1.69 Cc1c(ccc(n1)Br)O rp300 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.69 Cc1c(ccc(n1)I)O rp063 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.69 Cc1c(ccc(n1)N)I rp050 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.69 Cc1cc(=O)[nH]cc1O f011de3 [0,1,0,0,0,0|1,0,1]=3 51 B9R1.69 Cc1cc(c(cn1)Cl)N cdp316fp12 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.69 Cc1cc(c(cn1)F)N cdp167fp3 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.69 Cc1cc(c(cn1)I)N cdp316fp3 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.69 Cc1cc(c(cn1)N)N dap28 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.69 Cc1cc(c(nc1)C)Br pb010vp1 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.69 Cc1cc(c(nc1)C)O cdp254de3 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.69 Cc1cc(c(nc1)F)Br un143 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.69 Cc1cc(c(nc1)F)C rp303 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.69 Cc1cc(c(nc1)I)C rp044 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.69 Cc1cc(c(nc1)N)N rp253 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.69 Cc1cc(c(nc1)N)O cdp244fp3 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.69 Cc1cc(c(nc1)O)C a006de17 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.69 Cc1cc(c[nH]c1=O)O f011de2 [0,1,0,0,0,0|1,0,1]=3 64 B9R1.69 Cc1cc(cc[n+]1[O-])Br cdp107fp16 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.69 Cc1cc(cc[n+]1[O-])Cl cdp080fp1 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.69 Cc1cc(cnc1Br)O pb036fp1 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.69 Cc1cc(cnc1C)Br pb051vp1 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.69 Cc1cc(cnc1C)O cdp254de1 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.69 Cc1cc(cnc1Cl)O pb037fp1 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.69 Cc1cc(cnc1I)Br rp048 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.69 Cc1cc(cnc1O)Cl a006de14 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.69 Cc1cc(cnc1O)I rp219 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.69 Cc1cc(ncc1Br)Br ct022 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.69 Cc1cc(ncc1Br)C pb043vp1 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.69 Cc1cc(ncc1C)O a006de10 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.69 Cc1cc(ncc1I)N rp051 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.69 Cc1cc(ncc1O)C cdp254de2 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.69 Cc1ccc(c(c1)S)O jmc070 [0,1,0,0,0,0|1,0,0]=2 79 B9R1.69 Cc1ccc(c(n1)Br)Br rp053 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.69 Cc1ccc(c(n1)Br)N cdp146fp2 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.69 Cc1ccc(c(n1)C)I cdp146fp3de4 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.69 Cc1ccc(c(n1)N)Cl acp002 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.69 Cc1ccc(c(n1)N)N dap3 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.69 Cc1ccc(c[n+]1[O-])Cl cdp179fp3 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.69 Cc1ccc(c[n+]1[O-])F cdp167fp1 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.69 Cc1ccc(nc1Br)Br rp146de2 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.69 Cc1ccc(nc1Br)Cl rp146 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.69 Cc1ccc(nc1Br)F rp146de8 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.69 Cc1ccc(nc1C)N rp261 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.69 Cc1ccc(nc1Cl)Br rp146de1 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.69 Cc1ccc(nc1Cl)F rp146de7 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.69 Cc1ccc(nc1F)Br rp146de4 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.69 Cc1ccc(nc1F)Cl rp146de3 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.69 Cc1ccc(nc1N)C fpzz0294fp2 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.69 Cc1ccc(nc1N)Cl cdp192fp6de3 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.69 Cc1ccc(nc1O)C a006de15 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.69 Cc1cnc(cc1N)N cdp074de3 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.69 Cc1cnc(cc1N)O rp058lit2 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.69 Cc1cnc(cc1O)O ct010vp1fp5 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.69 c1c(c(cnc1Br)Br)N ct088fp9 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.69 