0 B10R1.15 C#CC(c1ccccc1)O TS36663 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.15 C=C(CO)c1ccncc1 TS36912 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.15 C=CC(c1ccccc1)O TS36829 [0,0,0,0,0,0|0,0,4]=4 4 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [0,0,0,0,0,0|0,0,4]=4 6 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [0,0,0,0,0,0|0,0,4]=4 7 B10R1.15 CC(=NN)c1ccccc1 TS05912 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CC(=NO)c1ccccc1 TS36930 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CC(=NO)c1cccnc1 TS06046 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.15 CC(=NO)c1ccncc1 TS06055 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.15 CC(CBr)c1ccccc1 TS54166 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.15 CC(CN)c1ccccc1 TS36949 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.15 CC(CO)c1ccccc1 TS06093 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.15 CC=C(C)c1ccccc1 TS36697 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.15 CCC(=C)c1ccccc1 TS36703 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.15 CCC(=O)c1ccccc1 TS00059 [0,0,0,0,0,0|0,0,0]=0 18 B10R1.15 CCC(=O)c1ccccn1 TS36934 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.15 CCC(=O)c1cccnc1 TS36927 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.15 CCC(=O)c1ccncc1 TS36919 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.15 CCC(=O)c1cnccn1 TS88981 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.15 CCC(C)c1ccccc1 TS36864 [0,0,0,0,0,0|1,0,1]=2 23 B10R1.15 CCC(C)c1cnccn1 TS37025 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.15 CCC(c1ccccc1)N TS36947 [0,0,0,0,0,0|1,0,1]=2 25 B10R1.15 CCC(c1ccccc1)O TS37007 [0,0,0,0,0,0|0,0,2]=2 26 B10R1.15 CCC(c1ccncc1)N TS06101 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.15 CCC(c1cnccn1)N TS90912 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.15 CCN(C)c1ccccc1 TS36948 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.15 CCN(c1ccccc1)N TS06110 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [0,0,0,0,0,0|1,0,1]=2 31 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [0,0,0,0,0,0|0,0,2]=2 32 B10R1.15 CN(C=O)c1ccccc1 TS36925 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.15 CN(c1ccccc1)N=O TS06063 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.15 CNC(=O)c1ccccc1 TS01597 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.15 CNC(=O)c1cccnc1 TS06060 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.15 COC(=N)c1ccccc1 TS45386 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.15 COC(=N)c1ccccn1 TS02314 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.15 COC(=N)c1cnccn1 TS06178 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.15 COC(=O)N1CC=CC=C1 TS06359 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.15 COC(=O)c1ccccc1 TS00163 [0,0,0,0,0,0|1,0,0]=1 41 B10R1.15 COC(=O)c1ccccn1 TS06161 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.15 COC(=O)c1cccnc1 TS37100 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.15 COC(=O)c1cccnn1 TS90030 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.15 COC(=O)c1ccncc1 TS06163 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.15 COC(=O)c1ccncn1 TS59823 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.15 COC(=O)c1ccnnc1 TS90861 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.15 COC(=O)c1cncnc1 TS01558 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.15 COC(=O)c1ncccn1 TS01557 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.15 COS(=O)c1ccccc1 TS10693 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [0,0,0,0,0,0|2,0,1]=3 53 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [0,0,0,0,0,0|2,0,1]=3 55 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [0,0,0,0,0,0|2,0,1]=3 56 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [0,0,0,0,0,0|2,0,1]=3 57 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [0,0,0,0,0,0|2,0,1]=3 58 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [0,0,0,0,0,0|2,0,2]=4 60 B10R1.15 c1cc(cnc1)C(=NO)N TS08672 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [0,0,0,0,0,0|2,0,0]=2 63 B10R1.15 c1cc(cnc1)C(=O)NN TS56400 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.15 c1cc(cnc1)C(=O)NO TS37159 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [0,0,0,0,0,0|2,0,2]=4 66 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [0,0,0,0,0,0|2,0,2]=4 67 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [0,0,0,0,0,0|2,0,1]=3 68 B10R1.15 c1ccc(cc1)C(=NN)Cl TS41464 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.15 c1ccc(cc1)C(=NO)Cl TS10615 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.15 c1ccc(cc1)C(=O)C#N TS05650 [0,0,0,0,0,0|1,0,1]=2 71 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [0,0,0,0,0,0|1,0,1]=2 72 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [0,0,0,0,0,0|1,0,0]=1 73 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [0,0,0,0,0,0|1,0,0]=1 74 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [0,0,0,0,0,0|1,0,0]=1 75 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [0,0,0,0,0,0|1,0,0]=1 76 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [0,0,0,0,0,0|2,0,0]=2 79 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [0,0,0,0,0,0|2,0,2]=4 81 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [0,0,0,0,0,0|2,0,2]=4 82 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [0,0,0,0,0,0|2,0,1]=3 83 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [0,0,0,0,0,0|1,0,2]=3 84 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [0,0,0,0,0,0|2,0,1]=3 85 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [0,0,0,0,0,0|2,0,1]=3 86 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [0,0,0,0,0,0|1,0,2]=3 87 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [0,0,0,0,0,0|1,0,2]=3 88 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [0,0,0,0,0,0|2,0,1]=3 89 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [0,0,0,0,0,0|1,0,2]=3 90 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS10566 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS70284 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [0,0,0,0,0,0|2,0,0]=2 93 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [0,0,0,0,0,0|1,0,2]=3 94 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [0,0,0,0,0,0|1,0,2]=3 95 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [0,0,0,0,0,0|2,0,1]=3 96 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [0,0,0,0,0,0|1,0,2]=3 97 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [0,0,0,0,0,0|1,0,3]=4 98 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [0,0,0,0,0,0|1,0,2]=3 99 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [0,0,0,0,0,0|1,0,2]=3 100 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [0,0,0,0,0,0|2,0,1]=3 101 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [0,0,0,0,0,0|1,0,2]=3 102 B10R1.15 c1ccnc(c1)C(=NO)N TS06176 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [0,0,0,0,0,0|2,0,0]=2 104 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [0,0,0,0,0,0|2,0,0]=2 105 B10R1.15 c1ccnc(c1)C(=O)NN TS06175 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.15 c1cnc(cn1)C(=O)CBr TS08470 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.15 c1cnc(cn1)C(=O)NN TS37166 [0,0,0,0,0,0|4,0,0]=4 108 B10R1.15 c1cnccc1C(=NO)N TS77169 [0,0,0,0,0,0|4,0,0]=4 109 B10R1.15 c1cnccc1C(=O)CBr TS16896 [0,0,0,0,0,0|2,0,0]=2 110 B10R1.15 c1cnccc1C(=O)NN TS06172 [0,0,0,0,0,0|3,0,0]=3 111 B10R1.15 c1cnccc1C(CN)O TS43948 [0,0,0,0,0,0|2,0,2]=4 112 B10R1.15 c1cncnc1C(=O)NN TS37167 [0,0,0,0,0,0|4,0,0]=4 113 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.6 B(c1ccccc1)(O)O TS59339 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.6 C=C(c1ccccc1)Br TS48375 [1,0,0,0,0,0|1,0,1]=3 116 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [1,0,0,0,0,0|1,0,1]=3 117 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,0,0,0,0,0|0,0,0]=1 119 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,0,0,0,0,0|0,0,0]=1 120 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,0,0,0,0,0|0,0,0]=1 121 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,0,0,0,0,0|0,0,0]=1 122 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,0,0,0,0,0|1,0,0]=2 123 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,0,0,0,0,0|1,0,0]=2 124 B9R1.6 CC(=O)c1cccnn1 TS87133 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,0,0,0,0,0|1,0,0]=2 126 B9R1.6 CC(=O)c1ccncn1 TS87400 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.6 CC(=O)c1ccnnc1 TS89714 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.6 CC(=O)c1cnccn1 TS55718 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.6 CC(=O)c1cncnc1 TS46735 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.6 CC(=O)c1ncccn1 TS91588 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.6 CC(C)c1ccccn1 TS32479 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.6 CC(C)c1ccccn1 TS49188 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.6 CC(C)c1ccncc1 TS09132 [1,0,0,0,0,0|2,0,1]=4 134 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,0,0,0,0,0|1,0,1]=3 135 B9R1.6 CC(c1ccccc1)N TS55879 [1,0,0,0,0,0|1,0,1]=3 136 B9R1.6 CC(c1ccccc1)O TS04908 [1,0,0,0,0,0|0,0,2]=3 137 B9R1.6 CC(c1ccccn1)N TS47025 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.6 CC(c1ccccn1)N TS59503 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.6 CC(c1ccccn1)O TS08930 [1,0,0,0,0,0|1,0,2]=4 140 B9R1.6 CC(c1cccnc1)N TS59573 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.6 CC(c1ccncc1)N TS51965 [1,0,0,0,0,0|2,0,1]=4 142 B9R1.6 CC(c1ccncc1)N TS59574 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.6 CN(C)c1ccccc1 TS56353 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.6 CN(C)c1ccccn1 TS04916 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.6 CN(C)c1cccnc1 TS32521 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.6 CN(C)c1ccncc1 TS71094 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.6 CN(C)c1ccncc1 TS79663 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.6 CN(C)c1ccncc1 TS93097 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.6 CN(c1ccccc1)N TS46980 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.6 CP(C)c1ccccc1 TS37178 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.6 CP(C)c1ccccc1 TS75399 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,0,0,0,0,0|1,0,1]=3 154 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,0,0,0,0,0|0,0,2]=3 155 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,0,0,0,0,0|1,0,2]=4 156 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,0,0,0,0,0|1,0,2]=4 157 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [1,0,0,0,0,0|1,0,2]=4 158 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,0,0,0,0,0|1,0,1]=3 159 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,0,0,0,0,0|1,0,1]=3 160 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,0,0,0,0,0|0,0,2]=3 161 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,0,0,0,0,0|1,0,2]=4 162 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,0,0,0,0,0|1,0,2]=4 163 B9R1.6 C[C@H](c1ccncc1)O TS39982 [1,0,0,0,0,0|1,0,2]=4 164 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,0,0,0,0,0|1,1,0]=3 165 B9R1.6 c1c(cncn1)C(=O)O TS11330 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.6 c1c(cncn1)C(=O)O TS88781 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.6 c1c(cncn1)C(=O)[O-] TS40359 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [1,0,0,0,0,0|2,0,0]=3 175 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [1,0,0,0,0,0|2,1,0]=4 179 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.6 c1cc(cnc1)[N+](=O)[O-] TS05007 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,0,0,0,0,0|1,0,0]=2 186 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,0,0,0,0,0|1,0,0]=2 187 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,0,0,0,0,0|1,0,0]=2 188 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,0,0,0,0,0|1,0,0]=2 189 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,0,0,0,0,0|1,0,0]=2 190 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,0,0,0,0,0|1,0,0]=2 191 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,0,0,0,0,0|1,0,0]=2 192 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,0,0,0,0,0|1,0,0]=2 193 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,0,0,0,0,0|1,0,0]=2 194 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,0,0,0,0,0|1,0,0]=2 195 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,0,0,0,0,0|1,0,0]=2 196 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,0,0,0,0,0|1,0,0]=2 197 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,0,0,0,0,0|1,0,0]=2 198 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,0,0,0,0,0|1,0,0]=2 199 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,0,0,0,0,0|1,1,0]=3 200 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,0,0,0,0,0|1,0,1]=3 201 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [1,0,0,0,0,0|2,0,1]=4 202 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [1,0,0,0,0,0|2,0,0]=3 204 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,0,0,0,0,0|2,0,0]=3 206 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [1,0,0,0,0,0|2,0,0]=3 207 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [1,0,0,0,0,0|2,0,0]=3 210 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [1,0,0,0,0,0|2,0,0]=3 211 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [1,0,0,0,0,0|2,1,0]=4 213 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [1,0,0,0,0,0|3,0,0]=4 214 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [1,0,0,0,0,0|2,1,0]=4 223 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.6 c1cnccc1C(=N)N TS01862 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.6 c1cnccc1C(=O)Cl TS46358 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.6 c1cnccc1C(=O)N TS74511 [1,0,0,0,0,0|2,0,0]=3 229 B9R1.6 c1cnccc1C(=O)O TS01508 [1,0,0,0,0,0|2,0,0]=3 230 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [1,0,0,0,0,0|2,0,0]=3 231 B9R1.6 c1cnccc1C(=S)N TS06294 [1,0,0,0,0,0|2,1,0]=4 232 B9R1.6 c1cnccc1[N+](=O)[O-] TS05008 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.6 c1cncnc1C(=O)O TS90236 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.6 c1cnncc1C(=O)O TS59368 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.8 C#CCc1ccccc1 TS32230 [1,0,0,0,0,0|0,0,3]=4 236 B9R1.8 C=CCc1ccccc1 TS32347 [1,0,0,0,0,0|0,0,3]=4 237 B9R1.8 C=CSc1ccccc1 TS06113 [1,0,0,0,0,0|1,0,2]=4 238 B9R1.8 CC#Cc1ccccc1 TS04599 [1,0,0,0,0,0|0,0,2]=3 239 B9R1.8 CC=Cc1ccccc1 TS32346 [1,0,0,0,0,0|0,0,1]=2 240 B9R1.8 CCC[n+]1ccccc1 TS38202 [1,0,0,0,0,0|1,0,1]=3 241 B9R1.8 CCCc1ccccc1 TS04832 [1,0,0,0,0,0|0,0,1]=2 242 B9R1.8 CCCc1ccccn1 TS85359 [1,0,0,0,0,0|1,0,1]=3 243 B9R1.8 CCCc1cnccn1 TS59984 [1,0,0,0,0,0|2,0,1]=4 244 B9R1.8 CCNc1ccccc1 TS04869 [1,0,0,0,0,0|1,0,0]=2 245 B9R1.8 CCOc1ccccc1 TS04896 [1,0,0,0,0,0|1,0,0]=2 246 B9R1.8 CCOc1ccccn1 TS55309 [1,0,0,0,0,0|2,0,0]=3 247 B9R1.8 CCOc1ccncc1 TS04974 [1,0,0,0,0,0|2,0,0]=3 248 B9R1.8 CCOc1cnccn1 TS05010 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.8 CCSc1ccccc1 TS06299 [1,0,0,0,0,0|1,0,0]=2 250 B9R1.8 CNCc1ccccc1 TS01938 [1,0,0,0,0,0|1,0,1]=3 251 B9R1.8 CNCc1ccccn1 TS51966 [1,0,0,0,0,0|2,0,1]=4 252 B9R1.8 CNCc1cccnc1 TS02609 [1,0,0,0,0,0|2,0,1]=4 253 B9R1.8 CNCc1ccncc1 TS65238 [1,0,0,0,0,0|2,0,1]=4 254 B9R1.8 CNNc1ccccc1 TS85406 [1,0,0,0,0,0|2,0,0]=3 255 B9R1.8 COCc1ccccc1 TS04897 [1,0,0,0,0,0|1,0,1]=3 256 B9R1.8 COCc1ccccn1 TS00518 [1,0,0,0,0,0|2,0,1]=4 257 B9R1.8 CSCc1ccccc1 TS06309 [1,0,0,0,0,0|1,0,1]=3 258 B9R1.8 CSSc1ccccc1 TS41708 [1,0,0,0,0,0|2,0,0]=3 259 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [1,0,0,0,0,0|1,0,2]=4 260 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [1,0,0,0,0,0|1,0,2]=4 261 B9R1.8 c1cc(cnc1)C=NO TS32495 [1,0,0,0,0,0|3,0,0]=4 262 B9R1.8 c1cc(cnc1)CCN TS41995 [1,0,0,0,0,0|2,0,1]=4 263 B9R1.8 c1cc(cnc1)CCN TS65667 [1,0,0,0,0,0|2,0,1]=4 264 B9R1.8 c1cc(cnc1)CCO TS39614 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.8 c1ccc(cc1)C#CBr TS48021 [1,0,0,0,0,0|1,0,2]=4 266 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,0,0,0,0,0|1,0,1]=3 267 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,0,0,0,0,0|1,0,1]=3 268 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,0,0,0,0,0|1,0,1]=3 269 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,0,0,0,0,0|2,0,0]=3 270 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,0,0,0,0,0|2,0,0]=3 271 B9R1.8 c1ccc(cc1)CC#N TS04678 [1,0,0,0,0,0|1,0,2]=4 272 B9R1.8 c1ccc(cc1)CCBr TS15419 [1,0,0,0,0,0|1,0,1]=3 273 B9R1.8 c1ccc(cc1)CCCl TS37454 [1,0,0,0,0,0|1,0,1]=3 274 B9R1.8 c1ccc(cc1)CCI TS25156 [1,0,0,0,0,0|1,0,1]=3 275 B9R1.8 c1ccc(cc1)CCN TS22602 [1,0,0,0,0,0|1,0,1]=3 276 B9R1.8 c1ccc(cc1)CCN TS65627 [1,0,0,0,0,0|1,0,1]=3 277 B9R1.8 c1ccc(cc1)CCO TS04901 [1,0,0,0,0,0|1,0,1]=3 278 B9R1.8 c1ccc(cc1)CCS TS06307 [1,0,0,0,0,0|1,0,1]=3 279 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [1,0,0,0,0,0|1,0,1]=3 280 B9R1.8 c1ccc(cc1)CNN TS09177 [1,0,0,0,0,0|2,0,1]=4 