0 B8R1.2 C1CCC(=CC1)CO bclit001de5lit8 [0,0,0,0,0,0|0,0,4]=4 1 B8R1.2 c1cc(cnc1)CI cic018 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 c1cc(nnc1)CO a065vp [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 c1ccc(cc1)CI a245 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.2 c1cncnc1C=O a249 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.3 c1cc(nnc1)O jg113 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.3 c1cnncc1N ct267 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.1 CCc1ccc(cn1)N s006fp2 [0,1,0,0,0,0|2,0,0]=3 8 B9R1.1 CCc1ccc(cn1)O cdp254de7 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.1 COc1ccc(nc1)Cl cdp172fp2 [0,1,0,0,0,0|3,0,0]=4 10 B9R1.1 COc1ccc(nc1)F ct074fp3vp1de5 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.1 COc1ccc(nc1)O rp224 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.1 Cc1ccc(cn1)NC ct051vp1fp2de6 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.1 Cc1ccc(cn1)OC rp054 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.1 c1cc(ccc1C#N)S a230 [0,1,0,0,0,0|1,0,1]=3 15 B9R1.1 c1cc(ccc1[N+]#N)Br jmc051 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.1 c1cc(ccc1[N+]#N)F jmc052 [0,1,0,0,0,0|2,0,0]=3 17 B9R1.1 c1cc(ncc1Br)CBr cdp145fp4 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.1 c1cc(ncc1C#N)F rp109 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.1 c1cc(ncc1C=O)I rp017 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.1 c1cc(ncc1CBr)Br fpzz0302fp2 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.1 c1cc(ncc1CO)I rp017vp2 [0,1,0,0,0,0|1,0,0]=2 22 B9R1.1 c1cc(ncc1Cl)CBr cdp179fp1 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.1 c1cc(ncc1F)CO cdp187fp3 [0,1,0,0,0,0|1,0,0]=2 24 B9R1.1 c1cc(ncc1N)C#N cdp165vp1fp2 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.1 c1cc(ncc1O)C#N rp088 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.1 c1cc(ncc1O)C=O un184 [0,1,0,0,0,0|1,0,2]=4 27 B9R1.2 CCc1cc(ccn1)Br a007lit2 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.2 CCc1cc(ccn1)N a007lit1 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.2 CCc1cccc(n1)O a006de4 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.2 CCc1ccnc(c1)O a006de3 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.2 CNc1cc(ccn1)N cdp092fp29 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.2 CNc1ccc[n+](c1)[O-] cdp027vp2fp7de5 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.2 CNc1cccc(n1)N cdp206fp14 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.2 COc1cc(ccn1)Br a007lit7 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.2 COc1cc(ccn1)Cl a007lit6 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.2 COc1cc(ccn1)F rp327 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.2 COc1cc(ccn1)I a007lit5 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.2 COc1cc(ccn1)O a007lit4 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.2 COc1cc(cnc1)Cl rp120 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.2 COc1ccc[n+](c1)[O-] ll002 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.2 COc1cccc(n1)O a006de5 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.2 COc1ccnc(c1)N cdp104fp2 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.2 COc1ccnc(c1)O rp240 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.2 CSc1cc(ccn1)N cdp092fp28 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.2 CSc1ccnc(c1)Cl cdp092fp3 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.2 CSc1ccnc(c1)N cdp104fp42 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.2 Cc1cc(ccn1)C#C cdp107fp18 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.2 