c1c(c(cnc1Br)Br)O cdp119fp5 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.69 c1c(c(cnc1Br)Cl)N ct088fp7 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.69 c1c(c(cnc1Br)Cl)O cdp119fp2 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.69 c1c(c(cnc1Br)N)N dap31 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.69 c1c(c(cnc1Br)O)Br cdp175fp2 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.69 c1c(c(cnc1Cl)Br)N cdp092fp7 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.69 c1c(c(cnc1Cl)Cl)Cl ct010fp8 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.69 c1c(c(cnc1Cl)Cl)N rp046 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.69 c1c(c(cnc1Cl)Cl)O rp014 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.69 c1c(c(cnc1Cl)I)N cdp092fp10 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.69 c1c(c(cnc1F)Br)N cdp099fp5 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.69 c1c(c(cnc1F)Cl)N cdp099fp4 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.69 c1c(c(cnc1F)F)Cl rp150 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.69 c1c(c(cnc1F)F)F cdp182de3 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.69 c1c(c(cnc1F)F)I cdp182fp2a [0,1,0,0,0,0|3,0,0]=4 116 B9R1.69 c1c(c(cnc1F)N)N dap24 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.69 c1c(c(cnc1N)Br)Br cdp131fp8 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.69 c1c(c(cnc1N)Br)N cdp104fp6de5 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.69 c1c(c(cnc1N)Br)O cdp104fp6de32 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.69 c1c(c(cnc1N)Cl)Br cdp131fp3 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.69 c1c(c(cnc1N)Cl)Cl cdp104fp4 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.69 c1c(c(cnc1N)Cl)N cdp074fp4 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.69 c1c(c(cnc1N)I)Br cdp131fp16 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.69 c1c(c(cnc1N)N)N cdp074fp8 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.69 c1c(c(cnc1O)Cl)Cl a007de1fp3 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.69 c1c(cnc(c1Br)Br)N s007fp2 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.69 c1c(cnc(c1Br)Cl)O cdp236vp3fp3 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.69 c1c(cnc(c1Br)F)I rp174 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.69 c1c(cnc(c1Br)I)Br un121fp6 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.69 c1c(cnc(c1Br)N)I rp027 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.69 c1c(cnc(c1Br)N)N abp003 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.69 c1c(cnc(c1Br)O)Cl rp091 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.69 c1c(cnc(c1Br)O)F a006de11 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.69 c1c(cnc(c1Br)O)I rp034 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.69 c1c(cnc(c1Br)S)Br cdp108de2lit12 [0,1,0,0,0,0|2,1,0]=4 136 B9R1.69 c1c(cnc(c1Cl)Br)N cdp238vp1fp4 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.69 c1c(cnc(c1Cl)Br)O cdp238vp1fp3 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.69 c1c(cnc(c1Cl)Cl)N cdp238vp2fp1 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.69 c1c(cnc(c1Cl)Cl)O cdp238vp1fp2 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.69 c1c(cnc(c1Cl)F)F cdp182de1 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.69 c1c(cnc(c1Cl)N)Br cdp036fp9 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.69 c1c(cnc(c1Cl)N)F cdp104fp6de6 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.69 c1c(cnc(c1Cl)N)I acp006 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.69 c1c(cnc(c1Cl)N)N cdp036fp7 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.69 c1c(cnc(c1F)N)Br cdp047fp1 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.69 c1c(cnc(c1F)N)I cdp047fp4 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.69 c1c(cnc(c1F)N)N cdp047fp3 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.69 c1c(cnc(c1F)O)Br cdp236vp3de9 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.69 c1c(cnc(c1F)O)F a006de9 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.69 c1c(cnc(c1I)Br)N rp029 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.69 c1c(cnc(c1I)Br)O rp028 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.69 c1c(cnc(c1I)N)F rp016 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.69 c1c(cnc(c1I)N)I rp331 