281 B9R1.8 c1ccc(cc1)CNN TS21284 [1,0,0,0,0,0|2,0,1]=4 282 B9R1.8 c1ccc(cc1)CNO TS01934 [1,0,0,0,0,0|2,0,1]=4 283 B9R1.8 c1ccc(cc1)CNO TS93618 [1,0,0,0,0,0|2,0,1]=4 284 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [1,0,0,0,0,0|2,0,1]=4 285 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [1,0,0,0,0,0|2,0,1]=4 286 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,0,0,0,0,0|2,0,1]=4 287 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,0,0,0,0,0|2,0,1]=4 288 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,0,0,0,0,0|2,0,1]=4 290 B9R1.8 c1ccc(cc1)OC#N TS32392 [1,0,0,0,0,0|2,0,1]=4 291 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,0,0,0,0,0|2,0,1]=4 292 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,0,0,0,0,0|2,0,0]=3 293 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [1,0,0,0,0,0|2,0,1]=4 294 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [1,0,0,0,0,0|1,1,0]=3 295 B9R1.8 c1ccnc(c1)C=NO TS53320 [1,0,0,0,0,0|3,0,0]=4 296 B9R1.8 c1ccnc(c1)C=NO TS94195 [1,0,0,0,0,0|3,0,0]=4 297 B9R1.8 c1ccnc(c1)CCCl TS37532 [1,0,0,0,0,0|2,0,1]=4 298 B9R1.8 c1ccnc(c1)CCN TS04914 [1,0,0,0,0,0|2,0,1]=4 299 B9R1.8 c1ccnc(c1)CCN TS17997 [1,0,0,0,0,0|2,0,1]=4 300 B9R1.8 c1ccnc(c1)CCO TS04967 [1,0,0,0,0,0|2,0,1]=4 301 B9R1.8 c1cnccc1C=NO TS59376 [1,0,0,0,0,0|3,0,0]=4 302 B9R1.8 c1cnccc1CCN TS09522 [1,0,0,0,0,0|2,0,1]=4 303 B9R1.8 c1cnccc1CCO TS70737 [1,0,0,0,0,0|2,0,1]=4 304 B9R1.8 c1cnccc1CCS TS06395 [1,0,0,0,0,0|2,0,1]=4 305 B9R1.8 c1cnccc1CCS TS46022 [1,0,0,0,0,0|2,0,1]=4 306 B11R1.7 C=CS(=O)(=O)c1ccccc1 TS29499 [0,1,0,0,0,0|1,0,2]=4 307 B11R1.7 CC(C)(CCl)c1ccccc1 TS12631 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.7 CC(CN)(c1ccccc1)O TS10067 [0,1,0,0,0,0|1,0,2]=4 309 B11R1.7 CC(CO)(c1ccccc1)O TS10181 [0,1,0,0,0,0|1,0,2]=4 310 B11R1.7 CCC(C)(C)c1ccccc1 TS07501 [0,1,0,0,0,0|1,0,1]=3 311 B11R1.7 CCC(C)(c1ccccc1)O TS09915 [0,1,0,0,0,0|0,0,2]=3 312 B11R1.7 CCS(=O)(=O)c1ccccc1 TS12825 [0,1,0,0,0,0|1,0,0]=2 313 B11R1.7 CC[Si](c1ccccc1)(Cl)Cl TS19932 [0,1,0,0,0,0|1,1,0]=3 314 B11R1.7 CNS(=O)(=O)c1ccccc1 TS45325 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.7 COP(=O)(C)c1ccccc1 TS45092 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.7 COS(=O)(=O)c1ccccc1 TS39807 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.7 C[Si](C)(CCl)c1ccccc1 TS15403 [0,1,0,0,0,0|2,1,0]=4 318 B11R1.7 c1ccc(cc1)C(CBr)(F)F TS23230 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.7 c1ccc(cc1)P(=O)(CO)O TS45409 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.7 c1ccc(cc1)S(=O)(=O)CBr TS56616 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.7 c1ccc(cc1)S(=O)(=O)CCl TS51203 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.7 c1ccc(cc1)S(=O)(=O)CF TS13474 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.7 c1ccc(cc1)S(=O)(=O)NN TS45466 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.7 c1ccc(cc1)S(=O)(=O)NO TS45614 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.12 B(CC)(CC)c1cccnc1 TS40488 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.12 CCC(=CC)c1ccccc1 TS40463 [0,1,0,0,0,0|1,0,0]=2 327 B11R1.12 CCC(C#N)c1ccccc1 TS07127 [0,1,0,0,0,0|1,0,1]=3 328 B11R1.12 CCC(C#N)c1ccccn1 TS40446 [0,1,0,0,0,0|2,0,1]=4 329 B11R1.12 CCC(C=C)c1ccccc1 TS40461 [0,1,0,0,0,0|1,0,1]=3 330 B11R1.12 CCC(CC)c1ccccc1 TS07502 [0,1,0,0,0,0|1,0,1]=3 331 B11R1.12 CCC(CC)c1ccccn1 TS40770 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.12 CCC(CC)c1ccncc1 TS07595 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.12 CCN(CC)c1ccccc1 TS07596 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.12 CCN(CC)c1ccccc1 TS11655 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.12 CCN(CC)c1ccccc1 TS15545 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.12 CCN(CC)c1ccccn1 TS09932 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.12 CCN(c1ccccc1)N=O TS09879 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.12 CCP(CC)c1ccccc1 TS43095 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.12 COC(c1ccccc1)OC TS33210 [0,1,0,0,0,0|1,0,2]=4 340 B11R1.12 COP(c1ccccc1)OC TS45093 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.12 CO[C@@H](CO)c1ccccc1 TS41139 [0,1,0,0,0,0|1,0,2]=4 342 B11R1.12 CO[C@H](CO)c1ccccc1 TS10190 [0,1,0,0,0,0|1,0,2]=4 343 B11R1.12 c1ccc(cc1)C(=CO)C#N TS07085 [0,1,0,0,0,0|1,0,2]=4 344 B11R1.12 c1ccc(cc1)C(=CO)C=O TS07413 [0,1,0,0,0,0|1,0,1]=3 345 B11R1.12 c1ccc(cc1)C(=NO)C#N TS07203 [0,1,0,0,0,0|1,0,2]=4 346 B11R1.12 c1ccc(cc1)C(=NO)CBr TS44450 [0,1,0,0,0,0|1,0,1]=3 347 B11R1.12 c1ccc(cc1)C(CO)CO TS39683 [0,1,0,0,0,0|1,0,2]=4 348 B11R1.12 c1ccc(cc1)N(C=O)C#N TS40402 [0,1,0,0,0,0|2,0,1]=4 349 B11R1.16 C#CCC(c1ccccc1)O TS07216 [0,1,0,0,0,0|0,0,3]=4 350 B11R1.16 C=CCC(c1ccccc1)O TS07476 [0,1,0,0,0,0|0,0,3]=4 351 B11R1.16 C=CCS(=O)c1ccccc1 TS12278 [0,1,0,0,0,0|1,0,1]=3 352 B11R1.16 C=COC(=O)c1ccccc1 TS07417 [0,1,0,0,0,0|0,0,2]=3 353 B11R1.16 CC(=CCO)c1ccccc1 TS07480 [0,1,0,0,0,0|1,0,1]=3 354 B11R1.16 CC(CC=O)c1ccccc1 TS40655 [0,1,0,0,0,0|1,0,2]=4 355 B11R1.16 CC(CCO)c1ccccc1 TS40913 [0,1,0,0,0,0|1,0,1]=3 356 B11R1.16 CC(CNC)c1ccccc1 TS15544 [0,1,0,0,0,0|1,0,1]=3 357 B11R1.16 CC=CC(=O)c1ccccc1 TS07230 [0,1,0,0,0,0|0,0,1]=2 358 B11R1.16 CC=CC(c1ccccc1)O TS07464 [0,1,0,0,0,0|0,0,3]=4 359 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.16 CCCC(=C)c1ccccc1 TS40460 [0,1,0,0,0,0|1,0,0]=2 361 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [0,1,0,0,0,0|0,0,0]=1 362 B11R1.16 CCCC(=O)c1ccccn1 TS07574 [0,1,0,0,0,0|1,0,0]=2 363 B11R1.16 CCCC(C)c1ccccc1 TS40687 [0,1,0,0,0,0|1,0,1]=3 364 B11R1.16 CCCC(c1ccccc1)N TS08991 [0,1,0,0,0,0|1,0,1]=3 365 B11R1.16 CCCC(c1ccccc1)O TS40897 [0,1,0,0,0,0|0,0,2]=3 366 B11R1.16 CCC[C@@H](c1ccccc1)N TS07598 [0,1,0,0,0,0|1,0,1]=3 367 B11R1.16 CCC[C@@H](c1ccccc1)O TS40898 [0,1,0,0,0,0|0,0,2]=3 368 B11R1.16 CCC[C@H](c1ccccc1)N TS07603 [0,1,0,0,0,0|1,0,1]=3 369 B11R1.16 CCC[C@H](c1ccccc1)O TS40914 [0,1,0,0,0,0|0,0,2]=3 370 B11R1.16 CCNC(=O)c1ccccc1 TS07570 [0,1,0,0,0,0|0,0,0]=1 371 B11R1.16 CCNC(=O)c1cccnc1 TS40872 [0,1,0,0,0,0|1,0,0]=2 372 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [0,1,0,0,0,0|1,0,0]=2 373 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [0,1,0,0,0,0|0,0,0]=1 374 B11R1.16 CCOC(=O)c1ccccn1 TS08499 [0,1,0,0,0,0|1,0,0]=2 375 B11R1.16 CCOC(=O)c1cccnc1 TS41007 [0,1,0,0,0,0|1,0,0]=2 376 B11R1.16 CCOC(=O)c1ccncc1 TS01460 [0,1,0,0,0,0|1,0,0]=2 377 B11R1.16 CCOC(=O)c1ccncn1 TS55949 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.16 CCOC(=O)c1cnccn1 TS41125 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.16 CN(CC=C)c1ccccc1 TS40564 [0,1,0,0,0,0|2,0,1]=4 380 B11R1.16 CN(CCO)c1ccccc1 TS41045 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.16 CN(CCO)c1ccccn1 TS41163 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [0,1,0,0,0,0|0,0,0]=1 383 B11R1.16 CNCC(c1ccccc1)O TS41049 [0,1,0,0,0,0|0,0,2]=3 384 B11R1.16 COCC(=O)c1ccccc1 TS09863 [0,1,0,0,0,0|0,0,0]=1 385 B11R1.16 COC[C@@H](c1ccccc1)N TS41043 [0,1,0,0,0,0|1,0,1]=3 386 B11R1.16 COC[C@H](c1ccccc1)N TS10083 [0,1,0,0,0,0|1,0,1]=3 387 B11R1.16 c1cc(cnc1)C(=O)CC#N TS70697 [0,1,0,0,0,0|1,0,1]=3 388 B11R1.16 c1cc(cnc1)C(=O)N=[N+]=[N-] TS40606 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.16 c1cc(cnc1)C(=O)NCO TS41113 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.16 c1ccc(cc1)C(=CC#N)Cl TS11769 [0,1,0,0,0,0|1,0,2]=4 391 B11R1.16 c1ccc(cc1)C(=O)C=NO TS40717 [0,1,0,0,0,0|1,0,1]=3 392 B11R1.16 c1ccc(cc1)C(=O)C=[N+]=[N-] TS40403 [0,1,0,0,0,0|1,0,1]=3 393 B11R1.16 c1ccc(cc1)C(=O)CC#N TS39724 [0,1,0,0,0,0|0,0,1]=2 394 B11R1.16 c1ccc(cc1)C(=O)CCCl TS12618 [0,1,0,0,0,0|0,0,0]=1 395 B11R1.16 c1ccc(cc1)C(=O)N=C=O TS07295 [0,1,0,0,0,0|1,0,1]=3 396 B11R1.16 c1ccc(cc1)C(=O)N=C=S TS01371 [0,1,0,0,0,0|1,0,1]=3 397 B11R1.16 c1ccc(cc1)C(=O)NCO TS41014 [0,1,0,0,0,0|1,0,0]=2 398 B11R1.16 c1ccc(cc1)C(=O)OCCl TS12930 [0,1,0,0,0,0|1,0,0]=2 399 B11R1.16 c1ccc(cc1)C(=O)SCO TS44889 [0,1,0,0,0,0|1,0,0]=2 400 B11R1.16 c1ccc(cc1)C(CC#N)O TS07335 [0,1,0,0,0,0|0,0,3]=4 401 B11R1.16 c1ccc(cc1)C(CCN)O TS41050 [0,1,0,0,0,0|0,0,2]=3 402 B11R1.16 c1ccc(cc1)C(CCN)O TS50639 [0,1,0,0,0,0|0,0,2]=3 403 B11R1.16 c1ccc(cc1)C(CCO)N TS65845 [0,1,0,0,0,0|1,0,1]=3 404 B11R1.16 c1ccc(cc1)S(=O)CCCl TS16096 [0,1,0,0,0,0|1,0,0]=2 405 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O TS46584 [0,1,0,0,0,0|0,0,2]=3 406 B11R1.16 c1ccc(cc1)[C@@H](CCN)O TS10084 [0,1,0,0,0,0|0,0,2]=3 407 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS15881 [0,1,0,0,0,0|1,0,1]=3 408 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS46603 [0,1,0,0,0,0|1,0,1]=3 409 B11R1.16 c1ccc(cc1)[C@@H](CCO)O TS10187 [0,1,0,0,0,0|0,0,2]=3 410 B11R1.16 c1ccc(cc1)[C@H](CCCl)O TS46624 [0,1,0,0,0,0|0,0,2]=3 411 B11R1.16 c1ccc(cc1)[C@H](CCN)O TS10069 [0,1,0,0,0,0|0,0,2]=3 412 B11R1.16 c1ccc(cc1)[C@H](CCO)N TS46656 [0,1,0,0,0,0|1,0,1]=3 413 B11R1.16 c1ccc(cc1)[C@H](CCO)O TS41135 [0,1,0,0,0,0|0,0,2]=3 414 B11R1.16 c1ccnc(c1)C(=O)CC#N TS40401 [0,1,0,0,0,0|1,0,1]=3 415 B11R1.16 c1cnccc1C(=O)CC#N TS70698 [0,1,0,0,0,0|1,0,1]=3 416 B11R1.22 CC(=NO)c1ccc(cc1)Cl TS12722 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.22 CC(=NO)c1ccc(cc1)F TS10313 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [0,1,0,0,0,0|0,0,0]=1 419 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,1,0,0,0,0|0,0,0]=1 420 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,1,0,0,0,0|0,0,0]=1 421 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [0,1,0,0,0,0|0,0,0]=1 422 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [0,1,0,0,0,0|0,0,0]=1 423 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [0,1,0,0,0,0|0,0,0]=1 424 B11R1.22 CCC(C)c1ccc(cc1)Br TS44299 [0,1,0,0,0,0|1,0,1]=3 425 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [0,1,0,0,0,0|1,0,1]=3 426 B11R1.22 CCN(c1ccc(cc1)C)N TS09946 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [0,1,0,0,0,0|1,0,0]=2 428 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [0,1,0,0,0,0|1,0,0]=2 431 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [0,1,0,0,0,0|1,0,0]=2 432 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [0,1,0,0,0,0|1,0,0]=2 434 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [0,1,0,0,0,0|1,0,0]=2 435 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [0,1,0,0,0,0|1,0,0]=2 436 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [0,1,0,0,0,0|1,0,0]=2 437 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [0,1,0,0,0,0|1,0,0]=2 438 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [0,1,0,0,0,0|1,0,0]=2 439 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.22 COC(=O)c1ccc(nn1)Cl TS16595 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.22 COC(=O)c1ccc(nn1)N TS91351 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.22 COC(=O)c1ccc(nn1)O TS86427 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.22 COC(=O)c1ccn(=O)cc1 TS41255 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.22 COC(=O)c1cnc(cn1)Cl TS03262 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.22 COC(=O)c1cnc(cn1)Cl TS91500 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.22 COC(=O)c1cnc(cn1)O TS16585 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.22 COC(=O)c1cnc(nc1)Cl TS87390 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.22 COC(=O)c1cnc(nc1)N TS89966 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.22 COC(=O)c1ncc(cn1)Br TS89654 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.22 COC(=O)c1ncc(cn1)N TS85632 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.22 COC(=O)c1ncc(cn1)N TS92309 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.22 COS(=O)c1ccc(cc1)Cl TS51207 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.22 C[C@@H](c1ccc(cc1)F)NC TS10333 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.22 C[C@H](c1ccc(cc1)F)NC TS10331 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [0,1,0,0,0,0|1,0,1]=3 465 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [0,1,0,0,0,0|1,0,1]=3 466 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [0,1,0,0,0,0|1,0,0]=2 467 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [0,1,0,0,0,0|1,0,0]=2 468 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,1,0,0,0,0|1,0,0]=2 469 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,1,0,0,0,0|1,0,0]=2 470 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,1,0,0,0,0|1,0,0]=2 471 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [0,1,0,0,0,0|1,0,0]=2 472 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,1,0,0,0,0|2,0,0]=3 473 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [0,1,0,0,0,0|1,0,0]=2 475 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.22 Cc1cnc(cn1)C(=O)OC TS16587 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.22 Cc1cnc(nc1)C(=O)OC TS90131 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.22 Cc1ncc(cn1)C(=O)OC TS85722 [0,1,0,0,0,0|3,0,0]=4 480 B11R1.22 c1cc(=O)[nH]cc1C(=O)NN TS10296 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.22 c1cc(ccc1C(=N)NO)F TS41354 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.22 c1cc(ccc1C(=NO)Cl)F TS13400 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.22 c1cc(ccc1C(=NO)N)Cl TS22841 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.22 c1cc(ccc1C(=NO)N)F TS10396 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.22 c1cc(ccc1C(=NO)N)N TS41020 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.22 c1cc(ccc1C(=NO)N)O TS41106 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.22 c1cc(ccc1C(=O)C#N)Br TS43721 [0,1,0,0,0,0|1,0,1]=3 488 B11R1.22 c1cc(ccc1C(=O)C#N)Cl TS42963 [0,1,0,0,0,0|1,0,1]=3 489 B11R1.22 c1cc(ccc1C(=O)C#N)F TS59853 [0,1,0,0,0,0|1,0,1]=3 490 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [0,1,0,0,0,0|1,0,1]=3 491 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [0,1,0,0,0,0|1,0,1]=3 492 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [0,1,0,0,0,0|1,0,1]=3 493 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [0,1,0,0,0,0|1,0,1]=3 494 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [0,1,0,0,0,0|1,0,1]=3 495 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [0,1,0,0,0,0|1,0,0]=2 496 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [0,1,0,0,0,0|1,0,0]=2 497 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [0,1,0,0,0,0|1,0,0]=2 498 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [0,1,0,0,0,0|1,0,0]=2 499 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [0,1,0,0,0,0|1,0,0]=2 500 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [0,1,0,0,0,0|1,0,0]=2 501 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [0,1,0,0,0,0|1,0,0]=2 502 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [0,1,0,0,0,0|1,0,0]=2 503 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [0,1,0,0,0,0|1,0,0]=2 504 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [0,1,0,0,0,0|1,0,0]=2 505 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [0,1,0,0,0,0|1,0,0]=2 506 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [0,1,0,0,0,0|1,0,0]=2 507 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [0,1,0,0,0,0|1,0,0]=2 508 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [0,1,0,0,0,0|1,0,0]=2 509 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [0,1,0,0,0,0|1,0,0]=2 510 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [0,1,0,0,0,0|2,0,0]=3 511 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [0,1,0,0,0,0|2,0,0]=3 512 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.22 c1cc(ccc1C(=O)NO)O TS10287 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.22 c1cc(ccc1C(CBr)Br)F TS34375 [0,1,0,0,0,0|2,0,1]=4 517 B11R1.22 c1cc(ccc1C(CCl)O)Cl TS51233 [0,1,0,0,0,0|1,0,2]=4 518 B11R1.22 c1cc(ccc1C(CN)O)Br TS28392 [0,1,0,0,0,0|1,0,2]=4 519 B11R1.22 c1cc(ccc1C(CN)O)Cl TS43395 [0,1,0,0,0,0|1,0,2]=4 520 B11R1.22 c1cc(ccc1C(CN)O)F TS51366 [0,1,0,0,0,0|1,0,2]=4 521 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [0,1,0,0,0,0|1,0,2]=4 522 B11R1.22 c1cc(ccc1C(CO)Cl)Cl TS51225 [0,1,0,0,0,0|2,0,1]=4 523 B11R1.22 c1cc(ccc1[C@@H](CCl)O)F TS13596 [0,1,0,0,0,0|1,0,2]=4 524 B11R1.22 c1cc(ccc1[C@H](CCl)O)F TS13604 [0,1,0,0,0,0|1,0,2]=4 525 B11R1.22 c1cc(ncc1C(=O)NN)Cl TS02149 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.22 c1cc(ncc1C(=O)NN)N TS10160 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [0,1,0,0,0,0|0,0,0]=1 528 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [0,1,0,0,0,0|0,0,0]=1 529 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [0,1,0,0,0,0|0,0,0]=1 530 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [0,1,0,0,0,0|0,0,0]=1 531 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [0,1,0,0,0,0|0,0,0]=1 532 B11R1.23 CCN(c1cccc(c1)C)N TS09936 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.23 CC[C@@H](c1cccc(c1)Cl)N TS45063 [0,1,0,0,0,0|1,0,1]=3 534 B11R1.23 CNC(=O)c1cc(ccn1)Cl TS85370 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.23 CNC(=O)c1cccc(c1)N TS02663 [0,1,0,0,0,0|1,0,0]=2 536 B11R1.23 CNC(=O)c1ccnc(c1)Br TS44645 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.23 COC(=O)c1cc(ccn1)Br TS56287 