Cc1cc(ccn1)C#N cia032vp1 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.2 Cc1cc(ccn1)C=O cia032 [0,1,0,0,0,0|1,0,2]=4 50 B9R1.2 Cc1cc(ccn1)OC cdp316vpfp1 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.2 Cc1cc(cnc1)CCl cdp225fp2 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.2 Cc1cc(cnc1)CO cdp225fp3 [0,1,0,0,0,0|1,0,0]=2 53 B9R1.2 Cc1cc(cnc1)NC ct051vp1fp2de12 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.2 Cc1cc(cnc1)OC ct074fp3vp1de6 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.2 Cc1ccnc(c1)CO cia036lit3 [0,1,0,0,0,0|1,0,0]=2 56 B9R1.2 c1c(cncc1Br)CO cdp240vp1fp1 [0,1,0,0,0,0|1,0,0]=2 57 B9R1.2 c1c(cncc1Cl)C#N cdp027vp1de2 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.2 c1c(cncc1N)CO cdp240fp3fp1 [0,1,0,0,0,0|1,0,0]=2 59 B9R1.2 c1c(cncc1O)C=O cia038de1 [0,1,0,0,0,0|1,0,2]=4 60 B9R1.2 c1c(cncc1O)CO cdp240fp3fp2 [0,1,0,0,0,0|1,0,0]=2 61 B9R1.2 c1cc(c[n+](c1)[O-])NN cdp027vp2fp7de1 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.2 c1cc(cc(c1)S)C#N a230de1 [0,1,0,0,0,0|1,0,1]=3 63 B9R1.2 c1cc(nc(c1)N)C#N rp049 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.2 c1cc(nc(c1)O)C#N rp136 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.2 c1cc(nc(c1)O)C=O un195 [0,1,0,0,0,0|1,0,2]=4 66 B9R1.2 c1cnc(cc1Br)C=O cdp113fp1 [0,1,0,0,0,0|1,0,2]=4 67 B9R1.2 c1cnc(cc1Br)CBr cdp107fp13 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.2 c1cnc(cc1Br)CO cdp107fp4 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.2 c1cnc(cc1C=O)Br cia021 [0,1,0,0,0,0|1,0,2]=4 70 B9R1.2 c1cnc(cc1C=O)Cl cia025 [0,1,0,0,0,0|1,0,2]=4 71 B9R1.2 c1cnc(cc1C=O)F cia020 [0,1,0,0,0,0|1,0,2]=4 72 B9R1.2 c1cnc(cc1C=O)O cia015 [0,1,0,0,0,0|1,0,2]=4 73 B9R1.2 c1cnc(cc1Cl)C=O un125 [0,1,0,0,0,0|1,0,2]=4 74 B9R1.2 c1cnc(cc1Cl)CN cdp104vp1a [0,1,0,0,0,0|2,0,0]=3 75 B9R1.2 c1cnc(cc1F)C#N cdp090vp1fp1 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.6 B(c1ccccn1)(O)O un097 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.6 CS(=O)c1ccccn1 ct006vp1fp4 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.6 CS(=O)c1ccncc1 bio026 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.6 c1cc(nnc1)C(=O)O a065 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.8 c1ccc(cc1)C#N=O jmc047 [0,1,0,0,0,0|0,0,2]=3 81 B9R1.8 c1ccc(cc1)\C=N\N un308 [0,1,0,0,0,0|1,0,1]=3 82 B9R1.15 CCc1cccnc1O a006de13 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.15 COc1ccncc1F ct091de2de9 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.15 COc1ccncc1O rp265 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.15 COc1cnccc1Cl ct074fp3vp1de9 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.15 CSc1c(cccn1)Cl cin105vpfp5 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.15 Cc1c(cccn1)OC ct074fp3vp1de1 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.15 Cc1ccncc1C=O ct051vp1fp3 [0,1,0,0,0,0|1,0,2]=4 89 B9R1.15 Cc1ccncc1NC ct051vp1fp2 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.15 Cc1ccncc1OC ct051vp1fp10 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.15 Cc1cnccc1C=O cia026 [0,1,0,0,0,0|1,0,2]=4 92 B9R1.15 Cc1cnccc1OC rp234 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.15 c1cc(c(nc1)C#N)Cl cdp027vp1 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.15 c1cc(c(nc1)C#N)S cdp027vp1fp3 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.15 c1cc(c(nc1)C=O)Cl un125de1 [0,1,0,0,0,0|1,0,2]=4 96 B9R1.15 c1cc(c(nc1)C=O)N ct255fp3fp9 [0,1,0,0,0,0|1,0,2]=4 97 B9R1.15 c1cc(c(nc1)CBr)Cl cdp023fp1 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.15 c1cc(c(nc1)CN)Cl cdp027vp1fp2 