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.69 c1c(cnc(c1I)O)Br rp047 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.69 c1c(cnc(c1N)Cl)Br un163 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.69 c1c(cnc(c1N)Cl)N cdp230fp3 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.69 c1c(cnc(c1N)I)Cl cdp239fp1 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.69 c1c(cnc(c1N)N)F dap13 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.69 c1c(cnc(c1N)O)N cdp230fp2 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.69 c1c[n+](cc(c1N)Cl)[O-] cdp285fp4 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.69 c1cc(c(cc1O)O)S bio027 [0,1,0,0,0,0|0,1,0]=2 162 B9R1.69 c1cc(nc(c1Br)Br)N rp129 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.69 c1cc(nc(c1Br)Cl)N cdp206fp5 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.69 c1cc(nc(c1Br)F)F rp161 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.69 c1cc(nc(c1Br)F)N cdp104fp6de8 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.69 c1cc(nc(c1Br)I)Cl cdp131de1a [0,1,0,0,0,0|3,0,0]=4 167 B9R1.69 c1cc(nc(c1Br)N)Br rp049vp1fp3 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.69 c1cc(nc(c1Br)N)Cl cdp206fp4 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.69 c1cc(nc(c1Br)N)F cdp192fp6 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.69 c1cc(nc(c1Br)N)N abp001 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.69 c1cc(nc(c1Br)N)O cdp194fp3 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.69 c1cc(nc(c1Br)O)Cl cdp236vp3de1 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.69 c1cc(nc(c1Cl)Br)N rp049vp1fp2 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.69 c1cc(nc(c1Cl)Cl)N cdp206fp2 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.69 c1cc(nc(c1Cl)F)F rp160 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.69 c1cc(nc(c1Cl)N)Br rp049vp1fp1 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.69 c1cc(nc(c1Cl)N)Cl cdp206fp3 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.69 c1cc(nc(c1Cl)N)F cdp192fp5a [0,1,0,0,0,0|3,0,0]=4 179 B9R1.69 c1cc(nc(c1Cl)N)N cdp104fp6de1 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.69 c1cc(nc(c1F)F)F cdp182de2 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.69 c1cc(nc(c1F)N)N rp052 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.69 c1cc(nc(c1I)Cl)N cdp206fp9 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.69 c1cc(nc(c1I)F)F rp031 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.69 c1cc(nc(c1I)N)N rp008 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.69 c1cc(nc(c1N)Cl)I rp083 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.69 c1cc(nc(c1N)I)Cl rp225 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.69 c1cc(nc(c1N)N)F dap5 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.69 c1cc(nc(c1N)N)I dap15 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.69 c1cc(nc(c1N)N)N cdp156fp1lit18 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.69 c1cc(nc(c1O)Br)Cl cdp172fp3 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.69 c1cc(nc(c1O)Br)I rp276 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.69 c1cc(nc(c1O)Cl)Br cdp175fp3 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.69 c1cc(nc(c1O)Cl)Cl rp154 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.69 c1cc(nc(c1O)Cl)I rp056 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.69 c1cc(nc(c1O)F)Br rp013 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.69 c1cc(nc(c1O)F)F rp159 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.69 c1cc(nc(c1O)I)Br cdp175fp4 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.69 c1cc(nc(c1O)I)Cl cdp172fp1 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.69 c1cc(nc(c1O)I)I rp277 [0,1,0,0,0,0|2,0,0]=3 200 B7R1.2 Cc1cc(cs1)N un070de2 [0,0,0,0,1,0|3,0,0]=4 201 B8R1.2 c1cc(cnc1)CI cic018 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.2 c1cc(nnc1)CO a065vp [1,1,0,0,0,0|2,0,0]=4 203 B8R1.2 c1ccc(cc1)CI a245 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.4 Cc1cc(ccn1)Br cdp107 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.4 Cc1cc(ccn1)Cl cdp080 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.4 Cc1cc(ccn1)F cdp075 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.4 Cc1cc(ccn1)I cdp316fp1 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.4 