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56293 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56295 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.23 COC(=O)c1cc(ccn1)F TS09129 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.23 COC(=O)c1cc(ccn1)I TS68677 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.23 COC(=O)c1cc(cnc1)Br TS44779 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.23 COC(=O)c1cc(cnc1)Br TS85527 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.23 COC(=O)c1cc(cnc1)F TS86193 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.23 COC(=O)c1cc(cnc1)N TS56298 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.23 COC(=O)c1cc(cnc1)O TS59798 [0,1,0,0,0,0|2,0,0]=3 547 B11R1.23 COC(=O)c1cc(nnc1)Cl TS90959 [0,1,0,0,0,0|3,0,0]=4 548 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 TS41248 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.23 COC(=O)c1cccc(c1)Br TS56266 [0,1,0,0,0,0|1,0,0]=2 550 B11R1.23 COC(=O)c1cccc(c1)Cl TS12918 [0,1,0,0,0,0|1,0,0]=2 551 B11R1.23 COC(=O)c1cccc(c1)F TS41351 [0,1,0,0,0,0|1,0,0]=2 552 B11R1.23 COC(=O)c1cccc(c1)I TS70627 [0,1,0,0,0,0|1,0,0]=2 553 B11R1.23 COC(=O)c1cccc(c1)N TS10028 [0,1,0,0,0,0|1,0,0]=2 554 B11R1.23 COC(=O)c1cccc(c1)O TS10128 [0,1,0,0,0,0|1,0,0]=2 555 B11R1.23 COC(=O)c1cccc(n1)Br TS16475 [0,1,0,0,0,0|2,0,0]=3 556 B11R1.23 COC(=O)c1cccc(n1)Cl TS34580 [0,1,0,0,0,0|2,0,0]=3 557 B11R1.23 COC(=O)c1cccc(n1)F TS85361 [0,1,0,0,0,0|2,0,0]=3 558 B11R1.23 COC(=O)c1cccc(n1)I TS68680 [0,1,0,0,0,0|2,0,0]=3 559 B11R1.23 COC(=O)c1cccc(n1)N TS01210 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.23 COC(=O)c1ccnc(c1)Br TS00847 [0,1,0,0,0,0|2,0,0]=3 561 B11R1.23 COC(=O)c1ccnc(c1)Cl TS56251 [0,1,0,0,0,0|2,0,0]=3 562 B11R1.23 COC(=O)c1ccnc(c1)F TS32975 [0,1,0,0,0,0|2,0,0]=3 563 B11R1.23 COC(=O)c1ccnc(c1)I TS68679 [0,1,0,0,0,0|2,0,0]=3 564 B11R1.23 COC(=O)c1ccnc(c1)N TS10155 [0,1,0,0,0,0|2,0,0]=3 565 B11R1.23 COC(=O)c1ccnc(n1)Cl TS88958 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.23 COC(=O)c1cncc(n1)Cl TS16593 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.23 COC(=O)c1cncc(n1)N TS01211 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.23 COC(=O)c1nccc(n1)N TS56280 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.23 Cc1cc(cnc1)C(=O)OC TS02310 [0,1,0,0,0,0|2,0,0]=3 570 B11R1.23 Cc1cc(ncn1)C(=O)OC TS90103 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.23 Cc1cccc(c1)C(=NO)N TS09900 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.23 Cc1cccc(c1)C(=O)C#N TS07086 [0,1,0,0,0,0|1,0,1]=3 573 B11R1.23 Cc1cccc(c1)C(=O)NN TS40877 [0,1,0,0,0,0|2,0,0]=3 574 B11R1.23 Cc1cccc(c1)C(=O)OC TS09871 [0,1,0,0,0,0|1,0,0]=2 575 B11R1.23 Cc1cccc(c1)C(CN)O TS50638 [0,1,0,0,0,0|1,0,2]=4 576 B11R1.23 c1c(cncc1Br)C(=O)NN TS44783 [0,1,0,0,0,0|3,0,0]=4 577 B11R1.23 c1cc(cc(c1)Br)C(=O)C#N TS43720 [0,1,0,0,0,0|1,0,1]=3 578 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr TS47138 [0,1,0,0,0,0|1,0,0]=2 579 B11R1.23 c1cc(cc(c1)Br)C(=O)NN TS22887 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.23 c1cc(cc(c1)Br)C(CN)O TS28394 [0,1,0,0,0,0|1,0,2]=4 581 B11R1.23 c1cc(cc(c1)Cl)C(=N)NO TS45236 [0,1,0,0,0,0|3,0,0]=4 582 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N TS42965 [0,1,0,0,0,0|1,0,1]=3 583 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr TS00836 [0,1,0,0,0,0|1,0,0]=2 584 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl TS50852 [0,1,0,0,0,0|1,0,0]=2 585 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [0,1,0,0,0,0|1,0,0]=2 586 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN TS45241 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO TS02719 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.23 c1cc(cc(c1)Cl)C(CBr)O TS25796 [0,1,0,0,0,0|1,0,2]=4 589 B11R1.23 c1cc(cc(c1)Cl)C(CCl)O TS51228 [0,1,0,0,0,0|1,0,2]=4 590 B11R1.23 c1cc(cc(c1)Cl)C(CN)O TS43396 [0,1,0,0,0,0|1,0,2]=4 591 B11R1.23 c1cc(cc(c1)Cl)C(CO)Cl TS17228 [0,1,0,0,0,0|2,0,1]=4 592 B11R1.23 c1cc(cc(c1)Cl)[C@@H](CO)N TS93997 [0,1,0,0,0,0|2,0,1]=4 593 B11R1.23 c1cc(cc(c1)Cl)[C@H](CCl)O TS51236 [0,1,0,0,0,0|1,0,2]=4 594 B11R1.23 c1cc(cc(c1)Cl)[C@H](CN)O TS43393 [0,1,0,0,0,0|1,0,2]=4 595 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)N TS45378 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)O TS45562 [0,1,0,0,0,0|1,0,2]=4 597 B11R1.23 c1cc(cc(c1)F)C(=O)C#N TS40712 [0,1,0,0,0,0|1,0,1]=3 598 B11R1.23 c1cc(cc(c1)F)C(=O)CBr TS70599 [0,1,0,0,0,0|1,0,0]=2 599 B11R1.23 c1cc(cc(c1)F)C(=O)CCl TS09259 [0,1,0,0,0,0|1,0,0]=2 600 B11R1.23 c1cc(cc(c1)F)C(=O)NN TS10394 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.23 c1cc(cc(c1)F)C(CN)O TS51365 [0,1,0,0,0,0|1,0,2]=4 602 B11R1.23 c1cc(cc(c1)N)C(=O)CBr TS44452 [0,1,0,0,0,0|1,0,0]=2 603 B11R1.23 c1cc(cc(c1)N)C(=O)NN TS10046 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.23 c1cc(cc(c1)O)C(=O)CBr TS44634 [0,1,0,0,0,0|1,0,0]=2 605 B11R1.23 c1cc(cc(c1)O)C(=O)NN TS41112 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.23 c1cc(cc(c1)O)C(CN)O TS16253 [0,1,0,0,0,0|1,0,2]=4 607 B11R1.23 c1cc(cc(c1)O)C(CN)O TS41280 [0,1,0,0,0,0|1,0,2]=4 608 B11R1.23 c1cc(nc(c1)I)C(=O)NN TS29873 [0,1,0,0,0,0|3,0,0]=4 609 B11R1.23 c1cnc(cc1C(=O)CBr)Cl TS56563 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.23 c1cnc(cc1C(=O)NN)Cl TS13080 [0,1,0,0,0,0|3,0,0]=4 611 B11R1.23 c1cnc(cc1C(=O)NN)N TS10161 [0,1,0,0,0,0|3,0,0]=4 612 B11R1.23 c1cnc(cc1Cl)C(=O)NN TS13082 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.36 B(C(=C)c1ccccc1)(O)O TS07402 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.36 C=C(c1ccccc1)C(=O)O TS59983 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [0,1,0,0,0,0|0,0,3]=4 616 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [0,1,0,0,0,0|0,0,1]=2 617 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [0,1,0,0,0,0|1,0,2]=4 618 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [0,1,0,0,0,0|1,0,2]=4 619 B11R1.36 CC(C(=O)c1ccccc1)Br TS21451 [0,1,0,0,0,0|0,0,0]=1 620 B11R1.36 CC(C(=O)c1ccccc1)Cl TS00953 [0,1,0,0,0,0|0,0,0]=1 621 B11R1.36 CC(C)C(=O)c1ccccc1 TS07468 [0,1,0,0,0,0|0,0,0]=1 622 B11R1.36 CC(C)C(=O)c1ccccn1 TS07567 [0,1,0,0,0,0|1,0,0]=2 623 B11R1.36 CC(C)C(C)c1ccccc1 TS40688 [0,1,0,0,0,0|1,0,1]=3 624 B11R1.36 CC(C)C(c1ccccc1)N TS40783 [0,1,0,0,0,0|1,0,1]=3 625 B11R1.36 CC(C)C(c1ccccc1)O TS40912 [0,1,0,0,0,0|0,0,2]=3 626 B11R1.36 CC(C)[C@@H](c1ccccc1)O TS09919 [0,1,0,0,0,0|0,0,2]=3 627 B11R1.36 CC(C)[C@H](c1ccccc1)O TS09912 [0,1,0,0,0,0|0,0,2]=3 628 B11R1.36 CC(c1ccccc1)N(C)C TS07606 [0,1,0,0,0,0|2,0,1]=4 629 B11R1.36 CN(C)C(=O)c1ccccc1 TS40744 [0,1,0,0,0,0|1,0,0]=2 630 B11R1.36 CN(C)C(=O)c1cccnc1 TS09883 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.36 C[C@@H](c1ccccc1)N(C)C TS07604 [0,1,0,0,0,0|2,0,1]=4 632 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS10078 [0,1,0,0,0,0|0,0,2]=3 633 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50636 [0,1,0,0,0,0|0,0,2]=3 634 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50640 [0,1,0,0,0,0|0,0,2]=3 635 B11R1.36 C[C@H](c1ccccc1)N(C)C TS40779 [0,1,0,0,0,0|2,0,1]=4 636 B11R1.36 c1ccc(cc1)C(=C(F)Cl)F TS45863 [0,1,0,0,0,0|2,0,1]=4 637 B11R1.36 c1ccc(cc1)C(=C(F)F)F TS41858 [0,1,0,0,0,0|2,0,1]=4 638 B11R1.36 c1ccc(cc1)C(=O)C(=O)O TS07652 [0,1,0,0,0,0|1,0,1]=3 639 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl TS50848 [0,1,0,0,0,0|1,0,0]=2 640 B11R1.36 c1ccc(cc1)C(=O)C(F)F TS10655 [0,1,0,0,0,0|1,0,0]=2 641 B11R1.222 CC(=NO)c1ccccc1O TS10031 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.222 CCC(=O)c1ccccc1F TS01035 [0,1,0,0,0,0|0,0,0]=1 643 B11R1.222 CCC(=O)c1ccccc1O TS09859 [0,1,0,0,0,0|0,0,0]=1 644 B11R1.222 CCC(C)c1ccccc1N TS40776 [0,1,0,0,0,0|1,0,1]=3 645 B11R1.222 CCC(C)c1ccccc1O TS40906 [0,1,0,0,0,0|1,0,1]=3 646 B11R1.222 CNC(=O)c1ccccc1Br TS44448 [0,1,0,0,0,0|1,0,0]=2 647 B11R1.222 CNC(=O)c1ccccc1N TS00814 [0,1,0,0,0,0|1,0,0]=2 648 B11R1.222 CNC(=O)c1ccccc1O TS41017 [0,1,0,0,0,0|1,0,0]=2 649 B11R1.222 CNC(=O)c1cccnc1N TS10047 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.222 COC(=O)c1c(cccn1)Br TS86373 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.222 COC(=O)c1c(cccn1)Cl TS56271 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.222 COC(=O)c1c(cccn1)F TS02769 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.222 COC(=O)c1c(cccn1)N TS08576 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.222 COC(=O)c1c(cccn1)O TS02799 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.222 COC(=O)c1c(nccn1)Br TS87022 [0,1,0,0,0,0|3,0,0]=4 656 B11R1.222 COC(=O)c1c(nccn1)Cl TS16646 [0,1,0,0,0,0|3,0,0]=4 657 B11R1.222 COC(=O)c1c(nccn1)N TS08547 [0,1,0,0,0,0|3,0,0]=4 658 B11R1.222 COC(=O)c1c(nccn1)O TS41332 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.222 COC(=O)c1ccc[nH]c1=O TS56261 [0,1,0,0,0,0|2,0,0]=3 660 B11R1.222 COC(=O)c1ccccc1Br TS44643 [0,1,0,0,0,0|1,0,0]=2 661 B11R1.222 COC(=O)c1ccccc1Cl TS12913 [0,1,0,0,0,0|1,0,0]=2 662 B11R1.222 COC(=O)c1ccccc1F TS56255 [0,1,0,0,0,0|1,0,0]=2 663 B11R1.222 COC(=O)c1ccccc1I TS29742 [0,1,0,0,0,0|1,0,0]=2 664 B11R1.222 COC(=O)c1ccccc1N TS56313 [0,1,0,0,0,0|1,0,0]=2 665 B11R1.222 COC(=O)c1ccccc1O TS10129 [0,1,0,0,0,0|1,0,0]=2 666 B11R1.222 COC(=O)c1ccccc1S TS44891 [0,1,0,0,0,0|1,0,0]=2 667 B11R1.222 COC(=O)c1cccnc1Br TS59949 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.222 COC(=O)c1cccnc1Cl TS56252 [0,1,0,0,0,0|2,0,0]=3 669 B11R1.222 COC(=O)c1cccnc1F TS01029 [0,1,0,0,0,0|2,0,0]=3 670 B11R1.222 COC(=O)c1cccnc1N TS08546 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.222 COC(=O)c1cccnc1O TS41251 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.222 COC(=O)c1ccn[nH]c1=O TS89730 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.222 COC(=O)c1ccncc1Br TS86589 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.222 COC(=O)c1ccncc1I TS70635 [0,1,0,0,0,0|2,0,0]=3 675 B11R1.222 COC(=O)c1ccncc1N TS41123 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.222 COC(=O)c1ccncc1O TS41246 [0,1,0,0,0,0|2,0,0]=3 677 B11R1.222 COC(=O)c1ccnnc1N TS94860 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.222 COC(=O)c1cnccc1Cl TS09678 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.222 COC(=O)c1cnccc1N TS08595 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.222 COC(=O)c1cnccc1O TS16569 [0,1,0,0,0,0|2,0,0]=3 681 B11R1.222 Cc1c(cccn1)C(=O)OC TS56260 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.222 Cc1ccccc1C(=O)C#N TS07084 [0,1,0,0,0,0|1,0,1]=3 683 B11R1.222 Cc1ccccc1C(=O)NC TS40759 [0,1,0,0,0,0|1,0,0]=2 684 B11R1.222 Cc1ccccc1C(=O)NN TS40876 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.222 Cc1ccccc1C(=O)OC TS09866 [0,1,0,0,0,0|1,0,0]=2 686 B11R1.222 Cc1cccnc1C(=O)OC TS10019 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.222 Cc1ccncc1C(=O)OC TS16573 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.222 Cc1cnccc1C(=O)OC TS90300 [0,1,0,0,0,0|2,0,0]=3 689 B11R1.222 Cc1cnncc1C(=O)OC TS91909 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.222 c1cc(c(nc1)C(=O)CBr)O TS58699 [0,1,0,0,0,0|2,0,0]=3 691 B11R1.222 c1ccc(c(c1)C(=N)NO)Cl TS45232 [0,1,0,0,0,0|3,0,0]=4 692 B11R1.222 c1ccc(c(c1)C(=NO)N)N TS41025 [0,1,0,0,0,0|3,0,0]=4 693 B11R1.222 c1ccc(c(c1)C(=NO)N)O TS10149 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.222 c1ccc(c(c1)C(=O)C#N)Br TS43719 [0,1,0,0,0,0|1,0,1]=3 695 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl TS42962 [0,1,0,0,0,0|1,0,1]=3 696 B11R1.222 c1ccc(c(c1)C(=O)C#N)F TS40715 [0,1,0,0,0,0|1,0,1]=3 697 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br TS00854 [0,1,0,0,0,0|1,0,0]=2 698 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl TS08386 [0,1,0,0,0,0|1,0,0]=2 699 B11R1.222 c1ccc(c(c1)C(=O)CBr)F TS01031 [0,1,0,0,0,0|1,0,0]=2 700 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [0,1,0,0,0,0|1,0,0]=2 701 B11R1.222 c1ccc(c(c1)C(=O)CCl)N TS08140 [0,1,0,0,0,0|1,0,0]=2 702 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [0,1,0,0,0,0|1,0,0]=2 703 B11R1.222 c1ccc(c(c1)C(=O)NN)Br TS44649 [0,1,0,0,0,0|2,0,0]=3 704 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl TS45234 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.222 c1ccc(c(c1)C(=O)NN)F TS10393 [0,1,0,0,0,0|2,0,0]=3 706 B11R1.222 c1ccc(c(c1)C(=O)NN)I TS29743 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.222 c1ccc(c(c1)C(=O)NN)N TS41026 [0,1,0,0,0,0|2,0,0]=3 708 B11R1.222 c1ccc(c(c1)C(=O)NN)O TS41118 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.222 c1ccc(c(c1)C(=O)NO)N TS10147 [0,1,0,0,0,0|2,0,0]=3 710 B11R1.222 c1ccc(c(c1)C(=O)NO)O TS22737 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.222 c1ccc(c(c1)C(CN)O)Br TS28393 [0,1,0,0,0,0|1,0,2]=4 712 B11R1.222 c1ccc(c(c1)C(CN)O)Cl TS43394 [0,1,0,0,0,0|1,0,2]=4 713 B11R1.222 c1ccc(c(c1)C(CN)O)F TS51364 [0,1,0,0,0,0|1,0,2]=4 714 B11R1.222 c1ccc(c(c1)C(CN)O)I TS74551 [0,1,0,0,0,0|1,0,2]=4 715 B11R1.222 c1ccc(c(c1)C(CO)N)Cl TS45379 [0,1,0,0,0,0|2,0,1]=4 716 B9R0.46 COC(=O)CCC=CC=C TS37385 [0,0,1,0,0,0|1,0,2]=4 717 B11R2.1 CC1CNc2c1cccc2 TS05845 [0,0,0,1,0,0|2,0,1]=4 718 B11R2.1 CN1CCc2c1cccc2 TS36778 [0,0,0,1,0,0|2,0,0]=3 719 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [0,0,0,1,0,0|3,0,0]=4 720 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [0,0,0,1,0,0|3,0,0]=4 721 B11R2.1 Cc1c2ccccc2on1 TS36752 [0,0,0,1,0,0|3,0,0]=4 722 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [0,0,0,1,0,0|2,0,1]=4 723 B11R2.1 Cc1coc2c1cccc2 TS36667 [0,0,0,1,0,0|2,0,1]=4 724 B11R2.1 Cc1csc2c1cccc2 TS07495 [0,0,0,1,0,0|2,0,1]=4 725 B11R2.1 c1cc2c(nc1)C(=O)CC2 TS71343 [0,0,0,1,0,0|1,0,0]=2 726 B11R2.1 c1cc2c(nc1)C(CC2)O TS36915 [0,0,0,1,0,0|1,0,2]=4 727 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [0,0,0,1,0,0|1,0,0]=2 728 B11R2.1 c1cc2c(nc1)CCC2N TS59726 [0,0,0,1,0,0|2,0,1]=4 729 B11R2.1 c1cc2c(nc1)COC2=O TS05972 [0,0,0,1,0,0|2,0,0]=3 730 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,0,0,1,0,0|1,0,0]=2 731 B11R2.1 c1ccc2c(c1)C(CO2)N TS05988 [0,0,0,1,0,0|2,0,1]=4 732 B11R2.1 c1ccc2c(c1)C(CO2)N TS45384 [0,0,0,1,0,0|2,0,1]=4 733 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [0,0,0,1,0,0|1,0,1]=3 734 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,0,0,1,0,0|0,0,0]=1 735 B11R2.1 c1ccc2c(c1)CCC2Cl TS41220 [0,0,0,1,0,0|1,0,1]=3 736 B11R2.1 c1ccc2c(c1)CCC2N TS05846 [0,0,0,1,0,0|1,0,1]=3 737 B11R2.1 c1ccc2c(c1)CCC2N TS45061 [0,0,0,1,0,0|1,0,1]=3 738 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [0,0,0,1,0,0|0,0,2]=3 739 B11R2.1 c1ccc2c(c1)CC[C@@H]2N TS36779 [0,0,0,1,0,0|1,0,1]=3 740 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [0,0,0,1,0,0|0,0,2]=3 741 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS01966 [0,0,0,1,0,0|1,0,1]=3 742 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS08065 [0,0,0,1,0,0|1,0,1]=3 743 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [0,0,0,1,0,0|0,0,2]=3 744 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [0,0,0,1,0,0|2,0,0]=3 745 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [0,0,0,1,0,0|1,0,0]=2 746 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [0,0,0,1,0,0|1,0,0]=2 747 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 TS93611 [0,0,0,1,0,0|2,0,0]=3 748 B11R2.1 c1ccc2c(c1)c(=O)ss2 TS12573 [0,0,0,1,0,0|2,0,0]=3 749 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [0,0,0,1,0,0|2,0,1]=4 750 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [0,0,0,1,0,0|2,0,1]=4 751 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [0,0,0,1,0,0|2,0,1]=4 752 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [0,0,0,1,0,0|1,0,2]=4 753 B11R2.1 c1ccc2c(c1)c(co2)Br TS18385 [0,0,0,1,0,0|2,0,1]=4 754 B11R2.1 c1ccc2c(c1)c(cs2)Br TS65900 [0,0,0,1,0,0|2,0,1]=4 755 B11R2.1 c1ccc2c(c1)c(cs2)I TS29427 [0,0,0,1,0,0|2,0,1]=4 756 B11R2.1 c1ccc2c(c1)c(cs2)O TS70621 [0,0,0,1,0,0|1,0,2]=4 757 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br TS65947 [0,0,0,1,0,0|3,0,0]=4 758 B11R2.1 c1ccc2c(c1)c(n[nH]2)Cl TS09510 [0,0,0,1,0,0|3,0,0]=4 759 B11R2.1 c1ccc2c(c1)c(n[nH]2)I TS02806 [0,0,0,1,0,0|3,0,0]=4 760 B11R2.1 c1ccc2c(c1)c(n[nH]2)N TS46951 [0,0,0,1,0,0|3,0,0]=4 761 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [0,0,0,1,0,0|2,0,1]=4 762 B11R2.1 c1ccc2c(c1)c(no2)Cl TS09509 [0,0,0,1,0,0|3,0,0]=4 763 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [0,0,0,1,0,0|3,0,0]=4 764 B11R2.1 c1ccc2c(c1)c(no2)O TS01879 [0,0,0,1,0,0|2,0,1]=4 765 B11R2.1 c1ccc2c(c1)c(ns2)Cl TS12734 [0,0,0,1,0,0|3,0,0]=4 766 B11R2.1 c1ccc2c(c1)c(ns2)N TS46772 [0,0,0,1,0,0|3,0,0]=4 767 B11R2.1 c1ccc2c(c1)ccs2=O TS40887 [0,0,0,1,0,0|1,0,2]=4 768 B11R2.1 c1ccc2c(c1)non2=O TS06044 [0,0,0,1,0,0|3,0,0]=4 769 B11R2.1 c1ccn2c(c1)n[nH]c2=O TS16379 [0,0,0,1,0,0|3,0,0]=4 770 B11R2.1 c1cncc2c1CNC2=O TS91296 [0,0,0,1,0,0|2,0,0]=3 771 B11R2.1 c1cncc2c1COC2=O TS05973 [0,0,0,1,0,0|2,0,0]=3 772 B11R2.4 CC1CC1c2ccccc2 TS36705 [0,0,0,1,0,0|1,0,1]=3 773 B11R2.4 C[C@@H]1[C@H](O1)c2ccccc2 TS05905 [0,0,0,1,0,0|0,0,2]=3 774 B11R2.4 C[C@H]1[C@@H](O1)c2ccccc2 TS36853 [0,0,0,1,0,0|0,0,2]=3 775 B11R2.4 c1ccc(cc1)C2CC2N TS45058 [0,0,0,1,0,0|2,0,1]=4 776 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS12741 [0,0,0,1,0,0|2,0,1]=4 777 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS66575 [0,0,0,1,0,0|2,0,1]=4 778 B11R2.40 CC1(CO1)c2ccccc2 TS36836 [0,0,0,1,0,0|2,0,1]=4 779 B11R2.40 c1cc(cnc1)C2(CC2)N TS47030 [0,0,0,1,0,0|2,0,1]=4 780 B11R2.40 c1ccnc(c1)C2(CC2)N TS05915 [0,0,0,1,0,0|2,0,1]=4 781 B11R2.239 c1ccc(cc1)C2CCN2 TS36775 [0,0,0,1,0,0|1,0,1]=3 782 B11R2.988 c1ccc2c(c1)C=C2C#N TS05463 [0,0,0,1,0,0|2,0,1]=4 783 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [0,0,0,1,0,0|2,0,1]=4 784 B9R1.11 CCC(=O)c1ccco1 TS07974 [0,0,0,0,1,0|1,0,0]=2 785 B9R1.11 CCC(=O)c1cccs1 TS37392 [0,0,0,0,1,0|1,0,0]=2 786 B9R1.11 CCC(=O)c1nccs1 TS37503 [0,0,0,0,1,0|2,0,0]=3 787 B9R1.11 CCC(=O)n1ccnc1 TS32614 [0,0,0,0,1,0|2,0,0]=3 788 B9R1.11 COC(=O)c1[nH]ccn1 TS87683 [0,0,0,0,1,0|3,0,0]=4 789 B9R1.11 COC(=O)c1c[nH]cn1 TS01547 [0,0,0,0,1,0|3,0,0]=4 790 B9R1.11 COC(=O)c1c[nH]nc1 TS36104 [0,0,0,0,1,0|3,0,0]=4 791 B9R1.11 COC(=O)c1cc[nH]n1 TS01548 [0,0,0,0,1,0|3,0,0]=4 792 B9R1.11 COC(=O)c1ccc[nH]1 TS01549 [0,0,0,0,1,0|2,0,0]=3 793 B9R1.11 COC(=O)c1ccco1 TS56258 [0,0,0,0,1,0|2,0,0]=3 794 B9R1.11 COC(=O)c1cccs1 TS37577 [0,0,0,0,1,0|2,0,0]=3 795 B9R1.11 COC(=O)c1cccs1 TS37579 [0,0,0,0,1,0|2,0,0]=3 796 B9R1.11 COC(=O)c1ccns1 TS56200 [0,0,0,0,1,0|3,0,0]=4 797 B9R1.11 COC(=O)c1ccoc1 TS00187 [0,0,0,0,1,0|2,0,0]=3 798 B9R1.11 COC(=O)c1ccsc1 TS37576 [0,0,0,0,1,0|2,0,0]=3 799 B9R1.11 COC(=O)c1cncs1 TS01561 [0,0,0,0,1,0|3,0,0]=4 800 B9R1.11 COC(=O)c1cnoc1 TS05236 [0,0,0,0,1,0|3,0,0]=4 801 B9R1.11 COC(=O)c1cscn1 TS01560 [0,0,0,0,1,0|3,0,0]=4 802 B9R1.11 COC(=O)n1cccc1 TS05085 [0,0,0,0,1,0|2,0,0]=3 803 B9R1.11 c1cc([nH]c1)C(=O)CCl TS40119 [0,0,0,0,1,0|2,0,0]=3 804 B9R1.11 c1cc(oc1)C(=O)NN TS36103 [0,0,0,0,1,0|3,0,0]=4 805 B9R1.11 c1cc(sc1)C(=O)CBr TS47079 [0,0,0,0,1,0|2,0,0]=3 806 B9R1.11 c1cc(sc1)C(=O)CCl TS42252 [0,0,0,0,1,0|2,0,0]=3 807 B9R1.11 c1cc(sc1)C(=O)NN TS37584 [0,0,0,0,1,0|3,0,0]=4 808 B9R1.11 c1csc(n1)C(=O)CBr TS00230 [0,0,0,0,1,0|3,0,0]=4 809 B9R1.11 c1cscc1C(=O)CBr TS09435 [0,0,0,0,1,0|2,0,0]=3 810 B9R1.11 c1cscc1C(=O)NN TS37589 [0,0,0,0,1,0|3,0,0]=4 811 B11R1.40 C=CC(=O)Oc1ccccc1 TS07421 [0,0,0,0,0,1|0,0,2]=3 812 B11R1.40 CC(=Cc1ccccc1)C=O TS07231 [0,0,0,0,0,1|2,0,1]=4 813 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [0,0,0,0,0,1|2,0,0]=3 814 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [0,0,0,0,0,1|3,0,0]=4 815 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [0,0,0,0,0,1|2,0,1]=4 816 B11R1.40 CC(Cc1ccccc1)NC TS07600 [0,0,0,0,0,1|2,0,1]=4 817 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,0,0,0,0,1|1,0,0]=2 818 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,0,0,0,0,1|0,0,0]=1 819 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [0,0,0,0,0,1|0,0,0]=1 820 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [0,0,0,0,0,1|1,0,1]=3 821 B11R1.40 CCC(Cc1ccccc1)O TS00513 [0,0,0,0,0,1|0,0,2]=3 822 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [0,0,0,0,0,1|1,0,0]=2 823 B11R1.40 CNC(=S)Nc1ccccc1 TS12286 [0,0,0,0,0,1|1,1,0]=3 824 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [0,0,0,0,0,1|1,0,0]=2 825 B11R1.40 COC(=O)Cc1ccccn1 TS39400 [0,0,0,0,0,1|2,0,0]=3 826 B11R1.40 COC(=O)Cc1cccnc1 TS90627 [0,0,0,0,0,1|2,0,0]=3 827 B11R1.40 COC(=O)Cc1cccnn1 TS85573 [0,0,0,0,0,1|3,0,0]=4 828 B11R1.40 COC(=O)Cc1ccncc1 TS10039 [0,0,0,0,0,1|2,0,0]=3 829 B11R1.40 COC(=O)Cc1ccncn1 TS88322 [0,0,0,0,0,1|3,0,0]=4 830 B11R1.40 COC(=O)Cc1ccnnc1 TS90137 [0,0,0,0,0,1|3,0,0]=4 831 B11R1.40 COC(=O)Cc1cnccn1 TS88028 [0,0,0,0,0,1|3,0,0]=4 832 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [0,0,0,0,0,1|1,0,0]=2 833 B11R1.40 C[C@@H](Cc1ccccc1)NC TS40789 [0,0,0,0,0,1|2,0,1]=4 834 B11R1.40 C[C@H](Cc1ccccc1)NC TS40784 [0,0,0,0,0,1|2,0,1]=4 835 B11R1.40 c1cc(cnc1)CC(=O)NN TS10044 [0,0,0,0,0,1|3,0,0]=4 836 B11R1.40 c1cc[n+](cc1)CC(=O)NN TS50625 [0,0,0,0,0,1|3,0,0]=4 837 B11R1.40 c1ccc(cc1)C=C(C=O)Br TS21062 [0,0,0,0,0,1|2,0,1]=4 838 B11R1.40 c1ccc(cc1)C=C(C=O)Cl TS12312 [0,0,0,0,0,1|2,0,1]=4 839 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [0,0,0,0,0,1|1,0,0]=2 840 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [0,0,0,0,0,1|2,0,0]=3 841 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [0,0,0,0,0,1|2,0,0]=3 842 B11R1.40 c1ccc(cc1)C[C@H](CN)N TS09945 [0,0,0,0,0,1|2,0,1]=4 843 B11R1.40 c1ccc(cc1)C[C@H](CO)N TS07919 [0,0,0,0,0,1|2,0,1]=4 844 B11R1.40 c1ccc(cc1)NC(=O)CCl TS12724 [0,0,0,0,0,1|1,0,0]=2 845 B11R1.40 c1ccc(cc1)NC(=O)CS TS12417 [0,0,0,0,0,1|1,0,0]=2 846 B11R1.40 c1ccc(cc1)NC(=O)NN TS41023 [0,0,0,0,0,1|2,0,0]=3 847 B11R1.40 c1ccc(cc1)NC(=O)NN TS50626 [0,0,0,0,0,1|2,0,0]=3 848 B11R1.40 c1ccc(cc1)NC(=S)C#N TS42481 [0,0,0,0,0,1|1,1,1]=4 849 B11R1.40 c1ccc(cc1)NC(=S)NN TS12418 [0,0,0,0,0,1|2,1,0]=4 850 B11R1.40 c1ccc(cc1)OC(=O)CBr TS44644 [0,0,0,0,0,1|1,0,0]=2 851 B11R1.40 c1ccc(cc1)OC(=O)CCl TS12932 [0,0,0,0,0,1|1,0,0]=2 852 B11R1.40 c1ccnc(c1)NC(=O)CCl TS45233 [0,0,0,0,0,1|2,0,0]=3 853 B11R1.40 c1cnc(nc1)NC(=O)CCl TS13083 [0,0,0,0,0,1|3,0,0]=4 854 B8R0.6 CC=CC=CC(=O)OC TS05163 [1,0,1,0,0,0|1,0,1]=4 855 B8R0.4 CCCC=CC=CC=O TS36011 [1,0,1,0,0,0|1,0,1]=4 856 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|0,0,2]=4 857 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|0,0,1]=3 858 B8R1.2 C=Cc1ccccn1 TS31704 [2,0,0,0,0,0|1,0,1]=4 859 B8R1.2 C=Cc1cccnc1 TS31705 [2,0,0,0,0,0|1,0,1]=4 860 B8R1.2 C=Cc1ccncc1 TS33177 [2,0,0,0,0,0|1,0,1]=4 861 B8R1.2 CCC1=CCC=CC1 TS04142 [2,0,0,0,0,0|0,0,2]=4 862 B8R1.2 CC[n+]1ccccc1 TS40125 [2,0,0,0,0,0|1,0,0]=3 863 B8R1.2 CC[n+]1ccccc1 TS50650 [2,0,0,0,0,0|1,0,0]=3 864 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|0,0,0]=2 865 B8R1.2 CCc1ccccn1 TS55316 [2,0,0,0,0,0|1,0,0]=3 866 B8R1.2 CCc1cccnc1 TS04113 [2,0,0,0,0,0|1,0,0]=3 867 B8R1.2 CCc1ccncc1 TS04110 [2,0,0,0,0,0|1,0,0]=3 868 B8R1.2 CCc1cnccn1 TS31774 [2,0,0,0,0,0|2,0,0]=4 869 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|1,0,0]=3 870 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|1,0,0]=3 871 B8R1.2 CNc1ccccn1 TS22814 [2,0,0,0,0,0|2,0,0]=4 872 B8R1.2 CNc1cccnc1 TS09432 [2,0,0,0,0,0|2,0,0]=4 873 B8R1.2 CNc1ccncc1 TS16891 [2,0,0,0,0,0|2,0,0]=4 874 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|1,0,0]=3 875 B8R1.2 COc1ccncc1 TS03163 [2,0,0,0,0,0|2,0,0]=4 876 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|1,0,0]=3 877 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|1,0,0]=3 878 B8R1.2 CSc1ccccn1 TS05101 [2,0,0,0,0,0|2,0,0]=4 879 B8R1.2 CSc1cccnc1 TS05108 [2,0,0,0,0,0|2,0,0]=4 880 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|1,0,0]=3 881 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|0,1,0]=3 882 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|1,0,1]=4 883 B8R1.2 c1c(cncn1)C=O TS01668 [2,0,0,0,0,0|2,0,0]=4 884 B8R1.2 c1cc(cnc1)CBr TS09437 [2,0,0,0,0,0|2,0,0]=4 885 B8R1.2 c1cc(cnc1)CCl TS00113 [2,0,0,0,0,0|2,0,0]=4 886 B8R1.2 c1cc(cnc1)CCl TS02031 [2,0,0,0,0,0|2,0,0]=4 887 B8R1.2 c1cc(cnc1)CI TS49544 [2,0,0,0,0,0|2,0,0]=4 888 B8R1.2 c1cc(cnc1)CI TS64566 [2,0,0,0,0,0|2,0,0]=4 889 B8R1.2 c1cc(cnc1)CN TS02883 [2,0,0,0,0,0|2,0,0]=4 890 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|2,0,0]=4 891 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|2,0,0]=4 892 B8R1.2 c1cc(nnc1)C=O TS59366 [2,0,0,0,0,0|2,0,0]=4 893 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|1,0,1]=4 894 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|1,0,1]=4 895 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|0,0,0]=2 896 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|1,0,0]=3 897 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|1,0,0]=3 898 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|1,0,0]=3 899 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|1,0,0]=3 900 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|1,0,0]=3 901 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|1,0,0]=3 902 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|1,0,0]=3 903 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|1,0,0]=3 904 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|1,0,0]=3 905 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|2,0,0]=4 906 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|2,0,0]=4 907 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|2,0,0]=4 908 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|2,0,0]=4 909 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|1,0,1]=4 910 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|1,0,1]=4 911 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|2,0,0]=4 912 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 913 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 914 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 915 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 916 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 917 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|2,0,0]=4 918 B8R1.2 c1ccnc(c1)C=O TS02469 [2,0,0,0,0,0|1,0,0]=3 919 B8R1.2 c1ccnc(c1)CBr TS47083 [2,0,0,0,0,0|2,0,0]=4 920 B8R1.2 c1ccnc(c1)CCl TS47089 [2,0,0,0,0,0|2,0,0]=4 921 B8R1.2 c1ccnc(c1)CCl TS47090 [2,0,0,0,0,0|2,0,0]=4 922 B8R1.2 c1ccnc(c1)CN TS00811 [2,0,0,0,0,0|2,0,0]=4 923 B8R1.2 c1ccnc(c1)CO TS07144 [2,0,0,0,0,0|2,0,0]=4 924 B8R1.2 c1ccnc(c1)CO TS31798 [2,0,0,0,0,0|2,0,0]=4 925 B8R1.2 c1ccnc(c1)CS TS05100 [2,0,0,0,0,0|2,0,0]=4 926 B8R1.2 c1cnc(cn1)C=O TS31759 [2,0,0,0,0,0|2,0,0]=4 927 B8R1.2 c1cnc(nc1)C=O TS02479 [2,0,0,0,0,0|2,0,0]=4 928 B8R1.2 c1cnccc1C=O TS59369 [2,0,0,0,0,0|1,0,0]=3 929 B8R1.2 c1cnccc1CBr TS39318 [2,0,0,0,0,0|2,0,0]=4 930 B8R1.2 c1cnccc1CCl TS16903 [2,0,0,0,0,0|2,0,0]=4 931 B8R1.2 c1cnccc1CN TS31773 [2,0,0,0,0,0|2,0,0]=4 932 B8R1.2 c1cnccc1CO TS07149 [2,0,0,0,0,0|2,0,0]=4 933 B8R1.2 c1cnccc1CO TS71297 [2,0,0,0,0,0|2,0,0]=4 934 B8R1.2 c1cncnc1C=O TS01666 [2,0,0,0,0,0|2,0,0]=4 935 B8R1.2 c1cnncc1C=O TS87334 [2,0,0,0,0,0|2,0,0]=4 936 B10R0.1 CCOC(=O)CCC=CC=C TS41397 [0,1,1,0,0,0|0,0,2]=4 937 B10R0.74 CCC(=O)OCC=CC=CC TS41399 [0,1,1,0,0,0|0,0,2]=4 938 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [1,1,0,0,0,0|1,0,0]=3 939 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [1,1,0,0,0,0|1,0,0]=3 940 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,1,0,0,0,0|0,0,0]=2 941 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,1,0,0,0,0|0,0,0]=2 942 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,1,0,0,0,0|0,0,0]=2 943 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,1,0,0,0,0|0,0,0]=2 944 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,1,0,0,0,0|0,0,0]=2 945 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [1,1,0,0,0,0|1,0,0]=3 946 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [1,1,0,0,0,0|1,0,0]=3 947 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [1,1,0,0,0,0|1,0,0]=3 948 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [1,1,0,0,0,0|1,0,0]=3 949 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [1,1,0,0,0,0|2,0,0]=4 950 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [1,1,0,0,0,0|1,0,0]=3 951 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [1,1,0,0,0,0|2,0,0]=4 952 B10R1.13 CC(=O)c1ncc(cn1)Br TS91771 [1,1,0,0,0,0|2,0,0]=4 953 B10R1.13 CC(=O)c1ncc(cn1)F TS89063 [1,1,0,0,0,0|2,0,0]=4 954 B10R1.13 CC(C)c1ccc(cc1)Br TS00030 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.13 CC(C)c1ccc(cc1)F TS06283 [1,1,0,0,0,0|1,0,1]=4 956 B10R1.13 CC(C)c1ccc(cc1)I TS27405 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.13 CC(C)c1ccc(cc1)N TS39757 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.13 CC(C)c1ccc(cc1)S TS41192 [1,1,0,0,0,0|1,0,1]=4 960 B10R1.13 CC(c1ccc(cc1)Cl)N TS10633 [1,1,0,0,0,0|1,0,1]=4 961 B10R1.13 CC(c1ccc(cc1)Cl)O TS10801 [1,1,0,0,0,0|0,0,2]=4 962 B10R1.13 CC(c1ccc(cc1)F)O TS46723 [1,1,0,0,0,0|0,0,2]=4 963 B10R1.13 CC(c1ccc(cc1)N)O TS37111 [1,1,0,0,0,0|0,0,2]=4 964 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [1,1,0,0,0,0|0,0,2]=4 965 B10R1.13 CN(C)c1ccc(cc1)Br TS39551 [1,1,0,0,0,0|2,0,0]=4 966 B10R1.13 CN(C)c1ccc(cc1)F TS37295 [1,1,0,0,0,0|2,0,0]=4 967 B10R1.13 CN(C)c1ccc(cc1)I TS27558 [1,1,0,0,0,0|2,0,0]=4 968 B10R1.13 CN(C)c1ccc(cc1)N TS24168 [1,1,0,0,0,0|2,0,0]=4 969 B10R1.13 CN(C)c1ccc(cc1)N TS37038 [1,1,0,0,0,0|2,0,0]=4 970 B10R1.13 CN(C)c1ccc(cc1)S TS10342 [1,1,0,0,0,0|2,0,0]=4 971 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [1,1,0,0,0,0|1,0,0]=3 972 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [1,1,0,0,0,0|1,0,0]=3 973 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [1,1,0,0,0,0|1,0,0]=3 974 B10R1.13 C[C@@H](c1ccc(cc1)Br)N TS08104 [1,1,0,0,0,0|1,0,1]=4 975 B10R1.13 C[C@@H](c1ccc(cc1)Br)O TS38046 [1,1,0,0,0,0|0,0,2]=4 976 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N TS41561 [1,1,0,0,0,0|1,0,1]=4 977 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O TS41711 [1,1,0,0,0,0|0,0,2]=4 978 B10R1.13 C[C@@H](c1ccc(cc1)F)N TS39575 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.13 C[C@@H](c1ccc(cc1)F)O TS06456 [1,1,0,0,0,0|0,0,2]=4 980 B10R1.13 C[C@@H](c1ccc(cc1)N)N TS20700 [1,1,0,0,0,0|1,0,1]=4 981 B10R1.13 C[C@H](c1ccc(cc1)Br)O TS38043 [1,1,0,0,0,0|0,0,2]=4 982 B10R1.13 C[C@H](c1ccc(cc1)Cl)N TS10630 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.13 C[C@H](c1ccc(cc1)Cl)O TS41729 [1,1,0,0,0,0|0,0,2]=4 984 B10R1.13 C[C@H](c1ccc(cc1)F)O TS06452 [1,1,0,0,0,0|0,0,2]=4 985 B10R1.13 C[C@H](c1ccc(cc1)N)N TS20699 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [1,1,0,0,0,0|2,0,0]=4 987 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [1,1,0,0,0,0|1,0,0]=3 988 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [1,1,0,0,0,0|2,0,0]=4 989 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,1,0,0,0,0|0,0,0]=2 990 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [1,1,0,0,0,0|1,0,0]=3 992 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [1,1,0,0,0,0|1,0,0]=3 993 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [1,1,0,0,0,0|1,1,0]=4 994 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [1,1,0,0,0,0|1,0,1]=4 995 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [1,1,0,0,0,0|1,0,1]=4 996 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [1,1,0,0,0,0|1,0,1]=4 997 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [1,1,0,0,0,0|0,0,2]=4 998 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [1,1,0,0,0,0|1,0,0]=3 1000 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [1,1,0,0,0,0|1,0,0]=3 1001 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [1,1,0,0,0,0|2,0,0]=4 1004 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [1,1,0,0,0,0|2,0,0]=4 1006 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [1,1,0,0,0,0|2,0,0]=4 1007 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [1,1,0,0,0,0|1,0,1]=4 1008 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [1,1,0,0,0,0|1,0,1]=4 1009 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [1,1,0,0,0,0|1,0,1]=4 1010 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [1,1,0,0,0,0|1,0,0]=3 1012 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [1,1,0,0,0,0|1,0,0]=3 1015 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [1,1,0,0,0,0|2,0,0]=4 1016 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [1,1,0,0,0,0|2,0,0]=4 1017 B10R1.13 c1cc(ccc1C(=N)N)Br TS09590 [1,1,0,0,0,0|2,0,0]=4 1018 B10R1.13 c1cc(ccc1C(=N)N)Br TS39740 [1,1,0,0,0,0|2,0,0]=4 1019 B10R1.13 c1cc(ccc1C(=N)N)Cl TS33150 [1,1,0,0,0,0|2,0,0]=4 1020 B10R1.13 c1cc(ccc1C(=N)N)Cl TS54571 [1,1,0,0,0,0|2,0,0]=4 1021 B10R1.13 c1cc(ccc1C(=N)N)Cl TS71058 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.13 c1cc(ccc1C(=N)N)F TS03080 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.13 c1cc(ccc1C(=N)N)I TS54570 [1,1,0,0,0,0|2,0,0]=4 1024 B10R1.13 c1cc(ccc1C(=N)N)N TS45388 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.13 c1cc(ccc1C(=N)N)N TS70909 [1,1,0,0,0,0|2,0,0]=4 1026 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [1,1,0,0,0,0|1,0,0]=3 1031 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [1,1,0,0,0,0|1,0,0]=3 1032 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [1,1,0,0,0,0|1,0,0]=3 1033 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [1,1,0,0,0,0|1,0,0]=3 1036 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [1,1,0,0,0,0|1,0,0]=3 1037 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [1,1,0,0,0,0|1,0,0]=3 1038 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [1,1,0,0,0,0|1,0,0]=3 1039 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [1,1,0,0,0,0|1,0,0]=3 1040 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [1,1,0,0,0,0|1,0,0]=3 1041 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [1,1,0,0,0,0|1,0,0]=3 1042 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [1,1,0,0,0,0|1,0,0]=3 1043 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [1,1,0,0,0,0|1,0,0]=3 1045 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [1,1,0,0,0,0|1,0,0]=3 1046 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [1,1,0,0,0,0|1,0,0]=3 1047 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [1,1,0,0,0,0|1,0,0]=3 1048 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [1,1,0,0,0,0|1,0,0]=3 