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.15 c1cc(c(nc1)CO)N ct255fp3fp8 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.15 c1cncc(c1Br)C=O cia024de4 [0,1,0,0,0,0|1,0,2]=4 101 B9R1.15 c1cncc(c1C#N)Br ct051vp1fp1 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.15 c1cncc(c1C=O)Cl cia027 [0,1,0,0,0,0|1,0,2]=4 103 B9R1.15 c1cncc(c1C=O)F cia035 [0,1,0,0,0,0|1,0,2]=4 104 B9R1.15 c1cncc(c1C=O)N cia033 [0,1,0,0,0,0|1,0,2]=4 105 B9R1.15 c1cncc(c1C=O)O cia038 [0,1,0,0,0,0|1,0,2]=4 106 B9R1.15 c1cncc(c1CO)Br ct051fp5 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.15 c1cncc(c1CO)F fpzz0408fp1 [0,1,0,0,0,0|1,0,0]=2 108 B9R1.15 c1cncc(c1CO)N f002afp4 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.15 c1cncc(c1CO)O f002fp1fp3 [0,1,0,0,0,0|1,0,0]=2 110 B9R1.15 c1cncc(c1O)C=O rp183 [0,1,0,0,0,0|1,0,2]=4 111 B9R1.15 c1cncc(c1O)CO f002fp1fp3de1 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.1 C(=C\C=O)/C=C/C=O tox013 [0,0,1,0,0,0|1,0,2]=4 113 B7R0.1 C(Br)\C=C\C=C\CBr fpzz0080fp1 [0,0,1,0,0,0|2,0,1]=4 114 B7R1.1 C1CC=C(C1)CO bclit001de5lit10 [0,0,0,0,1,0|0,0,3]=4 115 B7R1.1 C=Cc1ccsc1 a214 [0,0,0,0,1,0|2,0,1]=4 116 B7R1.1 c1cocc1CBr fpzz0131fp1 [0,0,0,0,1,0|2,0,0]=3 117 B8R1.3 Cc1ccc(cn1)Br cdp145 [1,1,0,0,0,0|1,0,0]=3 118 B8R1.3 Cc1ccc(cn1)I cdp146fp3 [1,1,0,0,0,0|1,0,0]=3 119 B8R1.3 Cc1ccc(nc1)I fpzz0302fp5 [1,1,0,0,0,0|1,0,0]=3 120 B8R1.3 Cc1ccc(nc1)O cdp139 [1,1,0,0,0,0|1,0,0]=3 121 B8R1.3 Cc1cnc(nc1)O ct360de2 [1,1,0,0,0,0|2,0,0]=4 122 B8R1.3 Cc1ncc(cn1)Cl ct356de4 [1,1,0,0,0,0|2,0,0]=4 123 B8R1.3 Cc1ncc(cn1)O ct360de4 [1,1,0,0,0,0|2,0,0]=4 124 B8R1.3 c1cc(ncc1Br)F a115 [1,1,0,0,0,0|2,0,0]=4 125 B8R1.3 c1cc(ncc1Br)S cdp157de10 [1,1,0,0,0,0|1,1,0]=4 126 B8R1.3 c1cc(ncc1Cl)F cdp141 [1,1,0,0,0,0|2,0,0]=4 127 B8R1.3 c1cc(ncc1Cl)S cdp157de9 [1,1,0,0,0,0|1,1,0]=4 128 B8R1.3 c1cc(ncc1F)Cl cdp168 [1,1,0,0,0,0|2,0,0]=4 129 B8R1.3 c1cc(ncc1F)F cdp182 [1,1,0,0,0,0|2,0,0]=4 130 B8R1.3 c1cc(ncc1F)I un137 [1,1,0,0,0,0|2,0,0]=4 131 B8R1.3 c1cc(ncc1F)N cdp161 [1,1,0,0,0,0|2,0,0]=4 132 B8R1.3 c1cc(ncc1I)S cdp157de11 [1,1,0,0,0,0|1,1,0]=4 133 B8R1.3 c1cc(ncc1N)F cdp142 [1,1,0,0,0,0|2,0,0]=4 134 B8R1.3 c1cc(ncc1N)O f009 [1,1,0,0,0,0|1,0,0]=3 135 B8R1.3 c1cc(ncc1N)S cdp157de15 [1,1,0,0,0,0|1,1,0]=4 136 B8R1.3 c1cc(ncc1O)Cl cdp172 [1,1,0,0,0,0|1,0,0]=3 137 B8R1.3 c1cc(ncc1O)O f011 [1,1,0,0,0,0|1,0,0]=3 138 B8R1.4 Cc1cc(ccn1)Br cdp107 [1,1,0,0,0,0|1,0,0]=3 139 B8R1.4 Cc1cc(ccn1)Cl cdp080 [1,1,0,0,0,0|1,0,0]=3 140 B8R1.4 Cc1cc(ccn1)F cdp075 [1,1,0,0,0,0|1,0,0]=3 141 B8R1.4 Cc1cc(ccn1)I cdp316fp1 [1,1,0,0,0,0|1,0,0]=3 142 B8R1.4 Cc1cc(ccn1)O cdp100 [1,1,0,0,0,0|1,0,0]=3 143 B8R1.4 Cc1cc(cnc1)Br cdp226 [1,1,0,0,0,0|1,0,0]=3 144 B8R1.4 Cc1cc(cnc1)Cl cdp237 [1,1,0,0,0,0|1,0,0]=3 145 B8R1.4 Cc1cc(cnc1)F cdp222 [1,1,0,0,0,0|1,0,0]=3 146 B8R1.4 Cc1cc(cnc1)I cdp146fp3de1 [1,1,0,0,0,0|1,0,0]=3 147 B8R1.4 Cc1cc(cnc1)N cdp227 [1,1,0,0,0,0|1,0,0]=3 148 B8R1.4 Cc1cc(cnc1)O cdp244 [1,1,0,0,0,0|1,0,0]=3 149 B8R1.4 Cc1cc(ncn1)Br ct356de11 [1,1,0,0,0,0|2,0,0]=4 150 B8R1.4 Cc1cc(ncn1)Cl ct356 [1,1,0,0,0,0|2,0,0]=4 151 B8R1.4 Cc1cc(ncn1)N ct356fp4 [1,1,0,0,0,0|2,0,0]=4 152 B8R1.4 Cc1cc(ncn1)O ct360 [1,1,0,0,0,0|2,0,0]=4 153 B8R1.4 Cc1cccc(n1)I rp205 [1,1,0,0,0,0|1,0,0]=3 154 B8R1.4 Cc1cccc(n1)O cdp208 [1,1,0,0,0,0|1,0,0]=3 155 B8R1.4 Cc1ccnc(c1)I cdp146fp3de2 [1,1,0,0,0,0|1,0,0]=3 156 B8R1.4 Cc1ccnc(c1)S cdp200de1 [1,1,0,0,0,0|1,0,0]=3 157 B8R1.4 c1c(cncc1Br)Cl cdp245 [1,1,0,0,0,0|2,0,0]=4 158 B8R1.4 c1c(cncc1Br)F a114 [1,1,0,0,0,0|2,0,0]=4 159 B8R1.4 c1c(cncc1Cl)N cdp239 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.4 c1c(cncc1F)O cdp249 [1,1,0,0,0,0|1,0,0]=3 161 B8R1.4 