Cc1cc(ccn1)O cdp100 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.4 Cc1cc(cnc1)Br cdp226 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.4 Cc1cc(cnc1)Cl cdp237 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.4 Cc1cc(cnc1)F cdp222 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.4 Cc1cc(cnc1)I cdp146fp3de1 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.4 Cc1cc(cnc1)N cdp227 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.4 Cc1cc(cnc1)O cdp244 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.4 Cc1cc(ncn1)O ct360 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.4 Cc1cccc(n1)I rp205 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.4 Cc1cccc(n1)O cdp208 [1,1,0,0,0,0|1,0,0]=3 218 B8R1.4 Cc1ccnc(c1)I cdp146fp3de2 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.4 Cc1ccnc(c1)S cdp200de1 [1,1,0,0,0,0|1,1,0]=4 220 B8R1.4 c1c(cncc1Br)Cl cdp245 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.4 c1c(cncc1Br)F a114 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.4 c1c(cncc1Cl)N cdp239 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.4 c1c(cncc1F)O cdp249 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.4 c1c(cncc1I)I rp068 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.4 c1c(cncc1N)N cdp230 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.4 c1c(cncc1O)N cdp228 [1,1,0,0,0,0|1,0,0]=3 227 B8R1.4 c1c(cncc1O)O cdp229 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.4 c1c[nH]c(=O)cc1Br a007 [1,1,0,0,0,0|1,0,1]=4 229 B8R1.4 c1cc(c[n+](c1)[O-])Cl cdp027vp2 [1,1,0,0,0,0|1,0,1]=4 230 B8R1.4 c1cc(nc(c1)Br)Cl cdp211 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.4 c1cc(nc(c1)Br)F cdp218 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.4 c1cc(nc(c1)Cl)N cdp206 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.4 c1cc(nc(c1)F)N cdp192 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.4 c1cc(nc(c1)F)O cdp213 [1,1,0,0,0,0|1,0,0]=3 235 B8R1.4 c1cc(nc(c1)S)S cdp217np1 [1,1,0,0,0,0|1,1,0]=4 236 B8R1.4 c1cnc(cc1Br)Br ct069 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.4 c1cnc(cc1Br)F cdp135 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.4 c1cnc(cc1Br)N cdp131 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.4 c1cnc(cc1Cl)Cl cdp112 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.4 c1cnc(cc1Cl)O a006 [1,1,0,0,0,0|1,0,0]=3 241 B8R1.4 c1cnc(cc1F)Cl cdp117 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.4 c1cnc(cc1F)F cdp116 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.4 c1cnc(cc1F)O cdp132 [1,1,0,0,0,0|1,0,0]=3 244 B8R1.4 c1cnc(cc1I)I cdp112fp4 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.4 c1cnc(cc1I)N un167 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.4 c1cnc(cc1N)N cdp074 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.4 c1cnc(cc1N)O un001 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.4 c1cnc(cc1O)Br cdp119 [1,1,0,0,0,0|1,0,0]=3 249 B8R1.4 c1cnc(cc1O)F cdp106 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.4 c1cnc(cc1O)N cdp115 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.5 Cc1c(cccn1)F un146 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.5 Cc1c(cccn1)I cdp062fp1 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.5 Cc1c(cncn1)O ct360de5 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.5 Cc1cccnc1F cdp065 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.5 Cc1ccncc1Br ct051vp1 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.5 Cc1ccncc1F cdp253 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.5 Cc1ccncc1I cdp146fp3de3 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.5 Cc1ccncc1O cdp254 [1,1,0,0,0,0|1,0,0]=3 259 B8R1.5 Cc1cnccc1Br cdp269 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.5 Cc1cnccc1F cdp290 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.5 Cc1cnccc1I cdp257fp1 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.5 Cc1cnccc1N cdp257 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.5 Cc1cnccc1O cdp287 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.5 Cc1cncnc1O ct360de3 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.5 c1cc(c(nc1)Br)F cdp034 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.5 c1cc(c(nc1)Br)N cdp035 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.5 c1cc(c(nc1)Cl)F cdp052 