1049 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [1,1,0,0,0,0|1,0,0]=3 1050 B10R1.13 c1cc(ccc1C(=S)N)Br TS21979 [1,1,0,0,0,0|1,1,0]=4 1051 B10R1.13 c1cc(ccc1C(=S)N)Cl TS09015 [1,1,0,0,0,0|1,1,0]=4 1052 B10R1.13 c1cc(ccc1C(=S)N)F TS41515 [1,1,0,0,0,0|1,1,0]=4 1053 B10R1.13 c1cc(ccc1C(=S)N)N TS10202 [1,1,0,0,0,0|1,1,0]=4 1054 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [1,1,0,0,0,0|1,1,0]=4 1055 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.13 c1cc(ccc1F)S(=O)[O-] TS01688 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.13 c1cc(ccc1N(=O)=O)F TS03096 [1,1,0,0,0,0|2,0,0]=4 1058 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] TS09744 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.13 c1cc(ccc1S(=O)[O-])Br TS54208 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.13 c1cc(ccc1S(=O)[O-])Cl TS18735 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br TS00415 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl TS41832 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.13 c1cc(ccc1[N+](=O)[O-])I TS09204 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [1,1,0,0,0,0|2,0,0]=4 1066 B10R1.13 c1cc(ccc1[N+](=O)[O-])S TS41511 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [1,1,0,0,0,0|2,0,0]=4 1069 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [1,1,0,0,0,0|2,0,0]=4 1070 B10R1.13 c1cc(ncc1C(=O)Cl)Cl TS46030 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.13 c1cc(ncc1C(=O)N)Cl TS85258 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.13 c1cc(ncc1C(=O)N)N TS06177 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [1,1,0,0,0,0|2,0,0]=4 1074 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [1,1,0,0,0,0|2,0,0]=4 1082 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [1,1,0,0,0,0|2,0,0]=4 1083 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [1,1,0,0,0,0|2,0,0]=4 1087 B10R1.28 CC(C)(C)c1ccccc1 TS36860 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.28 CC(C)(c1ccccc1)Cl TS55727 [1,1,0,0,0,0|1,0,1]=4 1089 B10R1.28 CC(C)(c1ccccc1)N TS01396 [1,1,0,0,0,0|1,0,1]=4 1090 B10R1.28 CC(C)(c1ccccc1)O TS37014 [1,1,0,0,0,0|0,0,2]=4 1091 B10R1.28 CC(C)(c1ccccc1)S TS41195 [1,1,0,0,0,0|0,1,1]=4 1092 B10R1.28 CP(=O)(c1ccccc1)O TS10652 [1,1,0,0,0,0|1,0,0]=3 1093 B10R1.28 CS(=N)(=O)c1ccccc1 TS10592 [1,1,0,0,0,0|1,0,0]=3 1094 B10R1.28 CS(=N)(=O)c1ccccc1 TS10595 [1,1,0,0,0,0|1,0,0]=3 1095 B10R1.28 CS(=O)(=O)c1ccccc1 TS10691 [1,1,0,0,0,0|1,0,0]=3 1096 B10R1.28 C[Ge](C)(C)c1ccccc1 TS17979 [1,1,0,0,0,0|1,1,0]=4 1097 B10R1.28 C[Ge](C)(c1ccccc1)Cl TS44679 [1,1,0,0,0,0|1,1,0]=4 1098 B10R1.28 C[N+](C)(C)c1ccccc1 TS13087 [1,1,0,0,0,0|2,0,0]=4 1099 B10R1.28 C[N+](C)(C)c1ccccc1 TS21988 [1,1,0,0,0,0|2,0,0]=4 1100 B10R1.28 C[N+](C)(C)c1ccccc1 TS27630 [1,1,0,0,0,0|2,0,0]=4 1101 B10R1.28 C[N+](C)(C)c1ccccc1 TS41300 [1,1,0,0,0,0|2,0,0]=4 1102 B10R1.28 C[Si](C)(C)c1ccccc1 TS40935 [1,1,0,0,0,0|1,1,0]=4 1103 B10R1.28 C[Si](C)(c1ccccc1)Cl TS12944 [1,1,0,0,0,0|1,1,0]=4 1104 B10R1.28 C[Si](C)(c1ccccc1)F TS41455 [1,1,0,0,0,0|1,1,0]=4 1105 B10R1.28 C[Sn](C)(C)c1ccccc1 TS57483 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl TS59342 [1,1,0,0,0,0|2,0,0]=4 1107 B10R1.28 c1ccc(cc1)P(=O)(O)O TS29485 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.28 c1ccc(cc1)P(=O)([O-])[O-] TS38199 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.28 c1ccc(cc1)S(=O)(=O)Br TS49902 [1,1,0,0,0,0|2,0,0]=4 1110 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl TS13945 [1,1,0,0,0,0|2,0,0]=4 1111 B10R1.28 c1ccc(cc1)S(=O)(=O)F TS11207 [1,1,0,0,0,0|2,0,0]=4 1112 B10R1.28 c1ccc(cc1)S(=O)(=O)N TS39806 [1,1,0,0,0,0|2,0,0]=4 1113 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS10960 [1,1,0,0,0,0|2,0,0]=4 1114 B10R1.28 c1ccc(cc1)S(=O)(=O)O TS24749 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS14548 [1,1,0,0,0,0|2,0,0]=4 1116 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS18299 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS34113 [1,1,0,0,0,0|2,0,0]=4 1118 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS60104 [1,1,0,0,0,0|2,0,0]=4 1119 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] TS80092 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.28 c1ccc(cc1)S(=O)(=S)[O-] TS18254 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,1,0,0,0,0|1,0,0]=3 1122 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [1,1,0,0,0,0|1,0,0]=3 1123 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [1,1,0,0,0,0|1,0,0]=3 1124 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [1,1,0,0,0,0|1,0,0]=3 1125 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [1,1,0,0,0,0|1,0,0]=3 1126 B10R1.61 CC(=O)c1c(nccn1)Cl TS90872 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.61 CC(=O)c1c(nccn1)N TS87446 [1,1,0,0,0,0|2,0,0]=4 1128 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,1,0,0,0,0|0,0,0]=2 1129 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,1,0,0,0,0|0,0,0]=2 1130 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,1,0,0,0,0|0,0,0]=2 1131 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,1,0,0,0,0|0,0,0]=2 1132 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,1,0,0,0,0|0,0,0]=2 1133 B10R1.61 CC(=O)c1cccnc1Br TS18940 [1,1,0,0,0,0|1,0,0]=3 1134 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [1,1,0,0,0,0|1,0,0]=3 1135 B10R1.61 CC(=O)c1cccnc1F TS02616 [1,1,0,0,0,0|1,0,0]=3 1136 B10R1.61 CC(=O)c1cccnc1N TS08276 [1,1,0,0,0,0|1,0,0]=3 1137 B10R1.61 CC(=O)c1ccncc1Br TS18937 [1,1,0,0,0,0|1,0,0]=3 1138 B10R1.61 CC(=O)c1ccncc1Br TS76034 [1,1,0,0,0,0|1,0,0]=3 1139 B10R1.61 CC(=O)c1ccncc1F TS08156 [1,1,0,0,0,0|1,0,0]=3 1140 B10R1.61 CC(=O)c1ccncc1N TS06058 [1,1,0,0,0,0|1,0,0]=3 1141 B10R1.61 CC(=O)c1cnccc1F TS37273 [1,1,0,0,0,0|1,0,0]=3 1142 B10R1.61 CC(C)c1ccccc1Br TS46918 [1,1,0,0,0,0|1,0,1]=4 1143 B10R1.61 CC(C)c1ccccc1F TS06286 [1,1,0,0,0,0|1,0,1]=4 1144 B10R1.61 CC(C)c1ccccc1I TS27403 [1,1,0,0,0,0|1,0,1]=4 1145 B10R1.61 CC(C)c1ccccc1N TS06016 [1,1,0,0,0,0|1,0,1]=4 1146 B10R1.61 CC(C)c1ccccc1O TS06094 [1,1,0,0,0,0|1,0,1]=4 1147 B10R1.61 CC(C)c1ccccc1S TS41199 [1,1,0,0,0,0|1,0,1]=4 1148 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [1,1,0,0,0,0|1,0,1]=4 1149 B10R1.61 CC(c1ccccc1Br)O TS38045 [1,1,0,0,0,0|0,0,2]=4 1150 B10R1.61 CC(c1ccccc1Cl)N TS10635 [1,1,0,0,0,0|1,0,1]=4 1151 B10R1.61 CC(c1ccccc1Cl)O TS41730 [1,1,0,0,0,0|0,0,2]=4 1152 B10R1.61 CC(c1ccccc1F)N TS37297 [1,1,0,0,0,0|1,0,1]=4 1153 B10R1.61 CC(c1ccccc1F)O TS08150 [1,1,0,0,0,0|0,0,2]=4 1154 B10R1.61 CN(C)c1ccccc1Br TS37850 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.61 CN(C)c1ccccc1Cl TS10629 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.61 CN(C)c1ccccc1F TS37299 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.61 CS(=O)c1ccccc1O TS41630 [1,1,0,0,0,0|1,0,0]=3 1158 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [1,1,0,0,0,0|0,0,2]=4 1159 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [1,1,0,0,0,0|0,0,2]=4 1160 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [1,1,0,0,0,0|1,0,1]=4 1161 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [1,1,0,0,0,0|0,0,2]=4 1162 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [1,1,0,0,0,0|1,0,1]=4 1163 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [1,1,0,0,0,0|0,0,2]=4 1164 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [1,1,0,0,0,0|1,0,1]=4 1165 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [1,1,0,0,0,0|0,0,2]=4 1166 B10R1.61 Cc1c(cccn1)C(=O)O TS59977 [1,1,0,0,0,0|2,0,0]=4 1167 B10R1.61 Cc1c(cccn1)C(=O)O TS89838 [1,1,0,0,0,0|2,0,0]=4 1168 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [1,1,0,0,0,0|2,0,0]=4 1169 B10R1.61 Cc1ccccc1C(=C)C TS05768 [1,1,0,0,0,0|1,0,0]=3 1170 B10R1.61 Cc1ccccc1C(=N)N TS12937 [1,1,0,0,0,0|2,0,0]=4 1171 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,1,0,0,0,0|0,0,0]=2 1172 B10R1.61 Cc1ccccc1C(=O)Cl TS60155 [1,1,0,0,0,0|1,0,0]=3 1173 B10R1.61 Cc1ccccc1C(=O)N TS36917 [1,1,0,0,0,0|1,0,0]=3 1174 B10R1.61 Cc1ccccc1C(=O)O TS01622 [1,1,0,0,0,0|1,0,0]=3 1175 B10R1.61 Cc1ccccc1C(=S)N TS41052 [1,1,0,0,0,0|1,1,0]=4 1176 B10R1.61 Cc1ccccc1C(C)N TS36951 [1,1,0,0,0,0|1,0,1]=4 1177 B10R1.61 Cc1ccccc1C(C)O TS37021 [1,1,0,0,0,0|0,0,2]=4 1178 B10R1.61 Cc1ccccc1N(C)C TS06004 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [1,1,0,0,0,0|1,0,1]=4 1180 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [1,1,0,0,0,0|1,0,1]=4 1181 B10R1.61 Cc1ccccc1[N+](=O)[O-] TS37088 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.61 Cc1cccnc1C(=O)O TS37085 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.61 Cc1cccnc1C(=O)O TS60354 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.61 Cc1ccncc1C(=O)O TS39766 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.61 Cc1ccncc1C(=O)O TS71235 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.61 Cc1cnccc1C(=O)N TS02849 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.61 Cc1cnccc1C(=O)O TS06159 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.61 Cc1cnccc1C(=O)O TS86033 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.61 c1cc(c(nc1)Br)C(=O)N TS19143 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.61 c1cc(c(nc1)Br)C(=O)O TS00853 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.61 c1cc(c(nc1)C(=O)N)N TS59602 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [1,1,0,0,0,0|2,0,0]=4 1198 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [1,1,0,0,0,0|2,0,0]=4 1199 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl TS23000 [1,1,0,0,0,0|2,0,0]=4 1201 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [1,1,0,0,0,0|2,0,0]=4 1202 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS51738 [1,1,0,0,0,0|2,0,0]=4 1203 B10R1.61 c1cc(c(nc1)Cl)C(=O)O TS55284 [1,1,0,0,0,0|2,0,0]=4 1204 B10R1.61 c1cc(c(nc1)F)C(=O)O TS01039 [1,1,0,0,0,0|2,0,0]=4 1205 B10R1.61 c1cc(c(nc1)N)C(=O)N TS06174 [1,1,0,0,0,0|2,0,0]=4 1206 B10R1.61 c1cc(c(nc1)N)C(=O)O TS85373 [1,1,0,0,0,0|2,0,0]=4 1207 B10R1.61 c1cc(c(nc1)N)C(=O)O TS90622 [1,1,0,0,0,0|2,0,0]=4 1208 B10R1.61 c1cc(c(nc1)O)C(=O)O TS02008 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.61 c1cc(c(nc1)S)C(=O)O TS41510 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [1,1,0,0,0,0|2,0,0]=4 1211 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br TS55156 [1,1,0,0,0,0|1,0,0]=3 1212 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [1,1,0,0,0,0|1,0,0]=3 1213 B10R1.61 c1ccc(c(c1)C(=O)Cl)F TS11080 [1,1,0,0,0,0|1,0,0]=3 1214 B10R1.61 c1ccc(c(c1)C(=O)Cl)I TS07725 [1,1,0,0,0,0|1,0,0]=3 1215 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [1,1,0,0,0,0|1,0,0]=3 1216 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [1,1,0,0,0,0|1,0,0]=3 1217 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [1,1,0,0,0,0|1,0,0]=3 1218 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [1,1,0,0,0,0|1,0,0]=3 1219 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [1,1,0,0,0,0|1,0,0]=3 1220 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [1,1,0,0,0,0|1,0,0]=3 1221 B10R1.61 c1ccc(c(c1)C(=O)O)Br TS55155 [1,1,0,0,0,0|1,0,0]=3 1222 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [1,1,0,0,0,0|1,0,0]=3 1223 B10R1.61 c1ccc(c(c1)C(=O)O)I TS01784 [1,1,0,0,0,0|1,0,0]=3 1224 B10R1.61 c1ccc(c(c1)C(=O)O)N TS37101 [1,1,0,0,0,0|1,0,0]=3 1225 B10R1.61 c1ccc(c(c1)C(=O)O)O TS06230 [1,1,0,0,0,0|1,0,0]=3 1226 B10R1.61 c1ccc(c(c1)C(=O)O)O TS21137 [1,1,0,0,0,0|1,0,0]=3 1227 B10R1.61 c1ccc(c(c1)C(=O)O)O TS35051 [1,1,0,0,0,0|1,0,0]=3 1228 B10R1.61 c1ccc(c(c1)C(=O)O)S TS39677 [1,1,0,0,0,0|1,0,0]=3 1229 B10R1.61 c1ccc(c(c1)C(=O)[O-])F TS11489 [1,1,0,0,0,0|1,0,0]=3 1230 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS11099 [1,1,0,0,0,0|1,0,0]=3 1231 B10R1.61 c1ccc(c(c1)C(=O)[O-])N TS58695 [1,1,0,0,0,0|1,0,0]=3 1232 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS06906 [1,1,0,0,0,0|1,0,0]=3 1233 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS41498 [1,1,0,0,0,0|1,0,0]=3 1234 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS42111 [1,1,0,0,0,0|1,0,0]=3 1235 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS46100 [1,1,0,0,0,0|1,0,0]=3 1236 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS62094 [1,1,0,0,0,0|1,0,0]=3 1237 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS66456 [1,1,0,0,0,0|1,0,0]=3 1238 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS76682 [1,1,0,0,0,0|1,0,0]=3 1239 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS80592 [1,1,0,0,0,0|1,0,0]=3 1240 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS81548 [1,1,0,0,0,0|1,0,0]=3 1241 B10R1.61 c1ccc(c(c1)C(=O)[O-])O TS82956 [1,1,0,0,0,0|1,0,0]=3 1242 B10R1.61 c1ccc(c(c1)C(=O)[O-])S TS46069 [1,1,0,0,0,0|1,0,0]=3 1243 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [1,1,0,0,0,0|1,1,0]=4 1244 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [1,1,0,0,0,0|1,1,0]=4 1245 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [1,1,0,0,0,0|1,1,0]=4 1246 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [1,1,0,0,0,0|1,1,0]=4 1247 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [1,1,0,0,0,0|1,1,0]=4 1248 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS37160 [1,1,0,0,0,0|2,0,0]=4 1249 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] TS45867 [1,1,0,0,0,0|2,0,0]=4 1250 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br TS46919 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [1,1,0,0,0,0|2,0,0]=4 1252 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F TS01030 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I TS46971 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS09395 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O TS42253 [1,1,0,0,0,0|2,0,0]=4 1256 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])S TS09401 [1,1,0,0,0,0|2,0,0]=4 1257 B10R1.61 c1cncc(c1Br)C(=O)O TS70996 [1,1,0,0,0,0|2,0,0]=4 1258 B10R1.61 c1cncc(c1C(=O)N)Br TS65950 [1,1,0,0,0,0|2,0,0]=4 1259 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [1,1,0,0,0,0|2,0,0]=4 1260 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [1,1,0,0,0,0|2,0,0]=4 1261 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [1,1,0,0,0,0|2,0,0]=4 1262 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [1,1,0,0,0,0|2,0,0]=4 1264 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [1,1,0,0,0,0|2,0,0]=4 1265 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [1,1,0,0,0,0|2,0,0]=4 1266 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [1,1,0,0,0,0|2,0,0]=4 1267 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.61 c1cncc(c1Cl)C(=O)O TS09676 [1,1,0,0,0,0|2,0,0]=4 1269 B10R1.61 c1cncc(c1F)C(=O)O TS71139 [1,1,0,0,0,0|2,0,0]=4 1270 B10R1.61 c1cncc(c1N)C(=O)N TS70898 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.61 c1cncc(c1N)C(=O)O TS37157 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.61 c1cncc(c1N)C(=O)O TS85415 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.61 c1cncc(c1O)C(=O)O TS03130 [1,1,0,0,0,0|2,0,0]=4 1274 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [1,1,0,0,0,0|1,0,0]=3 1275 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [1,1,0,0,0,0|1,0,0]=3 1276 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [1,1,0,0,0,0|1,0,0]=3 1277 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [1,1,0,0,0,0|0,0,0]=2 1278 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [1,1,0,0,0,0|0,0,0]=2 1279 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [1,1,0,0,0,0|0,0,0]=2 1280 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [1,1,0,0,0,0|0,0,0]=2 1281 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [1,1,0,0,0,0|0,0,0]=2 1282 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [1,1,0,0,0,0|0,0,0]=2 1283 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [1,1,0,0,0,0|1,0,0]=3 1284 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [1,1,0,0,0,0|1,0,0]=3 1285 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [1,1,0,0,0,0|1,0,0]=3 1286 B10R1.113 CC(=O)c1ccnc(n1)N TS06171 [1,1,0,0,0,0|2,0,0]=4 1287 B10R1.113 CC(C)c1cccc(c1)Br TS54165 [1,1,0,0,0,0|1,0,1]=4 1288 B10R1.113 CC(C)c1cccc(c1)N TS36962 [1,1,0,0,0,0|1,0,1]=4 1289 B10R1.113 CC(C)c1cccc(c1)O TS06076 [1,1,0,0,0,0|1,0,1]=4 1290 B10R1.113 CC(c1cccc(c1)Br)N TS37847 [1,1,0,0,0,0|1,0,1]=4 1291 B10R1.113 CC(c1cccc(c1)Br)O TS38052 [1,1,0,0,0,0|0,0,2]=4 1292 B10R1.113 CC(c1cccc(c1)Cl)O TS41713 [1,1,0,0,0,0|0,0,2]=4 1293 B10R1.113 CC(c1cccc(c1)F)N TS37298 [1,1,0,0,0,0|1,0,1]=4 1294 B10R1.113 CC(c1cccc(c1)F)O TS37373 [1,1,0,0,0,0|0,0,2]=4 1295 B10R1.113 CC(c1cccc(c1)N)N TS37034 [1,1,0,0,0,0|1,0,1]=4 1296 B10R1.113 CC(c1cccc(c1)N)O TS37125 [1,1,0,0,0,0|0,0,2]=4 1297 B10R1.113 CN(C)c1cccc(c1)Br TS37848 [1,1,0,0,0,0|2,0,0]=4 1298 B10R1.113 CN(C)c1cccc(c1)Cl TS10632 [1,1,0,0,0,0|2,0,0]=4 1299 B10R1.113 CN(C)c1cccc(c1)N TS20698 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.113 CN(C)c1cccc(c1)O TS06190 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.113 CN(C)c1cccc(c1)S TS10347 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.113 C[C@@H](c1cccc(c1)Br)O TS38053 [1,1,0,0,0,0|0,0,2]=4 1303 B10R1.113 