c1c(cncc1I)I rp068 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.4 c1c(cncc1N)N cdp230 [1,1,0,0,0,0|2,0,0]=4 163 B8R1.4 c1c(cncc1O)N cdp228 [1,1,0,0,0,0|1,0,0]=3 164 B8R1.4 c1c(cncc1O)O cdp229 [1,1,0,0,0,0|1,0,0]=3 165 B8R1.4 c1c[nH]c(=O)cc1Br a007 [1,1,0,0,0,0|1,0,1]=4 166 B8R1.4 c1cc(c[n+](c1)[O-])Cl cdp027vp2 [1,1,0,0,0,0|1,0,1]=4 167 B8R1.4 c1cc(nc(c1)Br)Cl cdp211 [1,1,0,0,0,0|2,0,0]=4 168 B8R1.4 c1cc(nc(c1)Br)F cdp218 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.4 c1cc(nc(c1)Cl)N cdp206 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.4 c1cc(nc(c1)F)N cdp192 [1,1,0,0,0,0|2,0,0]=4 171 B8R1.4 c1cc(nc(c1)F)O cdp213 [1,1,0,0,0,0|1,0,0]=3 172 B8R1.4 c1cc(nc(c1)S)S cdp217np1 [1,1,0,0,0,0|1,1,0]=4 173 B8R1.4 c1cnc(cc1Br)Br ct069 [1,1,0,0,0,0|2,0,0]=4 174 B8R1.4 c1cnc(cc1Br)F cdp135 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.4 c1cnc(cc1Br)N cdp131 [1,1,0,0,0,0|2,0,0]=4 176 B8R1.4 c1cnc(cc1Cl)Cl cdp112 [1,1,0,0,0,0|2,0,0]=4 177 B8R1.4 c1cnc(cc1Cl)O a006 [1,1,0,0,0,0|1,0,0]=3 178 B8R1.4 c1cnc(cc1F)Cl cdp117 [1,1,0,0,0,0|2,0,0]=4 179 B8R1.4 c1cnc(cc1F)F cdp116 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.4 c1cnc(cc1F)O cdp132 [1,1,0,0,0,0|1,0,0]=3 181 B8R1.4 c1cnc(cc1I)I cdp112fp4 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.4 c1cnc(cc1I)N un167 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.4 c1cnc(cc1N)N cdp074 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.4 c1cnc(cc1N)O un001 [1,1,0,0,0,0|1,0,0]=3 185 B8R1.4 c1cnc(cc1O)Br cdp119 [1,1,0,0,0,0|1,0,0]=3 186 B8R1.4 c1cnc(cc1O)F cdp106 [1,1,0,0,0,0|1,0,0]=3 187 B8R1.4 c1cnc(cc1O)N cdp115 [1,1,0,0,0,0|1,0,0]=3 188 B8R1.5 Cc1c(cccn1)F un146 [1,1,0,0,0,0|1,0,0]=3 189 B8R1.5 Cc1c(cccn1)I cdp062fp1 [1,1,0,0,0,0|1,0,0]=3 190 B8R1.5 Cc1c(cncn1)O ct360de5 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.5 Cc1cccnc1F cdp065 [1,1,0,0,0,0|1,0,0]=3 192 B8R1.5 Cc1ccncc1Br ct051vp1 [1,1,0,0,0,0|1,0,0]=3 193 B8R1.5 Cc1ccncc1F cdp253 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.5 Cc1ccncc1I cdp146fp3de3 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.5 Cc1ccncc1O cdp254 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.5 Cc1cnccc1Br cdp269 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.5 Cc1cnccc1F cdp290 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.5 Cc1cnccc1I cdp257fp1 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.5 Cc1cnccc1N cdp257 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.5 Cc1cnccc1O cdp287 [1,1,0,0,0,0|1,0,0]=3 201 B8R1.5 Cc1cncnc1Cl ct356de3 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.5 Cc1cncnc1O ct360de3 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.5 c1cc(c(nc1)Br)F cdp034 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.5 c1cc(c(nc1)Br)N cdp035 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.5 c1cc(c(nc1)Cl)F cdp052 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.5 c1cc(c(nc1)F)Br a112 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.5 c1cc(c(nc1)F)Cl cdp071 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.5 c1cc(c(nc1)F)F cdp069 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.5 c1cc(c(nc1)F)N cdp067 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.5 c1cc(c(nc1)F)O cdp005 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.5 c1cc(c(nc1)N)Cl cdp036 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.5 c1cc(c(nc1)N)F cdp047 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.5 c1cc(c(nc1)O)Br cdp055 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.5 c1cc(c(nc1)O)Cl cdp056 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.5 