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.5 c1cc(c(nc1)F)Br a112 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.5 c1cc(c(nc1)F)Cl cdp071 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.5 c1cc(c(nc1)F)F cdp069 [1,1,0,0,0,0|2,0,0]=4 271 B8R1.5 c1cc(c(nc1)F)N cdp067 [1,1,0,0,0,0|2,0,0]=4 272 B8R1.5 c1cc(c(nc1)F)O cdp005 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.5 c1cc(c(nc1)N)Cl cdp036 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.5 c1cc(c(nc1)N)F cdp047 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.5 c1cc(c(nc1)O)Br cdp055 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.5 c1cc(c(nc1)O)Cl cdp056 [1,1,0,0,0,0|1,0,0]=3 277 B8R1.5 c1cc(c(nc1)O)F cdp068 [1,1,0,0,0,0|1,0,0]=3 278 B8R1.5 c1cc(c(nc1)O)I a006de6 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.5 c1cc(c(nc1)O)N cdp026 [1,1,0,0,0,0|1,0,0]=3 280 B8R1.5 c1cc(c(nc1)O)O cdp021 [1,1,0,0,0,0|1,0,0]=3 281 B8R1.5 c1cncc(c1Br)F cdp260 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.5 c1cncc(c1Cl)F cdp106de3 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.5 c1cncc(c1Cl)O a004 [1,1,0,0,0,0|1,0,0]=3 284 B8R1.5 c1cncc(c1F)Br a113 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.5 c1cncc(c1F)Cl un136 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.5 c1cncc(c1F)F cdp300 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.5 c1cncc(c1F)O un190 [1,1,0,0,0,0|1,0,0]=3 288 B8R1.5 c1cncc(c1N)Cl cdp285 [1,1,0,0,0,0|2,0,0]=4 289 B8R1.5 c1cncc(c1N)F cdp259 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.5 c1cncc(c1N)O un005 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.5 c1cncc(c1O)Cl cdp303 [1,1,0,0,0,0|1,0,0]=3 292 B8R1.5 c1cncc(c1O)F cdp288 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.5 c1cncc(c1O)O cdp271 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.1 CCCc1ccc(cn1)O cdp254de6 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.1 CCOc1ccc(cn1)C a007de1de8 [0,2,0,0,0,0|2,0,0]=4 296 B10R1.1 CCOc1ccc(cn1)N a007de1de4 [0,2,0,0,0,0|2,0,0]=4 297 B10R1.1 CCOc1ccc(nc1)Br ct091de3 [0,2,0,0,0,0|2,0,0]=4 298 B10R1.1 CCOc1ccc(nc1)N a007de1de1 [0,2,0,0,0,0|2,0,0]=4 299 B10R1.1 Cc1ccc(cc1)\C=N\N un316 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.1 c1cc(ccc1C#N=O)Cl jmc048 [0,2,0,0,0,0|1,0,1]=4 301 B10R1.1 c1cc(ccc1\C=N\N)Br un311 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.1 c1cc(ccc1\C=N\N)Cl un312 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.1 c1cc(ccc1\C=N\N)F un310 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.1 c1cc(ccc1\C=N\N)N un314 [0,2,0,0,0,0|2,0,0]=4 305 B10R1.1 c1cc(ccc1\C=N\N)O un315 [0,2,0,0,0,0|1,0,0]=3 306 B10R1.3 COc1ccc(cn1)CO cia028de2de6 [0,2,0,0,0,0|1,0,0]=3 307 B10R1.3 COc1ccc(nc1)C=O cia028de4 [0,2,0,0,0,0|1,0,1]=4 308 B10R1.3 COc1ccc(nc1)CO cia028de2de4 [0,2,0,0,0,0|1,0,0]=3 309 B10R1.3 c1cc(ncc1C#N)CO cia036lit4de6 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.13 B(c1ccc(cn1)Br)(O)O pb034 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.13 B(c1ccc(cn1)C)(O)O un095 [0,2,0,0,0,0|2,0,0]=4 312 B10R1.13 B(c1ccc(nc1)C)(O)O un119 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.13 Cc1ccc(nc1)C(=O)O cdp147 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] un178 [0,2,0,0,0,0|1,0,1]=4 315 B10R1.13 c1cc(ncc1C(=O)O)Br ct055 [0,2,0,0,0,0|2,0,0]=4 316 B10R1.13 c1cc(ncc1C(=O)O)F cdp137 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.13 c1cc(ncc1C(=O)O)I un202 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.13 c1cc(ncc1F)C(=O)O cdp187 [0,2,0,0,0,0|2,0,0]=4 319 B10R1.13 c1cc(ncc1I)C(=O)O cdp165de1 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.13 c1cc(ncc1N)C(=O)O ct083 [0,2,0,0,0,0|2,0,0]=4 321 B10R1.13 c1cc(ncc1O)C(=O)O ct074 [0,2,0,0,0,0|1,0,0]=3 322 B10R1.13 c1cc(ncc1O)[N+](=O)[O-] cdp154 [0,2,0,0,0,0|1,0,1]=4 323 B10R1.13 c1cc(ncc1S)C(=O)O cdp157de3 [0,2,0,0,0,0|1,1,0]=4 324 B10R1.25 COc1ccc(nc1I)Cl ct074fp3vp1de7 [0,2,0,0,0,0|2,0,0]=4 325 B10R1.25 Cc1c(ccc(n1)O)C#N rp320 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.25 Cc1cc(ccc1C#N)S a230lit2 [0,2,0,0,0,0|1,1,0]=4 327 B10R1.25 Cc1cc(ccc1CN)N dn093 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.25 Cc1ccc(c(c1)C)CI cic036 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.25 Cc1ccc(c(n1)C)OC ct074fp3vp1de2 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.25 Cc1ccc(c(n1)I)OC