C[C@@H](c1cccc(c1)Cl)N TS08102 [1,1,0,0,0,0|1,0,1]=4 1304 B10R1.113 C[C@@H](c1cccc(c1)F)N TS08103 [1,1,0,0,0,0|1,0,1]=4 1305 B10R1.113 C[C@@H](c1cccc(c1)F)N TS13761 [1,1,0,0,0,0|1,0,1]=4 1306 B10R1.113 C[C@H](c1cccc(c1)Br)O TS38040 [1,1,0,0,0,0|0,0,2]=4 1307 B10R1.113 C[C@H](c1cccc(c1)Cl)N TS46592 [1,1,0,0,0,0|1,0,1]=4 1308 B10R1.113 C[C@H](c1cccc(c1)F)N TS46593 [1,1,0,0,0,0|1,0,1]=4 1309 B10R1.113 C[C@H](c1cccc(c1)N)N TS06099 [1,1,0,0,0,0|1,0,1]=4 1310 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [1,1,0,0,0,0|1,0,0]=3 1312 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [1,1,0,0,0,0|0,0,0]=2 1318 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [1,1,0,0,0,0|1,0,0]=3 1319 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [1,1,0,0,0,0|1,0,0]=3 1320 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [1,1,0,0,0,0|1,0,0]=3 1321 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [1,1,0,0,0,0|1,1,0]=4 1322 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [1,1,0,0,0,0|0,0,2]=4 1323 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [1,1,0,0,0,0|2,0,0]=4 1324 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [1,1,0,0,0,0|1,0,1]=4 1326 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [1,1,0,0,0,0|1,0,1]=4 1327 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [1,1,0,0,0,0|1,0,0]=3 1329 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [1,1,0,0,0,0|1,0,0]=3 1330 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [1,1,0,0,0,0|2,0,0]=4 1331 B10R1.113 c1c(cncc1Br)C(=O)Cl TS49867 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.113 c1c(cncc1Br)C(=O)N TS60080 [1,1,0,0,0,0|2,0,0]=4 1333 B10R1.113 c1c(cncc1Br)C(=O)O TS09808 [1,1,0,0,0,0|2,0,0]=4 1334 B10R1.113 c1c(cncc1Cl)C(=O)O TS03271 [1,1,0,0,0,0|2,0,0]=4 1335 B10R1.113 c1c(cncc1F)C(=O)O TS03323 [1,1,0,0,0,0|2,0,0]=4 1336 B10R1.113 c1c(cncc1N)C(=O)N TS03231 [1,1,0,0,0,0|2,0,0]=4 1337 B10R1.113 c1c(cncc1N)C(=O)O TS71381 [1,1,0,0,0,0|2,0,0]=4 1338 B10R1.113 c1c(cncc1O)C(=O)O TS30275 [1,1,0,0,0,0|2,0,0]=4 1339 B10R1.113 c1c(cncc1O)C(=O)O TS85371 [1,1,0,0,0,0|2,0,0]=4 1340 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS09478 [1,1,0,0,0,0|2,0,0]=4 1341 B10R1.113 c1cc(cc(c1)Br)C(=N)N TS54155 [1,1,0,0,0,0|2,0,0]=4 1342 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [1,1,0,0,0,0|1,0,0]=3 1343 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [1,1,0,0,0,0|1,0,0]=3 1344 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [1,1,0,0,0,0|1,0,0]=3 1345 B10R1.113 c1cc(cc(c1)Br)C(=S)N TS21980 [1,1,0,0,0,0|1,1,0]=4 1346 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] TS16330 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS41463 [1,1,0,0,0,0|2,0,0]=4 1348 B10R1.113 c1cc(cc(c1)Cl)C(=N)N TS51244 [1,1,0,0,0,0|2,0,0]=4 1349 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [1,1,0,0,0,0|1,0,0]=3 1350 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [1,1,0,0,0,0|1,0,0]=3 1351 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [1,1,0,0,0,0|1,0,0]=3 1352 B10R1.113 c1cc(cc(c1)Cl)C(=S)N TS45392 [1,1,0,0,0,0|1,1,0]=4 1353 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] TS41831 [1,1,0,0,0,0|2,0,0]=4 1354 B10R1.113 c1cc(cc(c1)F)C(=N)N TS13606 [1,1,0,0,0,0|2,0,0]=4 1355 B10R1.113 c1cc(cc(c1)F)C(=N)N TS37176 [1,1,0,0,0,0|2,0,0]=4 1356 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [1,1,0,0,0,0|1,0,0]=3 1357 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [1,1,0,0,0,0|1,0,0]=3 1358 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [1,1,0,0,0,0|1,0,0]=3 1359 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [1,1,0,0,0,0|1,0,0]=3 1360 B10R1.113 c1cc(cc(c1)F)C(=S)N TS41514 [1,1,0,0,0,0|1,1,0]=4 1361 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [1,1,0,0,0,0|1,0,0]=3 1362 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [1,1,0,0,0,0|1,0,0]=3 1363 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [1,1,0,0,0,0|1,0,0]=3 1364 B10R1.113 c1cc(cc(c1)I)C(=S)N TS29885 [1,1,0,0,0,0|1,1,0]=4 1365 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] TS27853 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.113 c1cc(cc(c1)N)C(=N)N TS20481 [1,1,0,0,0,0|2,0,0]=4 1367 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [1,1,0,0,0,0|1,0,0]=3 1368 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [1,1,0,0,0,0|1,0,0]=3 1369 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [1,1,0,0,0,0|1,0,0]=3 1370 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [1,1,0,0,0,0|1,0,0]=3 1371 B10R1.113 c1cc(cc(c1)N)C(=S)N TS41179 [1,1,0,0,0,0|1,1,0]=4 1372 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [1,1,0,0,0,0|1,0,0]=3 1373 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [1,1,0,0,0,0|1,0,0]=3 1374 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [1,1,0,0,0,0|1,0,0]=3 1375 B10R1.113 c1cc(cc(c1)O)C(=S)N TS10338 [1,1,0,0,0,0|1,1,0]=4 1376 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] TS01569 [1,1,0,0,0,0|2,0,0]=4 1377 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [1,1,0,0,0,0|1,0,0]=3 1378 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N TS02863 [1,1,0,0,0,0|2,0,0]=4 1379 B10R1.113 c1cc(cn(=O)c1)C(=O)N TS37161 [1,1,0,0,0,0|2,0,0]=4 1380 B10R1.113 c1cc(cn(=O)c1)C(=O)O TS06349 [1,1,0,0,0,0|2,0,0]=4 1381 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [1,1,0,0,0,0|2,0,0]=4 1382 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [1,1,0,0,0,0|2,0,0]=4 1383 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [1,1,0,0,0,0|2,0,0]=4 1384 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [1,1,0,0,0,0|2,0,0]=4 1385 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [1,1,0,0,0,0|2,0,0]=4 1386 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [1,1,0,0,0,0|2,0,0]=4 1387 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [1,1,0,0,0,0|2,0,0]=4 1388 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [1,1,0,0,0,0|2,0,0]=4 1390 B10R1.113 c1cnc(cc1Br)C(=O)N TS19142 [1,1,0,0,0,0|2,0,0]=4 1391 B10R1.113 c1cnc(cc1Br)C(=O)O TS09612 [1,1,0,0,0,0|2,0,0]=4 1392 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [1,1,0,0,0,0|2,0,0]=4 1393 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [1,1,0,0,0,0|2,0,0]=4 1394 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [1,1,0,0,0,0|2,0,0]=4 1395 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [1,1,0,0,0,0|2,0,0]=4 1396 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [1,1,0,0,0,0|2,0,0]=4 1397 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [1,1,0,0,0,0|2,0,0]=4 1398 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [1,1,0,0,0,0|2,0,0]=4 1399 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [1,1,0,0,0,0|2,0,0]=4 1401 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.113 c1cnc(cc1Cl)C(=O)Cl TS09691 [1,1,0,0,0,0|2,0,0]=4 1403 B10R1.113 c1cnc(cc1Cl)C(=O)N TS09686 [1,1,0,0,0,0|2,0,0]=4 1404 B10R1.113 c1cnc(cc1Cl)C(=O)O TS09687 [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.113 c1cnc(cc1F)C(=O)O TS09128 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.113 c1cnc(cc1I)C(=O)O TS88205 [1,1,0,0,0,0|2,0,0]=4 1407 B10R1.113 c1cnc(cc1N)C(=O)O TS88808 [1,1,0,0,0,0|2,0,0]=4 1408 B10R1.113 c1cnc(cc1O)C(=O)O TS03133 [1,1,0,0,0,0|2,0,0]=4 1409 B10R1.113 c1coc(cc1=O)C(=O)O TS37334 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.1 CCCc1ccc(cc1)Br TS54164 [1,1,0,0,0,0|0,0,1]=3 1411 B10R1.1 CCCc1ccc(cc1)C TS05929 [1,1,0,0,0,0|0,0,1]=3 1412 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [1,1,0,0,0,0|0,0,1]=3 1413 B10R1.1 CCCc1ccc(cc1)F TS07665 [1,1,0,0,0,0|0,0,1]=3 1414 B10R1.1 CCCc1ccc(cc1)I TS27402 [1,1,0,0,0,0|0,0,1]=3 1415 B10R1.1 CCCc1ccc(cc1)N TS36955 [1,1,0,0,0,0|0,0,1]=3 1416 B10R1.1 CCCc1ccc(cc1)O TS06088 [1,1,0,0,0,0|0,0,1]=3 1417 B10R1.1 CCNc1ccc(cc1)C TS36952 [1,1,0,0,0,0|1,0,0]=3 1418 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [1,1,0,0,0,0|1,0,0]=3 1419 B10R1.1 CCOc1ccc(cc1)Br TS38042 [1,1,0,0,0,0|1,0,0]=3 1420 B10R1.1 CCOc1ccc(cc1)C TS06082 [1,1,0,0,0,0|1,0,0]=3 1421 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [1,1,0,0,0,0|1,0,0]=3 1422 B10R1.1 CCOc1ccc(cc1)F TS37363 [1,1,0,0,0,0|1,0,0]=3 1423 B10R1.1 CCOc1ccc(cc1)I TS59517 [1,1,0,0,0,0|1,0,0]=3 1424 B10R1.1 CCOc1ccc(cc1)N TS33162 [1,1,0,0,0,0|1,0,0]=3 1425 B10R1.1 CCOc1ccc(cc1)N TS45702 [1,1,0,0,0,0|1,0,0]=3 1426 B10R1.1 CCOc1ccc(cc1)O TS06257 [1,1,0,0,0,0|1,0,0]=3 1427 B10R1.1 CCOc1ccc(cn1)Br TS71417 [1,1,0,0,0,0|2,0,0]=4 1428 B10R1.1 CCOc1ccc(cn1)N TS37183 [1,1,0,0,0,0|2,0,0]=4 1429 B10R1.1 CCOc1ccc(nc1)Br TS19313 [1,1,0,0,0,0|2,0,0]=4 1430 B10R1.1 CCOc1ccc(nc1)Cl TS10915 [1,1,0,0,0,0|2,0,0]=4 1431 B10R1.1 CCOc1ccn(=O)cc1 TS06374 [1,1,0,0,0,0|2,0,0]=4 1432 B10R1.1 CCSc1ccc(cc1)Br TS49222 [1,1,0,0,0,0|1,0,0]=3 1433 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [1,1,0,0,0,0|1,0,0]=3 1434 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [1,1,0,0,0,0|1,0,1]=4 1435 B10R1.1 COCc1ccc(cc1)F TS37375 [1,1,0,0,0,0|1,0,1]=4 1436 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [1,1,0,0,0,0|1,0,1]=4 1437 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [1,1,0,0,0,0|2,0,0]=4 1438 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [1,1,0,0,0,0|1,0,1]=4 1439 B10R1.1 Cc1ccc(cc1)CCN TS36945 [1,1,0,0,0,0|1,0,1]=4 1440 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,1,0,0,0,0|1,0,1]=4 1441 B10R1.1 Cc1ccc(cc1)CNC TS01603 [1,1,0,0,0,0|1,0,1]=4 1442 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [1,1,0,0,0,0|2,0,0]=4 1443 B10R1.1 c1cc(ccc1C=NO)Cl TS09010 [1,1,0,0,0,0|2,0,0]=4 1444 B10R1.1 c1cc(ccc1C=NO)F TS37276 [1,1,0,0,0,0|2,0,0]=4 1445 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [1,1,0,0,0,0|1,0,1]=4 1446 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [1,1,0,0,0,0|1,0,1]=4 1447 B10R1.1 c1cc(ccc1CCBr)F TS38380 [1,1,0,0,0,0|1,0,1]=4 1448 B10R1.1 c1cc(ccc1CCBr)O TS38051 [1,1,0,0,0,0|1,0,1]=4 1449 B10R1.1 c1cc(ccc1CCCl)F TS11092 [1,1,0,0,0,0|1,0,1]=4 1450 B10R1.1 c1cc(ccc1CCN)Br TS34272 [1,1,0,0,0,0|1,0,1]=4 1451 B10R1.1 c1cc(ccc1CCN)Br TS71000 [1,1,0,0,0,0|1,0,1]=4 1452 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [1,1,0,0,0,0|1,0,1]=4 1453 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [1,1,0,0,0,0|1,0,1]=4 1454 B10R1.1 c1cc(ccc1CCN)F TS03097 [1,1,0,0,0,0|1,0,1]=4 1455 B10R1.1 c1cc(ccc1CCN)F TS13760 [1,1,0,0,0,0|1,0,1]=4 1456 B10R1.1 c1cc(ccc1CCN)I TS27555 [1,1,0,0,0,0|1,0,1]=4 1457 B10R1.1 c1cc(ccc1CCN)N TS09521 [1,1,0,0,0,0|1,0,1]=4 1458 B10R1.1 c1cc(ccc1CCN)N TS37024 [1,1,0,0,0,0|1,0,1]=4 1459 B10R1.1 c1cc(ccc1CCN)O TS01822 [1,1,0,0,0,0|1,0,1]=4 1460 B10R1.1 c1cc(ccc1CCN)O TS39727 [1,1,0,0,0,0|1,0,1]=4 1461 B10R1.1 c1cc(ccc1CCO)Br TS16460 [1,1,0,0,0,0|1,0,1]=4 1462 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [1,1,0,0,0,0|1,0,1]=4 1463 B10R1.1 c1cc(ccc1CCO)F TS39509 [1,1,0,0,0,0|1,0,1]=4 1464 B10R1.1 c1cc(ccc1CCO)N TS39616 [1,1,0,0,0,0|1,0,1]=4 1465 B10R1.1 c1cc(ccc1CCO)O TS47066 [1,1,0,0,0,0|1,0,1]=4 1466 B10R1.4 CC=Cc1ccccc1O TS36834 [1,1,0,0,0,0|0,0,1]=3 1467 B10R1.4 CCCc1ccccc1C TS05927 [1,1,0,0,0,0|0,0,1]=3 1468 B10R1.4 CCCc1ccccc1N TS36961 [1,1,0,0,0,0|0,0,1]=3 1469 B10R1.4 CCCc1ccccc1O TS06077 [1,1,0,0,0,0|0,0,1]=3 1470 B10R1.4 CCCn1ccccc1=O TS37115 [1,1,0,0,0,0|1,0,1]=4 1471 B10R1.4 CCNc1ccccc1C TS06011 [1,1,0,0,0,0|1,0,0]=3 1472 B10R1.4 CCNc1ccccc1F TS37294 [1,1,0,0,0,0|1,0,0]=3 1473 B10R1.4 CCOc1c(cccn1)Br TS19321 [1,1,0,0,0,0|2,0,0]=4 1474 B10R1.4 CCOc1c(cccn1)I TS27857 [1,1,0,0,0,0|2,0,0]=4 1475 B10R1.4 CCOc1ccccc1Br TS39657 [1,1,0,0,0,0|1,0,0]=3 1476 B10R1.4 CCOc1ccccc1Cl TS41727 [1,1,0,0,0,0|1,0,0]=3 1477 B10R1.4 CCOc1ccccc1F TS37374 [1,1,0,0,0,0|1,0,0]=3 1478 B10R1.4 CCOc1ccccc1N TS37118 [1,1,0,0,0,0|1,0,0]=3 1479 B10R1.4 CCOc1ccccc1N TS45700 [1,1,0,0,0,0|1,0,0]=3 1480 B10R1.4 CCOc1ccccc1O TS06253 [1,1,0,0,0,0|1,0,0]=3 1481 B10R1.4 CCOc1ccccc1S TS41408 [1,1,0,0,0,0|1,0,0]=3 1482 B10R1.4 CCOc1cccnc1Br TS19312 [1,1,0,0,0,0|2,0,0]=4 1483 B10R1.4 CCOc1cccnc1N TS37190 [1,1,0,0,0,0|2,0,0]=4 1484 B10R1.4 CCOc1ccncc1Br TS19320 [1,1,0,0,0,0|2,0,0]=4 1485 B10R1.4 CCOc1ccncc1N TS37196 [1,1,0,0,0,0|2,0,0]=4 1486 B10R1.4 CCOc1cnccc1Br TS38195 [1,1,0,0,0,0|2,0,0]=4 1487 B10R1.4 CCSc1ccccc1Br TS49221 [1,1,0,0,0,0|1,0,0]=3 1488 B10R1.4 CCSc1ccccc1O TS41412 [1,1,0,0,0,0|1,0,0]=3 1489 B10R1.4 CNCc1ccccc1Cl TS56333 [1,1,0,0,0,0|1,0,1]=4 1490 B10R1.4 CNCc1ccccc1O TS45699 [1,1,0,0,0,0|1,0,1]=4 1491 B10R1.4 COCc1ccccc1F TS37369 [1,1,0,0,0,0|1,0,1]=4 1492 B10R1.4 Cc1ccccc1CCBr TS54167 [1,1,0,0,0,0|1,0,1]=4 1493 B10R1.4 Cc1ccccc1CCO TS37017 [1,1,0,0,0,0|1,0,1]=4 1494 B10R1.4 Cc1ccccc1CNC TS36965 [1,1,0,0,0,0|1,0,1]=4 1495 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.4 c1ccc(c(c1)C=NO)Br TS18942 [1,1,0,0,0,0|2,0,0]=4 1497 B10R1.4 c1ccc(c(c1)C=NO)Cl TS10612 [1,1,0,0,0,0|2,0,0]=4 1498 B10R1.4 c1ccc(c(c1)C=NO)F TS37272 [1,1,0,0,0,0|2,0,0]=4 1499 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [1,1,0,0,0,0|2,0,0]=4 1500 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [1,1,0,0,0,0|1,0,1]=4 1501 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [1,1,0,0,0,0|1,0,1]=4 1502 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [1,1,0,0,0,0|1,0,1]=4 1503 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [1,1,0,0,0,0|1,0,1]=4 1504 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [1,1,0,0,0,0|1,0,1]=4 1505 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [1,1,0,0,0,0|1,0,1]=4 1506 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [1,1,0,0,0,0|1,0,1]=4 1507 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [1,1,0,0,0,0|1,0,1]=4 1508 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [1,1,0,0,0,0|1,0,1]=4 1509 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [1,1,0,0,0,0|1,0,1]=4 1510 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [1,1,0,0,0,0|1,0,1]=4 1511 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [1,1,0,0,0,0|1,0,1]=4 1512 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [1,1,0,0,0,0|1,0,1]=4 1513 B10R1.10 CCCc1cccc(c1)C TS36863 [1,1,0,0,0,0|0,0,1]=3 1514 B10R1.10 CCCc1cccc(c1)O TS70692 [1,1,0,0,0,0|0,0,1]=3 1515 B10R1.10 CCCc1cccc(n1)N TS55636 [1,1,0,0,0,0|1,0,1]=4 1516 B10R1.10 CCCc1ccnc(c1)N TS06105 [1,1,0,0,0,0|1,0,1]=4 1517 B10R1.10 CCNc1cccc(c1)C TS06008 [1,1,0,0,0,0|1,0,0]=3 1518 B10R1.10 CCOc1cc(ccn1)Br TS39324 [1,1,0,0,0,0|2,0,0]=4 1519 B10R1.10 CCOc1cc(ccn1)N TS39272 [1,1,0,0,0,0|2,0,0]=4 1520 B10R1.10 CCOc1cc(cnc1)Br TS32931 [1,1,0,0,0,0|2,0,0]=4 1521 B10R1.10 CCOc1cccc(c1)Br TS65957 [1,1,0,0,0,0|1,0,0]=3 1522 B10R1.10 CCOc1cccc(c1)C TS06098 [1,1,0,0,0,0|1,0,0]=3 1523 B10R1.10 CCOc1cccc(c1)F TS37372 [1,1,0,0,0,0|1,0,0]=3 1524 B10R1.10 CCOc1cccc(c1)N TS37121 [1,1,0,0,0,0|1,0,0]=3 1525 B10R1.10 CCOc1cccc(c1)O TS06261 [1,1,0,0,0,0|1,0,0]=3 1526 B10R1.10 CCOc1cccc(c1)S TS41409 [1,1,0,0,0,0|1,0,0]=3 1527 B10R1.10 CCOc1cccc(n1)Br TS19319 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.10 CCOc1cccc(n1)Cl TS41836 [1,1,0,0,0,0|2,0,0]=4 1529 B10R1.10 CCOc1cccc(n1)N TS37195 [1,1,0,0,0,0|2,0,0]=4 1530 B10R1.10 CCOc1ccnc(c1)Cl TS10912 [1,1,0,0,0,0|2,0,0]=4 1531 B10R1.10 CCOc1ccnc(c1)F TS06579 [1,1,0,0,0,0|2,0,0]=4 1532 B10R1.10 CCOc1ccnc(c1)N TS06274 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.10 CNCc1cccc(c1)Cl TS08974 [1,1,0,0,0,0|1,0,1]=4 1534 B10R1.10 CNCc1cccc(c1)N TS37043 [1,1,0,0,0,0|1,0,1]=4 1535 B10R1.10 COCc1cccc(c1)F TS37370 [1,1,0,0,0,0|1,0,1]=4 1536 B10R1.10 Cc1cccc(c1)CCBr TS54163 [1,1,0,0,0,0|1,0,1]=4 1537 B10R1.10 Cc1cccc(c1)CCN TS45399 [1,1,0,0,0,0|1,0,1]=4 1538 B10R1.10 Cc1cccc(c1)CCN TS70669 [1,1,0,0,0,0|1,0,1]=4 1539 B10R1.10 Cc1cccc(c1)CCO TS37008 [1,1,0,0,0,0|1,0,1]=4 1540 B10R1.10 Cc1cccc(c1)CNC TS36964 [1,1,0,0,0,0|1,0,1]=4 1541 B10R1.10 c1cc(cc(c1)Br)C=NO TS18932 [1,1,0,0,0,0|2,0,0]=4 1542 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [1,1,0,0,0,0|1,0,1]=4 1543 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [1,1,0,0,0,0|1,0,1]=4 1544 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [1,1,0,0,0,0|1,0,1]=4 1545 B10R1.10 c1cc(cc(c1)Cl)C=NO TS16733 [1,1,0,0,0,0|2,0,0]=4 1546 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [1,1,0,0,0,0|1,0,1]=4 1547 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [1,1,0,0,0,0|1,0,1]=4 1548 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [1,1,0,0,0,0|1,0,1]=4 1549 B10R1.10 c1cc(cc(c1)F)C=NO TS37269 [1,1,0,0,0,0|2,0,0]=4 1550 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [1,1,0,0,0,0|1,0,1]=4 1551 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [1,1,0,0,0,0|1,0,1]=4 1552 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [1,1,0,0,0,0|1,0,1]=4 1553 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [1,1,0,0,0,0|1,0,1]=4 1554 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [1,1,0,0,0,0|1,0,1]=4 1555 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [1,1,0,0,0,0|1,0,1]=4 1556 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [1,1,0,0,0,0|1,0,1]=4 1557 B10R1.17 C#CCCc1ccccc1 TS36511 [1,1,0,0,0,0|0,0,2]=4 1558 B10R1.17 C#CCOc1ccccc1 TS36668 [1,1,0,0,0,0|1,0,1]=4 1559 B10R1.17 C#CCSc1ccccc1 TS07496 [1,1,0,0,0,0|1,0,1]=4 1560 B10R1.17 C=CC=Cc1ccccc1 TS36510 [1,1,0,0,0,0|0,0,2]=4 1561 B10R1.17 C=CCCc1ccccc1 TS36707 [1,1,0,0,0,0|0,0,2]=4 1562 B10R1.17 C=CCNc1ccccc1 TS05848 [1,1,0,0,0,0|1,0,1]=4 1563 B10R1.17 C=CCOc1ccccc1 TS36847 [1,1,0,0,0,0|1,0,1]=4 1564 B10R1.17 C=CCSc1ccccc1 TS40921 [1,1,0,0,0,0|1,0,1]=4 1565 B10R1.17 CC=CCc1ccccc1 TS36709 [1,1,0,0,0,0|0,0,1]=3 1566 B10R1.17 CCC#Cc1ccccc1 TS36516 [1,1,0,0,0,0|0,0,1]=3 1567 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,1,0,0,0,0|0,0,0]=2 1568 B10R1.17 CCCC[n+]1ccccc1 TS21989 [1,1,0,0,0,0|1,0,1]=4 1569 B10R1.17 CCCC[n+]1ccccc1 TS45400 [1,1,0,0,0,0|1,0,1]=4 1570 B10R1.17 CCCCc1ccccc1 TS36870 [1,1,0,0,0,0|0,0,1]=3 1571 B10R1.17 CCCCc1ccccn1 TS06002 [1,1,0,0,0,0|1,0,1]=4 1572 B10R1.17 CCCCc1cccnc1 TS06012 [1,1,0,0,0,0|1,0,1]=4 1573 B10R1.17 CCCCc1ccncc1 TS06014 [1,1,0,0,0,0|1,0,1]=4 1574 B10R1.17 CCCNc1ccccc1 TS36942 [1,1,0,0,0,0|0,0,1]=3 1575 B10R1.17 CCCOc1ccccc1 TS37010 [1,1,0,0,0,0|0,0,1]=3 1576 B10R1.17 CCCSc1ccccc1 TS41194 [1,1,0,0,0,0|0,0,1]=3 1577 B10R1.17 CCN=Cc1ccccc1 TS05847 [1,1,0,0,0,0|0,0,0]=2 1578 B10R1.17 CCNCc1ccccc1 TS06015 [1,1,0,0,0,0|0,0,1]=3 1579 B10R1.17 CCNCc1ccncc1 TS37037 [1,1,0,0,0,0|1,0,1]=4 1580 B10R1.17 CCOCc1ccccc1 TS37009 [1,1,0,0,0,0|0,0,1]=3 1581 B10R1.17 CCSCc1ccccc1 TS41200 [1,1,0,0,0,0|0,0,1]=3 1582 B10R1.17 CNCCc1ccccc1 TS01606 [1,1,0,0,0,0|0,0,1]=3 1583 B10R1.17 CNCCc1ccccn1 TS37041 [1,1,0,0,0,0|1,0,1]=4 1584 B10R1.17 CNCCc1ccccn1 TS63536 [1,1,0,0,0,0|1,0,1]=4 1585 B10R1.17 CNCCc1ccccn1 TS65180 [1,1,0,0,0,0|1,0,1]=4 1586 B10R1.17 CNCCc1cccnc1 TS08004 [1,1,0,0,0,0|1,0,1]=4 1587 B10R1.17 CNCCc1ccncc1 TS37035 [1,1,0,0,0,0|1,0,1]=4 1588 B10R1.17 COC=Cc1ccccc1 TS36842 [1,1,0,0,0,0|0,0,1]=3 1589 B10R1.17 COC=Nc1ccccc1 TS36922 [1,1,0,0,0,0|1,0,0]=3 1590 B10R1.17 COCCc1ccccc1 TS06081 [1,1,0,0,0,0|0,0,1]=3 1591 B10R1.17 COCCc1ccccn1 TS06192 [1,1,0,0,0,0|1,0,1]=4 1592 B10R1.17 COCOc1ccccc1 TS06260 [1,1,0,0,0,0|1,0,0]=3 1593 B10R1.17 COCOc1cccnc1 TS06375 [1,1,0,0,0,0|2,0,0]=4 1594 B10R1.17 COCSc1ccccc1 TS10468 [1,1,0,0,0,0|1,0,0]=3 1595 B10R1.17 CSCOc1ccccc1 TS10467 [1,1,0,0,0,0|1,0,0]=3 1596 B10R1.17 CSSCc1ccccc1 TS12900 [1,1,0,0,0,0|1,0,1]=4 1597 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [1,1,0,0,0,0|0,0,2]=4 1598 B10R1.17 c1cc(cnc1)C=CCCl TS12428 [1,1,0,0,0,0|1,0,1]=4 1599 B10R1.17 c1cc(cnc1)CCCO TS37116 [1,1,0,0,0,0|1,0,1]=4 1600 B10R1.17 c1ccc(cc1)C#CCCl TS09975 [1,1,0,0,0,0|0,0,2]=4 1601 B10R1.17 c1ccc(cc1)C#CCN TS05672 [1,1,0,0,0,0|0,0,2]=4 1602 B10R1.17 c1ccc(cc1)C#CCO TS36664 [1,1,0,0,0,0|0,0,2]=4 1603 B10R1.17 c1ccc(cc1)C=CC#N TS05462 [1,1,0,0,0,0|0,0,2]=4 1604 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [1,1,0,0,0,0|0,0,2]=4 1605 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [1,1,0,0,0,0|0,0,1]=3 1606 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [1,1,0,0,0,0|0,0,1]=3 1607 B10R1.17 c1ccc(cc1)C=CCO TS36831 [1,1,0,0,0,0|0,0,1]=3 1608 B10R1.17 c1ccc(cc1)CCC#N TS56176 [1,1,0,0,0,0|0,0,2]=4 1609 B10R1.17 c1ccc(cc1)CCC=O TS01796 [1,1,0,0,0,0|0,0,2]=4 1610 B10R1.17 c1ccc(cc1)CCCCl TS41470 [1,1,0,0,0,0|0,0,1]=3 1611 B10R1.17 c1ccc(cc1)CCCN TS36954 [1,1,0,0,0,0|0,0,1]=3 1612 B10R1.17 c1ccc(cc1)CCCO TS37013 [1,1,0,0,0,0|0,0,1]=3 1613 B10R1.17 c1ccc(cc1)CCCS TS41196 [1,1,0,0,0,0|0,0,1]=3 1614 B10R1.17 c1ccc(cc1)CCNN TS06106 [1,1,0,0,0,0|1,0,1]=4 1615 B10R1.17 c1ccc(cc1)COCCl TS39818 [1,1,0,0,0,0|1,0,1]=4 1616 B10R1.17 c1ccc(cc1)CSCBr TS22173 [1,1,0,0,0,0|1,0,1]=4 1617 B10R1.17 c1ccc(cc1)CSCCl TS13275 [1,1,0,0,0,0|1,0,1]=4 1618 B10R1.17 c1ccc(cc1)NCCN TS37036 [1,1,0,0,0,0|1,0,0]=3 1619 B10R1.17 c1ccc(cc1)NCCO TS37110 [1,1,0,0,0,0|1,0,0]=3 1620 B10R1.17 c1ccc(cc1)OCC=O TS36991 [1,1,0,0,0,0|1,0,1]=4 1621 B10R1.17 c1ccc(cc1)OCCBr TS55768 [1,1,0,0,0,0|1,0,0]=3 1622 B10R1.17 c1ccc(cc1)OCCCl TS10798 [1,1,0,0,0,0|1,0,0]=3 1623 B10R1.17 c1ccc(cc1)OCCN TS65630 [1,1,0,0,0,0|1,0,0]=3 1624 B10R1.17 c1ccc(cc1)OCCO TS06243 [1,1,0,0,0,0|1,0,0]=3 1625 B10R1.17 c1ccc(cc1)SCC#N TS40766 [1,1,0,0,0,0|1,0,1]=4 1626 B10R1.17 c1ccc(cc1)SCCBr TS49223 [1,1,0,0,0,0|1,0,0]=3 1627 B10R1.17 c1ccc(cc1)SCCCl TS13277 [1,1,0,0,0,0|1,0,0]=3 1628 B10R1.17 c1ccc(cc1)SCCO TS10471 [1,1,0,0,0,0|1,0,0]=3 1629 B10R1.17 c1ccnc(c1)CCCCl TS10631 [1,1,0,0,0,0|1,0,1]=4 1630 B10R1.17 c1ccnc(c1)CCCO TS02471 [1,1,0,0,0,0|1,0,1]=4 1631 B10R1.17 c1ccnc(c1)NCCO TS45873 [1,1,0,0,0,0|2,0,0]=4 1632 B10R1.17 c1ccnc(c1)SCCO TS10597 [1,1,0,0,0,0|2,0,0]=4 1633 B10R1.17 c1cnccc1CCCN TS37023 [1,1,0,0,0,0|1,0,1]=4 1634 B10R1.17 c1cnccc1CCCO TS37120 [1,1,0,0,0,0|1,0,1]=4 1635 B10R1.17 c1cnccc1NCCN TS45706 [1,1,0,0,0,0|2,0,0]=4 1636 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [1,1,0,0,0,0|0,0,2]=4 1637 B10R1.18 CC(=Cc1ccccc1)C TS36699 [1,1,0,0,0,0|0,0,1]=3 1638 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [1,1,0,0,0,0|0,0,2]=4 1639 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [1,1,0,0,0,0|1,0,1]=4 1640 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [1,1,0,0,0,0|1,0,1]=4 1641 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [1,1,0,0,0,0|1,0,1]=4 1642 B10R1.18 CC(C)Cc1ccccc1 TS74509 [1,1,0,0,0,0|0,0,1]=3 1643 B10R1.18 CC(C)Cc1ccccn1 TS36960 [1,1,0,0,0,0|1,0,1]=4 1644 B10R1.18 CC(C)Cc1cccnc1 TS06005 [1,1,0,0,0,0|1,0,1]=4 1645 B10R1.18 CC(C)Cc1ccncc1 TS06006 [1,1,0,0,0,0|1,0,1]=4 1646 B10R1.18 CC(C)Nc1ccccc1 TS56404 [1,1,0,0,0,0|1,0,0]=3 1647 B10R1.18 CC(C)Nc1cccnc1 TS64905 [1,1,0,0,0,0|2,0,0]=4 1648 B10R1.18 CC(C)Nc1ccncc1 TS64906 [1,1,0,0,0,0|2,0,0]=4 1649 B10R1.18 CC(C)Sc1ccccc1 TS41201 [1,1,0,0,0,0|1,0,0]=3 1650 B10R1.18 CC(Cc1ccccc1)Br TS55076 [1,1,0,0,0,0|0,0,1]=3 1651 B10R1.18 CC(Cc1ccccc1)N TS06010 [1,1,0,0,0,0|0,0,1]=3 1652 B10R1.18 CC(Cc1ccccc1)O TS47018 [1,1,0,0,0,0|0,0,1]=3 1653 B10R1.18 CC(Cc1ccccn1)N TS46983 [1,1,0,0,0,0|1,0,1]=4 1654 B10R1.18 CC(Cc1cccnc1)N TS00050 [1,1,0,0,0,0|1,0,1]=4 1655 B10R1.18 CN(C)Cc1ccccc1 TS06009 [1,1,0,0,0,0|1,0,1]=4 1656 B10R1.18 CN(C)Cc1ccccc1 TS45394 [1,1,0,0,0,0|1,0,1]=4 1657 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [1,1,0,0,0,0|1,0,1]=4 1658 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [1,1,0,0,0,0|0,0,1]=3 1659 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [1,1,0,0,0,0|0,0,1]=3 1660 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [1,1,0,0,0,0|0,1,1]=4 1661 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [1,1,0,0,0,0|2,0,0]=4 1662 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [1,1,0,0,0,0|1,1,0]=4 1663 B10R1.11 CCCC(=O)c1ccco1 TS06270 [0,1,0,0,1,0|1,0,0]=3 1664 B10R1.11 CCCC(=O)c1cccs1 TS10473 [0,1,0,0,1,0|1,0,0]=3 1665 B10R1.11 CCCC(=O)n1ccnc1 TS37197 [0,1,0,0,1,0|2,0,0]=4 1666 B10R1.11 CCOC(=O)c1[nH]ccn1 TS64891 [0,1,0,0,1,0|2,0,0]=4 1667 B10R1.11 CCOC(=O)c1c[nH]cn1 TS55896 [0,1,0,0,1,0|2,0,0]=4 1668 B10R1.11 CCOC(=O)c1c[nH]nc1 TS55948 [0,1,0,0,1,0|2,0,0]=4 1669 B10R1.11 CCOC(=O)c1cc[nH]n1 TS56156 [0,1,0,0,1,0|2,0,0]=4 1670 B10R1.11 CCOC(=O)c1ccc[nH]1 TS55898 [0,1,0,0,1,0|1,0,0]=3 1671 B10R1.11 CCOC(=O)c1ccco1 TS06431 [0,1,0,0,1,0|1,0,0]=3 1672 B10R1.11 CCOC(=O)c1cccs1 TS74499 [0,1,0,0,1,0|1,0,0]=3 1673 B10R1.11 CCOC(=O)c1ccoc1 TS06430 [0,1,0,0,1,0|1,0,0]=3 1674 B10R1.11 CCOC(=O)c1ccon1 TS86639 [0,1,0,0,1,0|2,0,0]=4 1675 B10R1.11 CCOC(=O)c1ccsc1 TS41625 [0,1,0,0,1,0|1,0,0]=3 1676 B10R1.11 CCOC(=O)c1cnco1 TS64893 [0,1,0,0,1,0|2,0,0]=4 1677 B10R1.11 CCOC(=O)c1cncs1 TS55510 [0,1,0,0,1,0|2,0,0]=4 1678 B10R1.11 CCOC(=O)c1cnoc1 TS06571 [0,1,0,0,1,0|2,0,0]=4 1679 B10R1.11 CCOC(=O)c1cocn1 TS06565 [0,1,0,0,1,0|2,0,0]=4 1680 B10R1.11 CCOC(=O)c1cscn1 TS01480 [0,1,0,0,1,0|2,0,0]=4 1681 B10R1.11 CCOC(=O)c1ncco1 TS06570 [0,1,0,0,1,0|2,0,0]=4 1682 B10R1.11 CCOC(=O)n1ccnc1 TS37348 [0,1,0,0,1,0|2,0,0]=4 1683 B10R1.11 c1cc(oc1)C(=O)CC#N TS05974 [0,1,0,0,1,0|1,0,1]=4 1684 B10R1.11 c1cc(sc1)C(=O)CC#N TS10061 [0,1,0,0,1,0|1,0,1]=4 1685 B10R1.11 c1cc(sc1)C(=O)CC#N TS45765 [0,1,0,0,1,0|1,0,1]=4 1686 B10R1.11 c1cscc1C(=O)CC#N TS86030 [0,1,0,0,1,0|1,0,1]=4 1687 B10R1.14 CCC(=O)c1ccc(o1)C TS06262 [0,1,0,0,1,0|1,0,0]=3 1688 B10R1.14 COC(=O)c1cc(c[nH]1)Br TS56284 [0,1,0,0,1,0|2,0,0]=4 1689 B10R1.14 COC(=O)c1cc(c[nH]1)I TS28133 [0,1,0,0,1,0|2,0,0]=4 1690 B10R1.14 COC(=O)c1cc(cs1)Br TS87681 [0,1,0,0,1,0|2,0,0]=4 1691 B10R1.14 COC(=O)c1cc(cs1)Cl TS89093 [0,1,0,0,1,0|2,0,0]=4 1692 B10R1.14 COC(=O)c1cc(cs1)N TS65120 [0,1,0,0,1,0|2,0,0]=4 1693 B10R1.14 COC(=O)c1cc(sc1)Br TS88321 [0,1,0,0,1,0|2,0,0]=4 1694 B10R1.14 COC(=O)c1cc(sc1)Cl TS90596 [0,1,0,0,1,0|2,0,0]=4 1695 B10R1.14 COC(=O)c1ccc(o1)Br TS56303 [0,1,0,0,1,0|2,0,0]=4 1696 B10R1.14 COC(=O)c1ccc(s1)Br TS89180 [0,1,0,0,1,0|2,0,0]=4 1697 B10R1.14 Cc1cc([nH]c1)C(=O)OC TS02309 [0,1,0,0,1,0|2,0,0]=4 1698 B10R1.14 Cc1cc(co1)C(=O)OC TS01149 [0,1,0,0,1,0|2,0,0]=4 1699 B10R1.14 Cc1cc(sc1)C(=O)OC TS10694 [0,1,0,0,1,0|2,0,0]=4 1700 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [0,1,0,0,1,0|2,0,0]=4 1701 B10R1.14 c1cc(sc1C(=O)CBr)Br TS00842 [0,1,0,0,1,0|2,0,0]=4 1702 B10R1.14 c1cc(sc1C(=O)CBr)Cl TS59946 [0,1,0,0,1,0|2,0,0]=4 1703 B10R1.14 c1cc(sc1C(=O)CCl)Br TS26406 [0,1,0,0,1,0|2,0,0]=4 1704 B10R1.23 CC(C(=O)c1cccs1)Br TS49560 [0,1,0,0,1,0|1,0,0]=3 1705 B10R1.23 CN(C(=O)c1ccco1)O TS37472 [0,1,0,0,1,0|2,0,0]=4 1706 B10R1.23 c1cc(oc1)C(=O)C(O)O TS00444 [0,1,0,0,1,0|2,0,0]=4 1707 B10R1.149 COC(=O)c1c(cc[nH]1)Br TS92650 [0,1,0,0,1,0|2,0,0]=4 1708 B10R1.149 COC(=O)c1c(cc[nH]1)Cl TS91006 [0,1,0,0,1,0|2,0,0]=4 1709 B10R1.149 COC(=O)c1c(cco1)N TS89296 [0,1,0,0,1,0|2,0,0]=4 1710 B10R1.149 COC(=O)c1c(ccs1)Br TS56270 [0,1,0,0,1,0|2,0,0]=4 1711 B10R1.149 COC(=O)c1c(ccs1)Cl TS46190 [0,1,0,0,1,0|2,0,0]=4 1712 B10R1.149 COC(=O)c1c(ccs1)N TS08569 [0,1,0,0,1,0|2,0,0]=4 1713 B10R1.149 COC(=O)c1c(ccs1)O TS10959 [0,1,0,0,1,0|2,0,0]=4 1714 B10R1.149 COC(=O)c1cccn1N TS37356 [0,1,0,0,1,0|2,0,0]=4 1715 B10R1.149 COC(=O)c1ccsc1N TS08550 [0,1,0,0,1,0|2,0,0]=4 1716 B10R1.149 COC(=O)c1cscc1N TS41782 [0,1,0,0,1,0|2,0,0]=4 1717 B10R1.149 COC(=O)c1cscc1N TS56281 [0,1,0,0,1,0|2,0,0]=4 1718 B10R1.149 Cc1c(cco1)C(=O)OC TS06434 [0,1,0,0,1,0|2,0,0]=4 1719 B10R1.149 Cc1c(ccs1)C(=O)OC TS39900 [0,1,0,0,1,0|2,0,0]=4 1720 B10R1.149 Cc1cc[nH]c1C(=O)OC TS89995 [0,1,0,0,1,0|2,0,0]=4 1721 B10R1.149 Cc1ccoc1C(=O)OC TS06432 [0,1,0,0,1,0|2,0,0]=4 1722 B10R1.149 Cc1ccsc1C(=O)OC TS56278 [0,1,0,0,1,0|2,0,0]=4 1723 B10R1.149 Cn1cccc1C(=O)OC TS37280 [0,1,0,0,1,0|2,0,0]=4 1724 B10R1.149 c1csc(c1Br)C(=O)CBr TS34687 [0,1,0,0,1,0|2,0,0]=4 1725 B12R1.32 C=COC(=O)Cc1ccccc1 TS11548 [0,1,0,0,0,1|0,0,2]=4 1726 B12R1.32 CCCC(=O)Cc1ccccc1 TS11593 [0,1,0,0,0,1|0,0,0]=2 1727 B12R1.32 CCCC(C)Cc1ccccc1 TS11628 [0,1,0,0,0,1|1,0,1]=4 1728 B12R1.32 CCNC(=O)Nc1ccccc1 TS42766 [0,1,0,0,0,1|0,0,0]=2 1729 B12R1.32 CCNC(=S)Nc1ccccc1 TS14654 [0,1,0,0,0,1|0,1,0]=3 1730 B12R1.32 CCNC(C)Cc1ccccc1 TS11746 [0,1,0,0,0,1|1,0,1]=4 1731 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS19281 [0,1,0,0,0,1|1,0,0]=3 1732 B12R1.32 CCOC(=O)C[n+]1ccccc1 TS27413 [0,1,0,0,0,1|1,0,0]=3 1733 B12R1.32 CCOC(=O)Cc1ccccc1 TS64894 [0,1,0,0,0,1|0,0,0]=2 1734 B12R1.32 CCOC(=O)Cc1ccccn1 TS08500 [0,1,0,0,0,1|1,0,0]=3 1735 B12R1.32 CCOC(=O)Cc1cccnc1 TS55929 [0,1,0,0,0,1|1,0,0]=3 1736 B12R1.32 CCOC(=O)Cc1ccncc1 TS01476 [0,1,0,0,0,1|1,0,0]=3 1737 B12R1.32 CCOC(=O)Cc1ncccn1 TS86697 [0,1,0,0,0,1|2,0,0]=4 1738 B12R1.32 CCOC(=O)Nc1ccccc1 TS42904 [0,1,0,0,0,1|0,0,0]=2 1739 B12R1.32 CCSC(=S)Nc1ccccn1 TS18710 [0,1,0,0,0,1|1,1,0]=4 1740 B12R1.32 CN(CCN)Cc1ccccc1 TS64933 [0,1,0,0,0,1|2,0,0]=4 1741 B12R1.32 CN(CCO)Cc1ccccc1 TS42946 [0,1,0,0,0,1|2,0,0]=4 1742 B12R1.32 CNCC(=O)Cc1ccccc1 TS37811 [0,1,0,0,0,1|0,0,0]=2 1743 B12R1.32 COC[C@H](Cc1ccccc1)N TS38188 [0,1,0,0,0,1|1,0,1]=4 1744 B12R1.32 c1ccc(cc1)CC(=O)CC#N TS11139 [0,1,0,0,0,1|0,0,1]=3 1745 B12R1.32 c1ccc(cc1)NC(=O)C=NO TS11840 [0,1,0,0,0,1|1,0,1]=4 1746 B12R1.32 c1ccc(cc1)NC(=O)CC#N TS11249 [0,1,0,0,0,1|0,0,1]=3 1747 B12R1.32 c1ccc(cc1)NC(=O)CCCl TS48485 [0,1,0,0,0,1|0,0,0]=2 1748 B12R1.32 c1ccc(cc1)OC(=O)CCCl TS08976 [0,1,0,0,0,1|0,0,0]=2 1749 B12R1.34 CCC(C(=O)c1ccccc1)I TS33564 [0,1,0,0,0,1|1,0,1]=4 1750 B12R1.34 CCC(C)C(c1ccccc1)O TS42791 [0,1,0,0,0,1|1,0,1]=4 1751 B12R1.34 CN(c1ccccc1)C(=O)CCl TS48486 [0,1,0,0,0,1|1,0,0]=3 1752 B12R1.34 CN(c1ccccc1)C(=O)CN TS42762 [0,1,0,0,0,1|1,0,0]=3 1753 B12R1.34 COC(=O)C(=O)c1ccccc1 TS00234 [0,1,0,0,0,1|1,0,0]=3 1754 B12R1.34 COC(=O)C(c1ccccc1)Br TS52792 [0,1,0,0,0,1|1,0,0]=3 1755 B12R1.34 COC(=O)C(c1ccccc1)Cl TS15391 [0,1,0,0,0,1|1,0,0]=3 1756 B12R1.34 COC(=O)C(c1ccccc1)F TS44841 [0,1,0,0,0,1|1,0,0]=3 1757 B12R1.34 COC(=O)C(c1ccccc1)O TS12191 [0,1,0,0,0,1|1,0,0]=3 1758 B12R1.34 COC(=O)[C@@H](c1ccccc1)N TS19278 [0,1,0,0,0,1|1,0,0]=3 1759 B12R1.34 COC(=O)[C@@H](c1ccccc1)O TS12187 [0,1,0,0,0,1|1,0,0]=3 1760 B12R1.34 COC(=O)[C@H](c1ccccc1)N TS19277 [0,1,0,0,0,1|1,0,0]=3 1761 B12R1.34 COC(=O)[C@H](c1ccccc1)O TS43052 [0,1,0,0,0,1|1,0,0]=3 1762 B12R1.34 c1ccc(cc1)C(C(=O)NN)O TS43056 [0,1,0,0,0,1|2,0,0]=4 1763 B12R1.34 c1ccc(cc1)C(C(=O)NO)O TS43202 [0,1,0,0,0,1|2,0,0]=4 1764 B12R1.43 CC(=C)C(=O)Nc1ccccc1 TS11415 [0,1,0,0,0,1|0,0,1]=3 1765 B12R1.43 CC(=C)C(=O)Oc1ccccc1 TS00244 [0,1,0,0,0,1|0,0,1]=3 1766 B12R1.43 CC(C(=O)Nc1ccccc1)Br TS24452 [0,1,0,0,0,1|0,0,0]=2 1767 B12R1.43 CC(C)C(=O)Cc1ccccc1 TS11588 [0,1,0,0,0,1|0,0,0]=2 1768 B12R1.43 CC(C)C(=O)Oc1ccccc1 TS11856 [0,1,0,0,0,1|0,0,0]=2 1769 B12R1.43 CN(C(=O)Nc1ccccc1)O TS43078 [0,1,0,0,0,1|1,0,0]=3 1770 B12R1.43 CN(C)C(=O)Cc1ccccc1 TS42597 [0,1,0,0,0,1|1,0,0]=3 1771 B12R1.43 CN(C)C(=O)Nc1ccccc1 TS42772 [0,1,0,0,0,1|1,0,0]=3 1772 B12R1.43 CN(C)C(=O)Nc1ccccc1 TS63486 [0,1,0,0,0,1|1,0,0]=3 1773 B12R1.43 CN(C)C(=O)Oc1ccccc1 TS12029 [0,1,0,0,0,1|1,0,0]=3 1774 B12R1.43 CN(C)C(=O)Oc1cccnc1 TS12239 [0,1,0,0,0,1|2,0,0]=4 1775 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O TS42697 [0,1,0,0,0,1|1,0,1]=4 1776 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS19705 [0,1,0,0,0,1|1,0,1]=4 1777 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS48842 [0,1,0,0,0,1|1,0,1]=4 1778 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] TS66652 [0,1,0,0,0,1|1,0,1]=4 1779 B12R1.49 C=CC(=O)Nc1ccc(cc1)Cl TS14853 [0,1,0,0,0,1|0,0,2]=4 1780 B12R1.49 C=CC(=O)Oc1ccc(cc1)Cl TS48354 [0,1,0,0,0,1|0,0,2]=4 1781 B12R1.49 CCC(=O)Nc1ccc(cc1)Br TS24457 [0,1,0,0,0,1|0,0,0]=2 1782 B12R1.49 CCC(=O)Nc1ccc(cc1)N TS42774 [0,1,0,0,0,1|0,0,0]=2 1783 B12R1.49 CCC(=O)Nc1ccc(cc1)O TS42901 [0,1,0,0,0,1|0,0,0]=2 1784 B12R1.49 CCC(=O)Sc1ccc(cc1)C TS14652 [0,1,0,0,0,1|0,0,0]=2 1785 B12R1.49 CCC(C)Oc1ccc(cc1)Cl TS48693 [0,1,0,0,0,1|1,0,1]=4 1786 B12R1.49 COC(=O)Cc1ccc(cc1)Br TS56291 [0,1,0,0,0,1|1,0,0]=3 1787 B12R1.49 COC(=O)Cc1ccc(cc1)N TS38167 [0,1,0,0,0,1|1,0,0]=3 1788 B12R1.49 COC(=O)Cc1ccc(cc1)N TS42886 [0,1,0,0,0,1|1,0,0]=3 1789 B12R1.49 COC(=O)Cc1ccc(cc1)O TS12194 [0,1,0,0,0,1|1,0,0]=3 1790 B12R1.49 Cc1ccc(cc1)CC(=O)OC TS11880 [0,1,0,0,0,1|1,0,0]=3 1791 B12R1.49 Cc1ccc(cc1)NC(=O)CCl TS48483 [0,1,0,0,0,1|1,0,0]=3 1792 B12R1.49 Cc1ccc(cc1)SC(=O)CCl TS64957 [0,1,0,0,0,1|1,0,0]=3 1793 B12R1.49 c1cc(ccc1CC(=O)NN)Cl TS48673 [0,1,0,0,0,1|2,0,0]=4 1794 B12R1.49 c1cc(ccc1CC(=O)NN)F TS12508 [0,1,0,0,0,1|2,0,0]=4 1795 B12R1.49 c1cc(ccc1CC(=O)NN)O TS43066 [0,1,0,0,0,1|2,0,0]=4 1796 B12R1.49 c1cc(ccc1NC(=O)CCl)Cl TS19677 [0,1,0,0,0,1|1,0,0]=3 1797 B12R1.49 c1cc(ccc1NC(=O)CCl)F TS15868 [0,1,0,0,0,1|1,0,0]=3 1798 B12R1.49 c1cc(ccc1NC(=O)CCl)I TS35822 [0,1,0,0,0,1|1,0,0]=3 1799 B12R1.49 c1cc(ccc1NC(=O)CCl)O TS15525 [0,1,0,0,0,1|1,0,0]=3 1800 B12R1.49 c1cc(ccc1NC(=O)NN)Cl TS23393 [0,1,0,0,0,1|2,0,0]=4 1801 B12R1.49 c1cc(ccc1NC(=O)NN)Cl TS48796 [0,1,0,0,0,1|2,0,0]=4 1802 B12R1.50 CCC(=O)Nc1cccc(c1)N TS11901 [0,1,0,0,0,1|0,0,0]=2 1803 B12R1.50 COC(=O)Cc1cccc(c1)Cl TS32710 [0,1,0,0,0,1|1,0,0]=3 1804 B12R1.50 COC(=O)Cc1cccc(c1)F TS12507 [0,1,0,0,0,1|1,0,0]=3 1805 B12R1.50 COC(=O)Cc1cccc(c1)N TS65476 [0,1,0,0,0,1|1,0,0]=3 1806 B12R1.50 COC(=O)Cc1cccc(c1)O TS60013 [0,1,0,0,0,1|1,0,0]=3 1807 B12R1.50 COC(=O)Nc1cc(ccn1)Cl TS15725 [0,1,0,0,0,1|2,0,0]=4 1808 B12R1.50 COC(=O)Nc1cccc(c1)O TS12373 [0,1,0,0,0,1|1,0,0]=3 1809 B12R1.50 Cc1cccc(c1)CC(=O)OC TS42759 [0,1,0,0,0,1|1,0,0]=3 1810 B12R1.50 Cc1cccc(c1)OC(=O)NC TS12018 [0,1,0,0,0,1|1,0,0]=3 1811 B12R1.50 c1cc(cc(c1)Cl)CC(=O)NN TS48671 [0,1,0,0,0,1|2,0,0]=4 1812 B12R1.50 c1cc(cc(c1)Cl)NC(=O)CBr TS62640 [0,1,0,0,0,1|1,0,0]=3 1813 B12R1.50 c1cc(cc(c1)Cl)NC(=O)CCl TS19681 [0,1,0,0,0,1|1,0,0]=3 1814 B12R1.50 c1cc(cc(c1)Cl)NC(=O)NN TS23392 [0,1,0,0,0,1|2,0,0]=4 1815 B12R1.50 c1cc(cc(c1)F)NC(=O)CCl TS15867 [0,1,0,0,0,1|1,0,0]=3 1816 B12R1.50 c1cc(cc(c1)F)NC(=O)NN TS44985 [0,1,0,0,0,1|2,0,0]=4 1817 B12R1.50 c1cc(cc(c1)O)NC(=O)CBr TS24816 [0,1,0,0,0,1|1,0,0]=3 1818 B12R1.50 c1cc(cc(c1)O)NC(=O)CCl TS15515 [0,1,0,0,0,1|1,0,0]=3 1819 B12R1.118 CCN(CC)Cc1ccccc1 TS42632 [0,1,0,0,0,1|2,0,0]=4 1820 B12R1.371 CNC(=O)Oc1ccccc1Cl TS15517 [0,1,0,0,0,1|1,0,0]=3 1821 B12R1.371 COC(=O)Cc1c(cccn1)Br TS88741 [0,1,0,0,0,1|2,0,0]=4 1822 B12R1.371 COC(=O)Cc1ccccc1Br TS52795 [0,1,0,0,0,1|1,0,0]=3 1823 B12R1.371 COC(=O)Cc1ccccc1F TS02004 [0,1,0,0,0,1|1,0,0]=3 1824 B12R1.371 COC(=O)Cc1ccccc1N TS38170 [0,1,0,0,0,1|1,0,0]=3 1825 B12R1.371 COC(=O)Cc1ccccc1N TS39893 [0,1,0,0,0,1|1,0,0]=3 1826 B12R1.371 COC(=O)Cc1ccccc1O TS12181 [0,1,0,0,0,1|1,0,0]=3 1827 B12R1.371 Cc1ccccc1CC(=O)OC TS11862 [0,1,0,0,0,1|1,0,0]=3 1828 B12R1.371 