c1cc(c(nc1)O)F cdp068 [1,1,0,0,0,0|1,0,0]=3 216 B8R1.5 c1cc(c(nc1)O)I a006de6 [1,1,0,0,0,0|1,0,0]=3 217 B8R1.5 c1cc(c(nc1)O)N cdp026 [1,1,0,0,0,0|1,0,0]=3 218 B8R1.5 c1cc(c(nc1)O)O cdp021 [1,1,0,0,0,0|1,0,0]=3 219 B8R1.5 c1cncc(c1Br)F cdp260 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.5 c1cncc(c1Cl)F cdp106de3 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.5 c1cncc(c1Cl)O a004 [1,1,0,0,0,0|1,0,0]=3 222 B8R1.5 c1cncc(c1F)Br a113 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.5 c1cncc(c1F)Cl un136 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.5 c1cncc(c1F)F cdp300 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.5 c1cncc(c1F)O un190 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.5 c1cncc(c1N)Cl cdp285 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.5 c1cncc(c1N)F cdp259 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.5 c1cncc(c1N)O un005 [1,1,0,0,0,0|1,0,0]=3 229 B8R1.5 c1cncc(c1O)Cl cdp303 [1,1,0,0,0,0|1,0,0]=3 230 B8R1.5 c1cncc(c1O)F cdp288 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.5 c1cncc(c1O)O cdp271 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.19 CSc1cccccc1=S s045 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.1 CCCc1ccc(cn1)O cdp254de6 [0,2,0,0,0,0|2,0,0]=4 234 B10R1.1 CCNc1ccc(nc1)C ct051vp1fp2de8 [0,2,0,0,0,0|2,0,0]=4 235 B10R1.1 CCOc1ccc(cn1)C a007de1de8 [0,2,0,0,0,0|2,0,0]=4 236 B10R1.1 CCOc1ccc(cn1)N a007de1de4 [0,2,0,0,0,0|2,0,0]=4 237 B10R1.1 CCOc1ccc(nc1)Br ct091de3 [0,2,0,0,0,0|2,0,0]=4 238 B10R1.1 CCOc1ccc(nc1)N a007de1de1 [0,2,0,0,0,0|2,0,0]=4 239 B10R1.1 Cc1ccc(cc1)\C=N\N un316 [0,2,0,0,0,0|1,0,1]=4 240 B10R1.1 Cc1ccc(cn1)CC=C cdp145fp3 [0,2,0,0,0,0|2,0,0]=4 241 B10R1.1 c1cc(ccc1C#N=O)Cl jmc048 [0,2,0,0,0,0|0,0,2]=4 242 B10R1.1 c1cc(ccc1\C=N\N)Br un311 [0,2,0,0,0,0|1,0,1]=4 243 B10R1.1 c1cc(ccc1\C=N\N)Cl un312 [0,2,0,0,0,0|1,0,1]=4 244 B10R1.1 c1cc(ccc1\C=N\N)F un310 [0,2,0,0,0,0|1,0,1]=4 245 B10R1.1 c1cc(ccc1\C=N\N)N un314 [0,2,0,0,0,0|1,0,1]=4 246 B10R1.1 c1cc(ccc1\C=N\N)O un315 [0,2,0,0,0,0|1,0,1]=4 247 B10R1.1 c1cc(ncc1F)CC#N cdp182fp1 [0,2,0,0,0,0|2,0,0]=4 248 B10R1.3 COc1ccc(cn1)CO cia028de2de6 [0,2,0,0,0,0|1,0,0]=3 249 B10R1.3 COc1ccc(nc1)CO cia028de2de4 [0,2,0,0,0,0|1,0,0]=3 250 B10R1.3 c1cc(ncc1C#N)CO cia036lit4de6 [0,2,0,0,0,0|1,0,0]=3 251 B10R1.13 B(c1ccc(cn1)Br)(O)O pb034 [0,2,0,0,0,0|2,0,0]=4 252 B10R1.13 B(c1ccc(cn1)C)(O)O un095 [0,2,0,0,0,0|2,0,0]=4 253 B10R1.13 B(c1ccc(nc1)C)(O)O un119 [0,2,0,0,0,0|2,0,0]=4 254 B10R1.13 Cc1ccc(nc1)C(=O)O cdp147 [0,2,0,0,0,0|1,0,1]=4 255 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] un178 [0,2,0,0,0,0|1,0,1]=4 256 B10R1.13 c1cc(ncc1Br)C(Br)Br cdp145fp2 [0,2,0,0,0,0|2,0,0]=4 257 B10R1.13 c1cc(ncc1C(=O)O)Br ct055 [0,2,0,0,0,0|1,0,1]=4 258 B10R1.13 c1cc(ncc1C(=O)O)F cdp137 [0,2,0,0,0,0|1,0,1]=4 259 B10R1.13 c1cc(ncc1C(=O)O)I un202 [0,2,0,0,0,0|1,0,1]=4 260 B10R1.13 c1cc(ncc1Cl)C(Cl)Cl cdp179fp2 [0,2,0,0,0,0|2,0,0]=4 261 B10R1.13 c1cc(ncc1F)C(=O)O cdp187 [0,2,0,0,0,0|1,0,1]=4 262 B10R1.13 c1cc(ncc1I)C(=O)O cdp165de1 [0,2,0,0,0,0|1,0,1]=4 263 B10R1.13 c1cc(ncc1N)C(=O)O ct083 [0,2,0,0,0,0|1,0,1]=4 264 B10R1.13 c1cc(ncc1O)C(=O)O ct074 [0,2,0,0,0,0|1,0,1]=4 265 B10R1.13 c1cc(ncc1S)C(=O)O cdp157de3 [0,2,0,0,0,0|1,0,1]=4 266 B10R1.25 Cc1cc(ccc1C#N)S a230lit2 [0,2,0,0,0,0|1,0,1]=4 267 B10R1.25 Cc1cc(ccc1CN)N dn093 [0,2,0,0,0,0|1,0,0]=3 268 B10R1.25 Cc1ccc(c(c1)C)CI cic036 [0,2,0,0,0,0|1,0,0]=3 269 B10R1.25 c1c(c(cnc1Cl)CCl)Cl ct010fp2 [0,2,0,0,0,0|2,0,0]=4 270 B10R1.25 c1c(c(cnc1Cl)CO)Cl ct010fp1 [0,2,0,0,0,0|1,0,0]=3 271 B10R1.25 c1c(c(cnc1O)CO)O ct010vp1fp1 [0,2,0,0,0,0|1,0,0]=3 272 B10R1.25 