ct074fp3vp1de4 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.25 c1c(c(cnc1Cl)CO)Cl ct010fp1 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.25 c1c(c(cnc1O)CO)O ct010vp1fp1 [0,2,0,0,0,0|1,0,0]=3 333 B10R1.25 c1cc(c(cc1Cl)Cl)CI cic028 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N s001 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N un341 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.176 COc1cc(c(cn1)Br)N cdp092fp4fp4 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.176 COc1cc(c(cn1)Cl)N cdp092fp4fp2 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.176 COc1cc(c(cn1)N)N dap25 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.176 COc1cc(c(nc1)Cl)N rp025 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.176 COc1cc(c(nc1)N)Br abp013 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.176 COc1cc(c(nc1)N)Cl acp020 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.176 COc1cc(c(nc1)N)N dap18 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.176 COc1ccc(c(n1)N)Br cdp104fp6de22 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.176 COc1ccc(c(n1)N)Cl rp021 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.176 Cc1cc(cc[n+]1[O-])CO cia032fp1 [0,2,0,0,0,0|1,0,1]=4 346 B10R1.176 Cc1cc(ncc1C)CO cia036lit3de2 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.176 Cc1ccc(cc1N)CN dn092 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.176 Cc1ccc(nc1C)CO cia036lit3de5 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.176 Cc1ccc(nc1N)OC cdp192fp6de6 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.176 c1cc(c(cc1C#N)Cl)S a230lit1 [0,2,0,0,0,0|1,1,0]=4 351 B10R1.176 c1cc(c(cc1CI)Cl)Cl cic017 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.176 c1cc(c(cc1CN)N)Cl dn100 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.22 Cc1c(c(cc(n1)Br)Br)O rp179 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.22 Cc1c(cc(nc1Cl)O)N rp058lit3 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.22 Cc1c(cc(nc1Cl)O)O rp058 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.22 Cc1cc(c(c(n1)Br)O)Br rp178 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.22 Cc1cc(c(c(n1)I)O)I rp073 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.22 Cc1cc(nc(c1Br)C)O a006de7 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.22 Cc1cc(nc(c1O)C)C cdp254de5 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.22 c1c(c(c(nc1Br)Cl)O)Br cdp175fp6 [0,2,0,0,0,0|2,0,0]=4 361 B10R1.22 c1c(c(c(nc1Br)I)O)Br cdp175fp5 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.22 c1c(c(c(nc1Cl)Br)O)Br cdp172fp4 [0,2,0,0,0,0|2,0,0]=4 363 B10R1.22 c1c(c(c(nc1Cl)Cl)O)Cl a004de7 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.22 c1c(c(c(nc1Cl)I)O)Br cdp172fp1fp1 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.22 c1c(c(c(nc1I)Br)O)I rp275 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.30 CCC1=CC(=O)C=CC1=O a286 [0,2,0,0,0,0|0,0,2]=4 367 B10R1.30 CCc1c(ccc(n1)C)O a197 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.30 CCc1c(ccc(n1)C)O a282 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.30 Cc1ccc(c(n1)C=O)O rp184 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.30 Cc1ccc(cc1CN)N dn094 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.30 Cc1ccc(cc1OC)N a069 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.30 c1cc(c(cc1N)C#N)Br a030 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.118 Cc1cc(c(nc1I)I)O cdp244fp1 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.118 c1c(c(cc(c1N)N)N)N am001 [0,2,0,0,0,0|2,0,0]=4 375 B10R1.118 c1c(c(cc(c1S)S)S)S un373 [0,2,0,0,0,0|0,2,0]=4 376 B10R1.118 c1c(c(nc(c1Br)O)N)Br cdp194fp3np1 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.118 c1c(c(nc(c1Cl)Br)O)Cl rp319 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.118 c1c(c(nc(c1I)O)N)I cdp194fp4 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.119 CC1=C(C(=O)C=CC1=O)C fpzz0112fp1 [0,2,0,0,0,0|0,0,2]=4 380 B10R1.119 Cc1c(c(ccc1O)Br)C fpzz0112fp3 [0,2,0,0,0,0|1,0,0]=3 381 B10R1.119 Cc1c(c(ccc1O)I)C fpzz0112fp2 [0,2,0,0,0,0|1,0,0]=3 382 B10R1.119 Cc1c(cnc(c1Br)O)Br rp180 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.119 c1c(c(c(c(n1)O)Br)O)Br rp164 [0,2,0,0,0,0|2,0,0]=4 384 B6R1.2 c1cc(sc1)N un070de1 [1,0,0,0,1,0|2,0,0]=4 385 B6R1.2 c1cscc1N un070 [1,0,0,0,1,0|2,0,0]=4