c1cc(c(cc1Cl)Cl)CI cic028 [0,2,0,0,0,0|1,0,0]=3 273 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N s001 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N un341 [0,2,0,0,0,0|2,0,0]=4 275 B10R1.176 CCc1cc(c(nc1)C)O cdp254de9 [0,2,0,0,0,0|2,0,0]=4 276 B10R1.176 CCc1ccc(c(n1)N)Br abp014 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.176 CCc1ccc(c(n1)N)Cl acp022 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.176 CCn1ccc(=O)c(c1)O un340 [0,2,0,0,0,0|2,0,0]=4 279 B10R1.176 Cc1cc(cc[n+]1[O-])CO cia032fp1 [0,2,0,0,0,0|1,0,0]=3 280 B10R1.176 Cc1cc(ncc1C)CO cia036lit3de2 [0,2,0,0,0,0|1,0,0]=3 281 B10R1.176 Cc1ccc(cc1N)CN dn092 [0,2,0,0,0,0|1,0,0]=3 282 B10R1.176 Cc1ccc(nc1C)CO cia036lit3de5 [0,2,0,0,0,0|1,0,0]=3 283 B10R1.176 c1cc(c(cc1C#N)Cl)S a230lit1 [0,2,0,0,0,0|1,0,1]=4 284 B10R1.176 c1cc(c(cc1CI)Cl)Cl cic017 [0,2,0,0,0,0|1,0,0]=3 285 B10R1.176 c1cc(c(cc1CN)N)Cl dn100 [0,2,0,0,0,0|1,0,0]=3 286 B10R1.2 CCc1ccnc(c1Br)N abp005 [0,2,0,0,0,0|2,0,0]=4 287 B10R1.2 CCc1ccnc(c1Cl)N acp011 [0,2,0,0,0,0|2,0,0]=4 288 B10R1.2 Cc1c(ccnc1Cl)CO rp018vp3 [0,2,0,0,0,0|1,0,0]=3 289 B10R1.2 Cc1c(nccc1CO)C cia036lit3de6 [0,2,0,0,0,0|1,0,0]=3 290 B10R1.2 Cc1cccc(c1C)CN a059 [0,2,0,0,0,0|1,0,0]=3 291 B10R1.2 c1cnc(c(c1Br)Cl)CO cdp316fp9de2 [0,2,0,0,0,0|1,0,0]=3 292 B10R1.2 c1cnc(c(c1CO)Cl)Cl cin105fp3 [0,2,0,0,0,0|1,0,0]=3 293 B10R1.2 c1cnc(c(c1Cl)Cl)CO cdp316fp9 [0,2,0,0,0,0|1,0,0]=3 294 B10R1.8 Cc1cc(cc(n1)C)CCl cia036de2 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.8 Cc1cc(cc(n1)C)CO cia036lit5 [0,2,0,0,0,0|1,0,0]=3 296 B10R1.8 Cc1cc(cc(n1)CO)Br cdp107fp21 [0,2,0,0,0,0|1,0,0]=3 297 B10R1.8 Cc1cc(nc(c1)CO)C cia036lit3de1 [0,2,0,0,0,0|1,0,0]=3 298 B10R1.8 c1c(cc(cc1N)Cl)CN dn099 [0,2,0,0,0,0|1,0,0]=3 299 B10R1.10 CCCc1ccnc(c1)N a177 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.10 CCNc1cc(cnc1)C ct051vp1fp2de13 [0,2,0,0,0,0|2,0,0]=4 301 B10R1.10 CCNc1ccc[n+](c1)[O-] cdp027vp2fp7de4 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.10 CCNc1cccc(n1)N cdp206fp13 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.10 CCOc1cc(ccn1)Br ct091 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.10 CCOc1cc(ccn1)C a007de1de9 [0,2,0,0,0,0|2,0,0]=4 305 B10R1.10 CCOc1cc(ccn1)Cl a007de1fp1 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.10 CCOc1cc(ccn1)N a007de1 [0,2,0,0,0,0|2,0,0]=4 307 B10R1.10 CCOc1cc(cnc1)Cl rp121 [0,2,0,0,0,0|2,0,0]=4 308 B10R1.10 CCOc1cc(cnc1)N cdp229de1 [0,2,0,0,0,0|2,0,0]=4 309 B10R1.10 CCOc1cc(cnc1)O cdp229de2 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.10 CCOc1cccc(n1)C a007de1de7 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.10 CCOc1cccc(n1)F rp007 [0,2,0,0,0,0|2,0,0]=4 312 B10R1.10 CCOc1cccc(n1)N cdp194fp3vp1 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.10 CCOc1ccnc(c1)Br ct091de2 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.10 CCOc1ccnc(c1)C ct091de2de3 [0,2,0,0,0,0|2,0,0]=4 315 B10R1.10 CCOc1ccnc(c1)Cl ct091de2de2 [0,2,0,0,0,0|2,0,0]=4 316 B10R1.10 CCOc1ccnc(c1)F ct091de2de8 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.10 CCOc1ccnc(c1)N ct368 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.10 Cc1cccc(c1)\C=N\N un309 [0,2,0,0,0,0|1,0,1]=4 319 B10R1.10 c1cc(cc(c1)Br)\C=N\N un317 [0,2,0,0,0,0|1,0,1]=4 320 B10R1.10 c1cc(cc(c1)Cl)\C=N\N un318 [0,2,0,0,0,0|1,0,1]=4 321 B10R1.10 c1cc(cc(c1)Cl)\C=N\O jmc046 [0,2,0,0,0,0|0,0,1]=3 322 B10R1.10 c1cc(cc(c1)N)\C=N\N un319 [0,2,0,0,0,0|1,0,1]=4 323 B10R1.10 c1cc(cc(c1)O)\C=N\N un321 [0,2,0,0,0,0|1,0,1]=4 324 B10R1.30 CCC1=CC(=O)C=CC1=O a286 [0,2,0,0,0,0|1,0,0]=3 325 B10R1.30 CCc1c(ccc(n1)C)O a197 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.30 CCc1c(ccc(n1)C)O a282 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.30 CCc1c(ccc(n1)N)Br abp015 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.30 CCc1c(ccc(n1)N)Cl acp023 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.30 CCc1cc(ncc1Br)N abp006 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.30 CCc1cc(ncc1Cl)N acp012 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.30 Cc1cc(c(cn1)C)CO cia036lit3de8 [0,2,0,0,0,0|1,0,0]=3 332 B10R1.30 Cc1ccc(cc1CN)N dn094 [0,2,0,0,0,0|1,0,0]=3 333 B10R1.30 Cc1ccc(cc1OC)N a069 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.30 Cc1ccc(nc1CO)C cia036lit3de7 [0,2,0,0,0,0|1,0,0]=3 335 B10R1.30 Cc1cnc(cc1CO)Cl cin047np1fp1 [0,2,0,0,0,0|1,0,0]=3 336 B10R1.30 c1cc(c(cc1N)C#N)Br a030 [0,2,0,0,0,0|1,0,1]=4 337 B10R1.30 c1cc(nc(c1F)CO)Br s013fp3 [0,2,0,0,0,0|1,0,0]=3 338 B10R1.113 B(c1cc(ccn1)C)(O)O un096 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.113 B(c1cc(cnc1)C)(O)O un080 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.113 B(c1cccc(n1)Br)(O)O un092 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.113 B(c1cccc(n1)C)(O)O un094 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.113 B(c1cccc(n1)Cl)(O)O pb029 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.113 B(c1cccc(n1)F)(O)O pb031 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.113 B(c1ccnc(c1)Br)(O)O ct069fp3 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.113 Cc1cc(ccn1)C(=O)O cdp082 [0,2,0,0,0,0|1,0,1]=4 346 B10R1.113 Cc1cc(cnc1)C(=O)O cdp225 [0,2,0,0,0,0|1,0,1]=4 347 B10R1.113 Cc1ccnc(c1)C(=O)O cdp081 [0,2,0,0,0,0|1,0,1]=4 348 B10R1.113 c1c(cncc1Br)C(=O)O cdp240vp1 [0,2,0,0,0,0|1,0,1]=4 349 B10R1.113 c1c(cncc1Cl)C(=O)O ct036 [0,2,0,0,0,0|1,0,1]=4 350 B10R1.113 c1c(cncc1I)C(=O)O cdp240fp1 [0,2,0,0,0,0|1,0,1]=4 351 B10R1.113 c1c(cncc1N)C(=O)O cdp240 [0,2,0,0,0,0|1,0,1]=4 352 B10R1.113 c1c(cncc1S)C(=O)O cdp157de6 [0,2,0,0,0,0|1,0,1]=4 353 B10R1.113 c1cc(nc(c1)Br)C(=O)O cdp202 [0,2,0,0,0,0|1,0,1]=4 354 B10R1.113 c1cc(nc(c1)F)C(=O)O cdp191 [0,2,0,0,0,0|1,0,1]=4 355 B10R1.113 c1cc(nc(c1)S)C(=O)O cdp157de4 [0,2,0,0,0,0|1,0,1]=4 356 B10R1.113 c1cnc(cc1Br)C(=O)O cdp113 [0,2,0,0,0,0|1,0,1]=4 357 B10R1.113 c1cnc(cc1Br)C(Br)Br cdp107fp26 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.113 c1cnc(cc1C(=O)O)Br cdp128 [0,2,0,0,0,0|1,0,1]=4 359 B10R1.113 c1cnc(cc1C(=O)O)F cdp073 [0,2,0,0,0,0|1,0,1]=4 360 B10R1.113 c1cnc(cc1C(=O)O)N cdp088 [0,2,0,0,0,0|1,0,1]=4 361 B10R1.113 c1cnc(cc1C(=O)O)S cdp157de7 [0,2,0,0,0,0|1,0,1]=4 362 B10R1.113 c1cnc(cc1Cl)C(=O)O cdp085 [0,2,0,0,0,0|1,0,1]=4 363 B10R1.113 c1cnc(cc1F)C(=O)O un200 [0,2,0,0,0,0|1,0,1]=4 364 B10R1.113 c1cnc(cc1O)C(=O)O cdp108 [0,2,0,0,0,0|1,0,1]=4 365 B10R1.113 c1cnc(cc1S)C(=O)O cdp157de2 [0,2,0,0,0,0|1,0,1]=4 366 B10R1.172 CCc1cc(ccn1)C#N a007lit3 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.172 COc1cccc(n1)CO cia028de2de5 [0,2,0,0,0,0|1,0,0]=3 368 B10R1.172 COc1ccnc(c1)CO cia028de2de3 [0,2,0,0,0,0|1,0,0]=3 369 B10R1.172 c1cc(nc(c1)C#N)CO cia036lit4de2 [0,2,0,0,0,0|1,0,0]=3 370 B10R1.172 c1cc(nc(c1)C=O)CO cia036lit3de14 [0,2,0,0,0,0|1,0,0]=3 371 B10R1.172 c1cnc(cc1C#N)CO cia036lit4 [0,2,0,0,0,0|1,0,0]=3 372 B10R1.172 c1cnc(cc1C=O)CO cia036lit3de12 [0,2,0,0,0,0|1,0,0]=3 373 B10R1.172 c1cnc(cc1CO)C#N cia036lit4de1 [0,2,0,0,0,0|1,0,0]=3 374 B10R1.172 c1cnc(cc1CO)C=O cia036lit3de13 [0,2,0,0,0,0|1,0,0]=3 375 B10R1.28 c1cnccc1S(=O)(=O)O a137 [0,2,0,0,0,0|2,0,0]=4 376 B10R1.61 B(c1c(cccn1)C)(O)O pb030 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.61 B(c1c(cccn1)F)(O)O pb038 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.61 B(c1cccnc1C)(O)O pb035 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.61 B(c1ccncc1F)(O)O cdp288vp1 [0,2,0,0,0,0|2,0,0]=4 380 B10R1.61 B(c1cnccc1Br)(O)O a005vp2 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.61 B(c1cnccc1C)(O)O un083 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.61 B(c1cnccc1Cl)(O)O a004vp2 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.61 Cc1c(cccn1)C(=O)O cdp048 [0,2,0,0,0,0|1,0,1]=4 384 B10R1.61 Cc1cnccc1C(=O)O cdp263 [0,2,0,0,0,0|1,0,1]=4 385 B10R1.61 c1cc(c(nc1)C(=O)O)Br cdp045 [0,2,0,0,0,0|1,0,1]=4 386 B10R1.61 c1cc(c(nc1)C(=O)O)Cl cdp027 [0,2,0,0,0,0|1,0,1]=4 387 B10R1.61 c1cc(c(nc1)C(=O)O)F cdp006 [0,2,0,0,0,0|1,0,1]=4 388 B10R1.61 c1cc(c(nc1)C(=O)O)N ct255 [0,2,0,0,0,0|1,0,1]=4 389 B10R1.61 c1cc(c(nc1)C(=O)O)S cdp157de1 [0,2,0,0,0,0|1,0,1]=4 390 B10R1.61 c1cc(c(nc1)F)C(=O)O cdp072 [0,2,0,0,0,0|1,0,1]=4 391 B10R1.61 c1cc(c(nc1)I)C(=O)O un202de1 [0,2,0,0,0,0|1,0,1]=4 392 B10R1.61 c1cncc(c1C(=O)O)Br ct051 [0,2,0,0,0,0|1,0,1]=4 393 B10R1.61 c1cncc(c1C(=O)O)F cdp252 [0,2,0,0,0,0|1,0,1]=4 394 B10R1.61 c1cncc(c1C(=O)O)N f002a [0,2,0,0,0,0|1,0,1]=4 395 B10R1.61 c1cncc(c1C(=O)O)O f002 [0,2,0,0,0,0|1,0,1]=4 396 B10R1.61 c1cncc(c1C(=O)O)S cdp157de8 [0,2,0,0,0,0|1,0,1]=4 397 B10R1.61 c1cncc(c1I)C(=O)O ct438 [0,2,0,0,0,0|1,0,1]=4 398 B10R1.61 c1cncc(c1N)C(=O)O cdp268 [0,2,0,0,0,0|1,0,1]=4 399 B10R1.61 c1cncc(c1O)C(=O)O ct342 [0,2,0,0,0,0|1,0,1]=4 400 B10R1.61 c1cncc(c1S)C(=O)O cdp157de5 [0,2,0,0,0,0|1,0,1]=4 401 B10R1.4 CCCc1ccncc1O cdp254de8 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.4 CCNc1cnccc1C ct051vp1fp2de2 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.4 CCOc1c(cccn1)C a007de1de11 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.4 CCOc1c(cccn1)Cl cin105vpfp2 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.4 CCOc1c(cccn1)N a007de1de3 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.4 CCOc1cccnc1Br ct091de1 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.4 CCOc1cccnc1C rp328 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.4 CCOc1cccnc1N rp140 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.4 CCOc1ccncc1Br ct091de6 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.4 CCOc1ccncc1C ct091de2de5 [0,2,0,0,0,0|2,0,0]=4 411 B10R1.4 CCOc1ccncc1Cl ct091de2de7 [0,2,0,0,0,0|2,0,0]=4 412 B10R1.4 CCOc1ccncc1F ct091de2de6 [0,2,0,0,0,0|2,0,0]=4 413 B10R1.4 CCOc1cnccc1Br ct091de7 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.4 CCOc1cnccc1N a007de1de13 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.4 c1cc(c(nc1)CC#N)Br un067fp1 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.17 CN\N=C\c1ccccc1 jmc010 [0,2,0,0,0,0|1,0,1]=4 417 B10R1.17 c1cc(cnc1)CCCCl tv003vp1 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.17 c1cc(cnc1)CCCN tv003 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.17 c1ccc(cc1)C\C=N\O ab004 [0,2,0,0,0,0|0,0,0]=2 420 B10R1.17 c1cnccc1CCCCl tv004vp1 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.17 c1cnccc1CCCN tv004 [0,2,0,0,0,0|2,0,0]=4 422 B10R1.20 CCc1cccnc1C#N cdp027vp1de7 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.20 COc1cccnc1CO cia028de2de2 [0,2,0,0,0,0|1,0,0]=3 424 B10R1.20 COc1cnccc1CO cia028de2vp1 [0,2,0,0,0,0|1,0,0]=3 425 B10R1.245 Cc1cncc(c1CO)C cia036lit3de3 [0,2,0,0,0,0|1,0,0]=3 426 B10R1.245 c1cc(c(c(c1)Cl)C=O)O ct137 [0,2,0,0,0,0|0,0,2]=4 427 B10R2.7 c1ccc2cscc2c1 hs2-b024lit9 [0,1,0,1,0,0|0,1,1]=4 428 B10R2.7 c1cncc2c1cco2 f002fp3 [0,1,0,1,0,0|1,0,1]=4 429 B6R1.2 c1cc(sc1)N un070de1 [1,0,0,0,1,0|2,0,0]=4 430 B6R1.2 c1cscc1N un070 [1,0,0,0,1,0|2,0,0]=4