Cc1ccccc1NC(=O)CBr TS24455 [0,1,0,0,0,1|1,0,0]=3 1829 B12R1.371 c1ccc(c(c1)CC(=O)NN)Cl TS48674 [0,1,0,0,0,1|2,0,0]=4 1830 B12R1.371 c1ccc(c(c1)NC(=O)CBr)Cl TS62636 [0,1,0,0,0,1|1,0,0]=3 1831 B12R1.371 c1ccc(c(c1)NC(=O)CCl)Cl TS19680 [0,1,0,0,0,1|1,0,0]=3 1832 B12R1.371 c1ccc(c(c1)NC(=O)CCl)F TS15865 [0,1,0,0,0,1|1,0,0]=3 1833 B12R1.371 c1ccc(c(c1)NC(=O)NN)Cl TS48797 [0,1,0,0,0,1|2,0,0]=4 1834 B12R1.9 CCC(C)(C)c1ccc(cc1)N TS11751 [0,2,0,0,0,0|1,0,1]=4 1835 B12R1.9 CCC(C)(C)c1ccc(cc1)O TS42798 [0,2,0,0,0,0|1,0,1]=4 1836 B12R1.9 CCS(=O)(=O)c1ccc(cc1)Br TS94877 [0,2,0,0,0,0|1,0,0]=3 1837 B12R1.9 CCS(=O)(=O)c1ccc(cc1)Cl TS38715 [0,2,0,0,0,0|1,0,0]=3 1838 B12R1.9 CCS(=O)(=O)c1ccc(cn1)Cl TS20059 [0,2,0,0,0,0|2,0,0]=4 1839 B12R1.9 CNS(=O)(=O)c1ccc(cc1)Br TS70997 [0,2,0,0,0,0|2,0,0]=4 1840 B12R1.9 CNS(=O)(=O)c1ccc(cc1)N TS03007 [0,2,0,0,0,0|2,0,0]=4 1841 B12R1.9 COS(=O)(=O)c1ccc(cc1)Cl TS20283 [0,2,0,0,0,0|2,0,0]=4 1842 B12R1.9 Cc1ccc(cc1)S(=O)(=O)CCl TS38716 [0,2,0,0,0,0|2,0,0]=4 1843 B12R1.9 Cc1ccc(cc1)S(=O)(=O)OC TS15626 [0,2,0,0,0,0|2,0,0]=4 1844 B12R1.9 Cc1ccc(cc1)S(=O)(=O)SC TS38318 [0,2,0,0,0,0|2,0,0]=4 1845 B12R1.10 CC[N+](C)(C)c1cccc(c1)O TS38187 [0,2,0,0,0,0|2,0,0]=4 1846 B12R1.39 C=CCS(=O)(=O)c1ccccc1 TS15011 [0,2,0,0,0,0|1,0,1]=4 1847 B12R1.39 CCCC(C)(c1ccccc1)O TS42784 [0,2,0,0,0,0|0,0,2]=4 1848 B12R1.39 CCNS(=O)(=O)c1ccccc1 TS48749 [0,2,0,0,0,0|1,0,0]=3 1849 B12R1.39 CCOP(=O)(c1ccccc1)O TS15910 [0,2,0,0,0,0|1,0,0]=3 1850 B12R1.39 CCOS(=O)(=O)c1ccccc1 TS48908 [0,2,0,0,0,0|1,0,0]=3 1851 B12R1.39 CCO[Si](C)(C)c1ccccc1 TS47978 [0,2,0,0,0,0|1,1,0]=4 1852 B12R1.39 [C-]#[N+]CS(=O)(=O)c1ccccc1 TS14798 [0,2,0,0,0,0|1,0,1]=4 1853 B12R1.39 c1ccc(cc1)S(=O)(=O)CC#N TS14793 [0,2,0,0,0,0|1,0,1]=4 1854 B12R1.39 c1ccc(cc1)S(=O)(=O)CCCl TS38717 [0,2,0,0,0,0|1,0,0]=3 1855 B12R1.39 c1ccc(cc1)S(=O)(=O)CCO TS48910 [0,2,0,0,0,0|1,0,0]=3 1856 B12R1.195 CCC(C)(C)c1ccccc1O TS42789 [0,2,0,0,0,0|1,0,1]=4 1857 B12R1.195 CNS(=O)(=O)c1ccccc1N TS00815 [0,2,0,0,0,0|2,0,0]=4 1858 B12R1.475 CCC(CC)(c1ccccc1)O TS11923 [0,2,0,0,0,0|0,0,2]=4 1859 B12R1.475 CCC(CN)(c1ccccc1)N TS11927 [0,2,0,0,0,0|1,0,1]=4 1860 B12R1.475 COP(=O)(c1ccccc1)OC TS48843 [0,2,0,0,0,0|2,0,0]=4 1861 B12R1.3 CCCC(C#N)c1ccccc1 TS42075 [0,2,0,0,0,0|1,0,1]=4 1862 B12R1.3 CCN(CCCl)c1ccccc1 TS23016 [0,2,0,0,0,0|2,0,0]=4 1863 B12R1.3 CCN(CCO)c1ccccc1 TS42948 [0,2,0,0,0,0|1,0,1]=4 1864 B12R1.12 CCN(C=O)c1ccc(cc1)Cl TS48484 [0,2,0,0,0,0|1,0,0]=3 1865 B12R1.12 CCN(CC)c1ccc(cc1)Br TS52604 [0,2,0,0,0,0|2,0,0]=4 1866 B12R1.12 CCN(CC)c1ccc(cc1)C TS11754 [0,2,0,0,0,0|2,0,0]=4 1867 B12R1.12 CCN(CC)c1ccc(cc1)N TS11931 [0,2,0,0,0,0|2,0,0]=4 1868 B12R1.12 CCN(CC)c1ccc(cc1)N TS19129 [0,2,0,0,0,0|2,0,0]=4 1869 B12R1.12 CCN(CC)c1ccc(cc1)N TS26024 [0,2,0,0,0,0|2,0,0]=4 1870 B12R1.12 CCN(CC)c1ccc(cc1)N TS29804 [0,2,0,0,0,0|2,0,0]=4 1871 B12R1.12 c1cc(ccc1C(=NO)CBr)F TS53263 [0,2,0,0,0,0|1,0,1]=4 1872 B12R1.13 CCN(CC)c1cccc(c1)C TS37826 [0,2,0,0,0,0|2,0,0]=4 1873 B12R1.13 CCN(CC)c1cccc(c1)C TS42638 [0,2,0,0,0,0|2,0,0]=4 1874 B12R1.13 CCN(CC)c1cccc(c1)O TS42952 [0,2,0,0,0,0|2,0,0]=4 1875 B12R1.243 CCN(CC)c1ccccc1C TS42628 [0,2,0,0,0,0|2,0,0]=4 1876 B12R1.243 CCN(CC)c1ccccc1Cl TS48501 [0,2,0,0,0,0|2,0,0]=4 1877 B12R1.478 CC(C)C(C#N)c1ccccc1 TS42072 [0,2,0,0,0,0|1,0,1]=4 1878 B12R1.478 CCC(c1ccccc1)C(=O)Cl TS48366 [0,2,0,0,0,0|0,0,1]=3 1879 B12R1.478 CCC(c1ccccc1)C(=O)N TS42598 [0,2,0,0,0,0|0,0,1]=3 1880 B12R1.478 CCC(c1ccccc1)C(=O)O TS42761 [0,2,0,0,0,0|0,0,1]=3 1881 B12R1.478 CCN(c1ccccc1)C(=O)C TS42596 [0,2,0,0,0,0|1,0,0]=3 1882 B12R1.478 CCN(c1ccccc1)C(=S)N TS14662 [0,2,0,0,0,0|1,1,0]=4 1883 B12R1.478 CCN(c1ccccc1)C(C)C TS11749 [0,2,0,0,0,0|2,0,0]=4 1884 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O TS42891 [0,2,0,0,0,0|1,0,1]=4 1885 B12R1.478 COC(c1ccccc1)C(=O)O TS12180 [0,2,0,0,0,0|1,0,1]=4 1886 B12R1.478 COC(c1ccccc1)C(=O)[O-] TS15927 [0,2,0,0,0,0|1,0,1]=4 1887 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O TS43053 [0,2,0,0,0,0|1,0,1]=4 1888 B12R1.478 CO[C@H](c1ccccc1)C(=O)O TS39563 [0,2,0,0,0,0|1,0,1]=4 1889 B12R1.478 c1ccc(cc1)C(=NO)C(=O)O TS11996 [0,2,0,0,0,0|2,0,0]=4 1890 B12R1.478 c1ccc(cc1)C(CO)C(=O)N TS34758 [0,2,0,0,0,0|1,0,1]=4 1891 B12R1.478 c1ccc(cc1)C(CO)C(=O)O TS12203 [0,2,0,0,0,0|1,0,1]=4 1892 B12R1.16 CCCC(=O)c1ccc(cc1)Cl TS48368 [0,2,0,0,0,0|0,0,0]=2 1893 B12R1.16 CCCC(=O)c1ccc(cc1)F TS43085 [0,2,0,0,0,0|0,0,0]=2 1894 B12R1.16 CCCC(=O)c1ccc(cc1)N TS11723 [0,2,0,0,0,0|0,0,0]=2 1895 B12R1.16 CCCC(=O)c1ccc(cc1)O TS42742 [0,2,0,0,0,0|0,0,0]=2 1896 B12R1.16 CCOC(=N)c1ccc(cc1)C TS37814 [0,2,0,0,0,0|1,0,0]=3 1897 B12R1.16 CCOC(=N)c1ccc(cc1)F TS38502 [0,2,0,0,0,0|1,0,0]=3 1898 B12R1.16 CCOC(=N)c1ccc(cc1)O TS38165 [0,2,0,0,0,0|1,0,0]=3 1899 B12R1.16 CCOC(=O)c1ccc(=O)[nH]n1 TS44834 [0,2,0,0,0,0|2,0,0]=4 1900 B12R1.16 CCOC(=O)c1ccc(cc1)Br TS52789 [0,2,0,0,0,0|0,0,0]=2 1901 B12R1.16 CCOC(=O)c1ccc(cc1)C TS11853 [0,2,0,0,0,0|0,0,0]=2 1902 B12R1.16 CCOC(=O)c1ccc(cc1)Cl TS15387 [0,2,0,0,0,0|0,0,0]=2 1903 B12R1.16 CCOC(=O)c1ccc(cc1)F TS12505 [0,2,0,0,0,0|0,0,0]=2 1904 B12R1.16 CCOC(=O)c1ccc(cc1)I TS16559 [0,2,0,0,0,0|0,0,0]=2 1905 B12R1.16 CCOC(=O)c1ccc(cc1)N TS19282 [0,2,0,0,0,0|0,0,0]=2 1906 B12R1.16 CCOC(=O)c1ccc(cc1)N TS55757 [0,2,0,0,0,0|0,0,0]=2 1907 B12R1.16 CCOC(=O)c1ccc(cc1)O TS00084 [0,2,0,0,0,0|0,0,0]=2 1908 B12R1.16 CCOC(=O)c1ccc(cc1)O TS15928 [0,2,0,0,0,0|0,0,0]=2 1909 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] TS64291 [0,2,0,0,0,0|0,0,0]=2 1910 B12R1.16 CCOC(=O)c1ccc(cn1)Br TS71441 [0,2,0,0,0,0|1,0,0]=3 1911 B12R1.16 CCOC(=O)c1ccc(cn1)Cl TS48792 [0,2,0,0,0,0|1,0,0]=3 1912 B12R1.16 CCOC(=O)c1ccc(cn1)N TS12218 [0,2,0,0,0,0|1,0,0]=3 1913 B12R1.16 CCOC(=O)c1ccc(nc1)C TS12006 [0,2,0,0,0,0|1,0,0]=3 1914 B12R1.16 CCOC(=O)c1ccc(nc1)C TS87974 [0,2,0,0,0,0|1,0,0]=3 1915 B12R1.16 CCOC(=O)c1ccc(nc1)Cl TS55576 [0,2,0,0,0,0|1,0,0]=3 1916 B12R1.16 CCOC(=O)c1ccc(nc1)N TS12209 [0,2,0,0,0,0|1,0,0]=3 1917 B12R1.16 CCOC(=O)c1ccc(nc1)O TS01239 [0,2,0,0,0,0|1,0,0]=3 1918 B12R1.16 CCOC(=O)c1cnc(cn1)N TS55957 [0,2,0,0,0,0|2,0,0]=4 1919 B12R1.16 CCOC(=O)c1cnc(nc1)C TS91213 [0,2,0,0,0,0|2,0,0]=4 1920 B12R1.16 CCOC(=O)c1cnc(nc1)N TS85398 [0,2,0,0,0,0|2,0,0]=4 1921 B12R1.16 CNCC(c1ccc(cc1)O)O TS38512 [0,2,0,0,0,0|0,0,2]=4 1922 B12R1.16 CNCC(c1ccc(cc1)O)O TS83006 [0,2,0,0,0,0|0,0,2]=4 1923 B12R1.16 CNC[C@@H](c1ccc(cc1)O)O TS43231 [0,2,0,0,0,0|0,0,2]=4 1924 B12R1.16 Cc1ccc(cc1)C(=O)CC#N TS11129 [0,2,0,0,0,0|0,0,1]=3 1925 B12R1.16 Cc1ccc(cc1)C(=O)CCCl TS48365 [0,2,0,0,0,0|0,0,0]=2 1926 B12R1.16 Cc1ccc(cc1)C(=O)N=C=S TS46297 [0,2,0,0,0,0|1,0,1]=4 1927 B12R1.16 Cc1ccc(cc1)C(CCO)N TS12059 [0,2,0,0,0,0|1,0,1]=4 1928 B12R1.16 Cc1ccc(cc1)N(C)CCO TS12071 [0,2,0,0,0,0|2,0,0]=4 1929 B12R1.16 Cc1ccc(cc1)[C@@H](CCO)N TS12072 [0,2,0,0,0,0|1,0,1]=4 1930 B12R1.16 c1cc(ccc1C(=O)CC#N)Br TS50415 [0,2,0,0,0,0|0,0,1]=3 1931 B12R1.16 c1cc(ccc1C(=O)CC#N)Cl TS09681 [0,2,0,0,0,0|0,0,1]=3 1932 B12R1.16 c1cc(ccc1C(=O)CC#N)F TS03085 [0,2,0,0,0,0|0,0,1]=3 1933 B12R1.16 c1cc(ccc1C(=O)CC#N)I TS74082 [0,2,0,0,0,0|0,0,1]=3 1934 B12R1.16 c1cc(ccc1C(=O)CCCl)Br TS27651 [0,2,0,0,0,0|0,0,0]=2 1935 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl TS19513 [0,2,0,0,0,0|0,0,0]=2 1936 B12R1.16 c1cc(ccc1C(=O)N=C=S)Cl TS18511 [0,2,0,0,0,0|1,0,1]=4 1937 B12R1.16 c1cc(ccc1C(CCO)N)Br TS52948 [0,2,0,0,0,0|1,0,1]=4 1938 B12R1.16 c1cc(ccc1C(CCO)N)F TS59601 [0,2,0,0,0,0|1,0,1]=4 1939 B12R1.16 c1cc(ccc1[C@@H](CCO)N)F TS12687 [0,2,0,0,0,0|1,0,1]=4 1940 B12R1.16 c1cc(ccc1[C@H](CCI)O)F TS54302 [0,2,0,0,0,0|0,0,2]=4 1941 B12R1.17 CCCC(=O)c1cccc(c1)C TS42482 [0,2,0,0,0,0|0,0,0]=2 1942 B12R1.17 CCOC(=O)c1cc(ccn1)Br TS09613 [0,2,0,0,0,0|1,0,0]=3 1943 B12R1.17 CCOC(=O)c1cc(ccn1)N TS88120 [0,2,0,0,0,0|1,0,0]=3 1944 B12R1.17 CCOC(=O)c1cc(cnc1)Br TS09809 [0,2,0,0,0,0|1,0,0]=3 1945 B12R1.17 CCOC(=O)c1cc(cnc1)C TS12010 [0,2,0,0,0,0|1,0,0]=3 1946 B12R1.17 CCOC(=O)c1cc(cnc1)F TS64890 [0,2,0,0,0,0|1,0,0]=3 1947 B12R1.17 CCOC(=O)c1cc(ncn1)Cl TS87829 [0,2,0,0,0,0|2,0,0]=4 1948 B12R1.17 CCOC(=O)c1cccc(c1)Br TS08510 [0,2,0,0,0,0|0,0,0]=2 1949 B12R1.17 CCOC(=O)c1cccc(c1)C TS11846 [0,2,0,0,0,0|0,0,0]=2 1950 B12R1.17 CCOC(=O)c1cccc(c1)Cl TS15385 [0,2,0,0,0,0|0,0,0]=2 1951 B12R1.17 CCOC(=O)c1cccc(c1)F TS44848 [0,2,0,0,0,0|0,0,0]=2 1952 B12R1.17 CCOC(=O)c1cccc(c1)I TS31079 [0,2,0,0,0,0|0,0,0]=2 1953 B12R1.17 CCOC(=O)c1cccc(c1)N TS08509 [0,2,0,0,0,0|0,0,0]=2 1954 B12R1.17 CCOC(=O)c1cccc(c1)N TS29672 [0,2,0,0,0,0|0,0,0]=2 1955 B12R1.17 CCOC(=O)c1cccc(c1)O TS12170 [0,2,0,0,0,0|0,0,0]=2 1956 B12R1.17 CCOC(=O)c1cccc(c1)[Zn+] TS64290 [0,2,0,0,0,0|0,0,0]=2 1957 B12R1.17 CCOC(=O)c1cccc(n1)Br TS08519 [0,2,0,0,0,0|1,0,0]=3 1958 B12R1.17 CCOC(=O)c1ccnc(c1)Br TS24818 [0,2,0,0,0,0|1,0,0]=3 1959 B12R1.17 CCOC(=O)c1ccnc(c1)Cl TS55913 [0,2,0,0,0,0|1,0,0]=3 1960 B12R1.17 CCOC(=O)c1ccnc(c1)N TS47474 [0,2,0,0,0,0|1,0,0]=3 1961 B12R1.17 CCOC(=O)c1nccc(n1)N TS55940 [0,2,0,0,0,0|2,0,0]=4 1962 B12R1.17 CNCC(=O)c1cccc(c1)O TS38166 [0,2,0,0,0,0|0,0,0]=2 1963 B12R1.17 CNCC(=O)c1cccc(c1)O TS62149 [0,2,0,0,0,0|0,0,0]=2 1964 B12R1.17 CNCC(c1cccc(c1)O)O TS38514 [0,2,0,0,0,0|0,0,2]=4 1965 B12R1.17 CNCC(c1cccc(c1)O)O TS43246 [0,2,0,0,0,0|0,0,2]=4 1966 B12R1.17 CNC[C@@H](c1cccc(c1)O)O TS33090 [0,2,0,0,0,0|0,0,2]=4 1967 B12R1.17 CNC[C@@H](c1cccc(c1)O)O TS61333 [0,2,0,0,0,0|0,0,2]=4 1968 B12R1.17 Cc1cccc(c1)C(=O)CC#N TS02844 [0,2,0,0,0,0|0,0,1]=3 1969 B12R1.17 Cc1cccc(c1)C(=O)N=C=S TS46298 [0,2,0,0,0,0|1,0,1]=4 1970 B12R1.17 Cc1cccc(c1)C(CCO)N TS12058 [0,2,0,0,0,0|1,0,1]=4 1971 B12R1.17 c1cc(cc(c1)Br)C(=O)CC#N TS09484 [0,2,0,0,0,0|0,0,1]=3 1972 B12R1.17 c1cc(cc(c1)Br)C(CCO)N TS52950 [0,2,0,0,0,0|1,0,1]=4 1973 B12R1.17 c1cc(cc(c1)Cl)C(=O)CC#N TS02720 [0,2,0,0,0,0|0,0,1]=3 1974 B12R1.17 c1cc(cc(c1)Cl)C(=O)N=C=S TS53921 [0,2,0,0,0,0|1,0,1]=4 1975 B12R1.17 c1cc(cc(c1)Cl)C(CCO)N TS48811 [0,2,0,0,0,0|1,0,1]=4 1976 B12R1.17 c1cc(cc(c1)F)C(=O)CC#N TS11674 [0,2,0,0,0,0|0,0,1]=3 1977 B12R1.17 c1cc(cc(c1)F)C(CCO)N TS12684 [0,2,0,0,0,0|1,0,1]=4 1978 B12R1.17 c1cc(cc(c1)I)C(=O)CC#N TS74081 [0,2,0,0,0,0|0,0,1]=3 1979 B12R1.17 c1cc(cc(c1)N)C(CCO)N TS43119 [0,2,0,0,0,0|1,0,1]=4 1980 B12R1.17 c1cc(cc(c1)O)C(CCO)N TS43252 [0,2,0,0,0,0|1,0,1]=4 1981 B12R1.30 C=CCNC(=O)c1ccccc1 TS42307 [0,2,0,0,0,0|0,0,1]=3 1982 B12R1.30 C=CCOC(=O)c1ccncc1 TS11684 [0,2,0,0,0,0|1,0,1]=4 1983 B12R1.30 CC=CCC(C)c1ccccc1 TS42205 [0,2,0,0,0,0|1,0,1]=4 1984 B12R1.30 CCCCC(=O)c1ccccc1 TS11583 [0,2,0,0,0,0|0,0,0]=2 1985 B12R1.30 CCCCC(=O)c1ccccc1 TS42489 [0,2,0,0,0,0|0,0,0]=2 1986 B12R1.30 CCCCC(c1ccccc1)O TS42804 [0,2,0,0,0,0|0,0,2]=4 1987 B12R1.30 CCCCN(c1ccccc1)N TS11936 [0,2,0,0,0,0|2,0,0]=4 1988 B12R1.30 CCCOC(=O)c1ccccc1 TS11882 [0,2,0,0,0,0|0,0,0]=2 1989 B12R1.30 CCNCC(C)c1ccccc1 TS11759 [0,2,0,0,0,0|1,0,1]=4 1990 B12R1.30 CCSCC(=O)c1ccccc1 TS14653 [0,2,0,0,0,0|0,0,0]=2 1991 B12R1.30 CN(CCC#N)c1ccccc1 TS11283 [0,2,0,0,0,0|2,0,0]=4 1992 B12R1.30 CN(CCCN)c1ccccc1 TS11930 [0,2,0,0,0,0|2,0,0]=4 1993 B12R1.30 CNCCC(c1ccccc1)Cl TS22708 [0,2,0,0,0,0|1,0,1]=4 1994 B12R1.30 CNCCC(c1ccccc1)O TS00158 [0,2,0,0,0,0|0,0,2]=4 1995 B12R1.30 CNCC[C@H](c1ccccc1)O TS94530 [0,2,0,0,0,0|0,0,2]=4 1996 B12R1.30 C[C@@H](c1ccccc1)NCCO TS12067 [0,2,0,0,0,0|1,0,1]=4 1997 B12R1.30 C[C@H](c1ccccc1)NCCO TS46579 [0,2,0,0,0,0|1,0,1]=4 1998 B12R1.30 c1cc(cnc1)C(=O)CCC#N TS11246 [0,2,0,0,0,0|1,0,0]=3 1999 B12R1.30 c1ccc(cc1)C(=O)CCCBr TS16775 [0,2,0,0,0,0|0,0,0]=2 2000 B12R1.30 c1ccc(cc1)C(=O)CSC#N TS46295 [0,2,0,0,0,0|0,0,1]=3 2001 B12R1.30 c1ccc(cc1)C(=O)OCCBr TS55166 [0,2,0,0,0,0|0,0,0]=2 2002 B12R1.30 c1ccc(cc1)C(=O)OCCCl TS15372 [0,2,0,0,0,0|0,0,0]=2 2003 B12R1.30 c1ccc(cc1)C(=O)OCCI TS31073 [0,2,0,0,0,0|0,0,0]=2 2004 B12R1.30 c1ccc(cc1)C(=O)SCCN TS22303 [0,2,0,0,0,0|0,0,0]=2 2005 B12R1.107 CC(=NN(C)C)c1ccccc1 TS11603 [0,2,0,0,0,0|2,0,0]=4 2006 B12R1.107 CC(=O)CC(=O)c1ccccc1 TS42435 [0,2,0,0,0,0|0,0,0]=2 2007 B12R1.107 CC(=O)CC(=O)c1ccccn1 TS42571 [0,2,0,0,0,0|1,0,0]=3 2008 B12R1.107 CC(C)CC(c1ccccc1)N TS42635 [0,2,0,0,0,0|1,0,1]=4 2009 B12R1.107 CC(C)N=C(C)c1ccccc1 TS42351 [0,2,0,0,0,0|1,0,0]=3 2010 B12R1.107 CC(C)OC(=O)c1ccccc1 TS11876 [0,2,0,0,0,0|0,0,0]=2 2011 B12R1.107 CC(C)OC(=O)c1cccnc1 TS42894 [0,2,0,0,0,0|1,0,0]=3 2012 B12R1.107 CN(C)C[C@H](c1ccccc1)O TS42950 [0,2,0,0,0,0|0,0,2]=4 2013 B12R1.107 C[C@@H](c1ccccc1)NC(C)C TS37829 [0,2,0,0,0,0|1,0,1]=4 2014 B12R1.107 C[C@H](c1ccccc1)NC(C)C TS37827 [0,2,0,0,0,0|1,0,1]=4 2015 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS29651 [0,2,0,0,0,0|0,0,0]=2 2016 B12R1.107 C[S+](C)CC(=O)c1ccccc1 TS30492 [0,2,0,0,0,0|0,0,0]=2 2017 B12R1.107 c1ccc(cc1)C(=O)C[N+](=O)[O-] TS11991 [0,2,0,0,0,0|1,0,0]=3 2018 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N TS11834 [0,2,0,0,0,0|1,0,1]=4 2019 B12R1.107 c1ccc(cc1)C(=O)NC(=S)N TS14634 [0,2,0,0,0,0|1,0,1]=4 2020 B12R1.308 C=COC(=O)c1ccccc1Cl TS48356 [0,2,0,0,0,0|0,0,2]=4 2021 B12R1.308 CCCC(=O)c1ccccc1O TS42728 [0,2,0,0,0,0|0,0,0]=2 2022 B12R1.308 CCCC(C)c1ccccc1O TS42783 [0,2,0,0,0,0|1,0,1]=4 2023 B12R1.308 CCNC(=O)c1ccccc1Br TS24454 [0,2,0,0,0,0|0,0,0]=2 2024 B12R1.308 CCNC(=O)c1ccccc1N TS42763 [0,2,0,0,0,0|0,0,0]=2 2025 B12R1.308 CCOC(=O)c1c(ccnn1)C TS86495 [0,2,0,0,0,0|2,0,0]=4 2026 B12R1.308 CCOC(=O)c1c(nccn1)Cl TS08513 [0,2,0,0,0,0|2,0,0]=4 2027 B12R1.308 CCOC(=O)c1ccccc1Br TS52778 [0,2,0,0,0,0|0,0,0]=2 2028 B12R1.308 CCOC(=O)c1ccccc1C TS11892 [0,2,0,0,0,0|0,0,0]=2 2029 B12R1.308 CCOC(=O)c1ccccc1Cl TS15373 [0,2,0,0,0,0|0,0,0]=2 2030 B12R1.308 CCOC(=O)c1ccccc1F TS44853 [0,2,0,0,0,0|0,0,0]=2 2031 B12R1.308 CCOC(=O)c1ccccc1N TS39641 [0,2,0,0,0,0|0,0,0]=2 2032 B12R1.308 CCOC(=O)c1ccccc1O TS12199 [0,2,0,0,0,0|0,0,0]=2 2033 B12R1.308 CCOC(=O)c1ccccc1S TS15010 [0,2,0,0,0,0|0,0,0]=2 2034 B12R1.308 CCOC(=O)c1ccccc1[Zn+] TS58500 [0,2,0,0,0,0|0,0,0]=2 2035 B12R1.308 CCOC(=O)c1cccnc1C TS02437 [0,2,0,0,0,0|1,0,0]=3 2036 B12R1.308 CCOC(=O)c1cccnc1Cl TS55914 [0,2,0,0,0,0|1,0,0]=3 2037 B12R1.308 CCOC(=O)c1cccnc1N TS08493 [0,2,0,0,0,0|1,0,0]=3 2038 B12R1.308 CCOC(=O)c1ccncc1Cl TS15514 [0,2,0,0,0,0|1,0,0]=3 2039 B12R1.308 CCOC(=O)c1ccncc1N TS08508 [0,2,0,0,0,0|1,0,0]=3 2040 B12R1.308 CCOC(=O)c1ccncc1O TS91202 [0,2,0,0,0,0|1,0,0]=3 2041 B12R1.308 CCOC(=O)c1ccnnc1C TS91259 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.308 CCOC(=O)c1cnccc1Br TS24820 [0,2,0,0,0,0|1,0,0]=3 2043 B12R1.308 CCOC(=O)c1cnccc1Cl TS09677 [0,2,0,0,0,0|1,0,0]=3 2044 B12R1.308 CCOC(=O)c1cnccc1N TS03006 [0,2,0,0,0,0|1,0,0]=3 2045 B12R1.308 CCOC(=O)c1cncnc1C TS43061 [0,2,0,0,0,0|2,0,0]=4 2046 B12R1.308 CCOC(=O)c1cncnc1Cl TS16554 [0,2,0,0,0,0|2,0,0]=4 2047 B12R1.308 CCOC(=O)c1cnncc1C TS89763 [0,2,0,0,0,0|2,0,0]=4 2048 B12R1.308 Cc1ccccc1C(=O)N=C=S TS46293 [0,2,0,0,0,0|1,0,1]=4 2049 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Br TS01775 [0,2,0,0,0,0|0,0,1]=3 2050 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Cl TS55274 [0,2,0,0,0,0|0,0,1]=3 2051 B12R1.308 c1ccc(c(c1)C(=O)CC#N)F TS11670 [0,2,0,0,0,0|0,0,1]=3 2052 B12R1.308 c1ccc(c(c1)C(=O)CC#N)I TS74086 [0,2,0,0,0,0|0,0,1]=3 2053 B12R1.308 c1ccc(c(c1)C(=O)N=C=S)Cl TS53923 [0,2,0,0,0,0|1,0,1]=4 2054 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl TS48804 [0,2,0,0,0,0|1,0,1]=4 2055 B12R1.308 c1ccc(c(c1)C(CCO)N)N TS43120 [0,2,0,0,0,0|1,0,1]=4 2056 B12R1.5 CCC(=O)c1ccc(cc1)OC TS11868 [0,2,0,0,0,0|0,0,0]=2 2057 B12R1.5 CC[n+]1ccc(cc1)C(=O)OC TS58356 [0,2,0,0,0,0|2,0,0]=4 2058 B12R1.5 CCc1ccc(cc1)C(=O)CC TS42487 [0,2,0,0,0,0|0,0,0]=2 2059 B12R1.5 CCc1ccc(cc1)C(=O)NN TS11905 [0,2,0,0,0,0|2,0,0]=4 2060 B12R1.5 CCc1ccc(cc1)C(=O)OC TS11864 [0,2,0,0,0,0|1,0,0]=3 2061 B12R1.5 CNc1ccc(cc1)C(=O)OC TS12013 [0,2,0,0,0,0|1,0,0]=3 2062 B12R1.5 COC(=O)c1ccc(cc1)C#C TS42145 [0,2,0,0,0,0|1,0,0]=3 2063 B12R1.5 COC(=O)c1ccc(cc1)C#N TS16563 [0,2,0,0,0,0|1,0,0]=3 2064 B12R1.5 COC(=O)c1ccc(cc1)C=C TS42431 [0,2,0,0,0,0|1,0,0]=3 2065 B12R1.5 COC(=O)c1ccc(cc1)C=O TS93418 [0,2,0,0,0,0|1,0,0]=3 2066 B12R1.5 COC(=O)c1ccc(cc1)CBr TS08583 [0,2,0,0,0,0|1,0,0]=3 2067 B12R1.5 COC(=O)c1ccc(cc1)CCl TS08584 [0,2,0,0,0,0|1,0,0]=3 2068 B12R1.5 COC(=O)c1ccc(cc1)CN TS38169 [0,2,0,0,0,0|1,0,0]=3 2069 B12R1.5 COC(=O)c1ccc(cc1)CO TS65237 [0,2,0,0,0,0|1,0,0]=3 2070 B12R1.5 COC(=O)c1ccc(cn1)CBr TS24821 [0,2,0,0,0,0|2,0,0]=4 2071 B12R1.5 COC(=O)c1ccc(nc1)CCl TS48793 [0,2,0,0,0,0|2,0,0]=4 2072 B12R1.5 COC(=O)c1ccc(nc1)CN TS43069 [0,2,0,0,0,0|2,0,0]=4 2073 B12R1.5 COC(=O)c1ccc(nc1)CO TS55610 [0,2,0,0,0,0|2,0,0]=4 2074 B12R1.5 COc1ccc(cc1)C(=O)C#N TS11379 [0,2,0,0,0,0|1,0,1]=4 2075 B12R1.5 COc1ccc(cc1)C(=O)C=O TS14914 [0,2,0,0,0,0|1,0,1]=4 2076 B12R1.5 COc1ccc(cc1)C(=O)CBr TS08327 [0,2,0,0,0,0|1,0,0]=3 2077 B12R1.5 COc1ccc(cc1)C(=O)CCl TS03154 [0,2,0,0,0,0|1,0,0]=3 2078 B12R1.5 COc1ccc(cc1)C(=O)CO TS12163 [0,2,0,0,0,0|1,0,0]=3 2079 B12R1.5 COc1ccc(cc1)C(=O)NN TS71218 [0,2,0,0,0,0|2,0,0]=4 2080 B12R1.5 COc1ccc(cc1)C(=O)OC TS43036 [0,2,0,0,0,0|1,0,0]=3 2081 B12R1.5 COc1ccc(cc1)C(=S)SC TS18706 [0,2,0,0,0,0|1,1,0]=4 2082 B12R1.5 COc1ccc(cn1)C(=O)OC TS16597 [0,2,0,0,0,0|2,0,0]=4 2083 B12R1.5 COc1ccc(nc1)C(=O)OC TS85745 [0,2,0,0,0,0|2,0,0]=4 2084 B12R1.5 c1cc(ccc1C#N)C(=O)C=O TS11112 [0,2,0,0,0,0|1,0,1]=4 2085 B12R1.5 c1cc(ccc1C#N)C(=O)CBr TS50405 [0,2,0,0,0,0|1,0,0]=3 2086 B12R1.5 c1cc(ccc1C#N)C(=O)CBr TS85467 [0,2,0,0,0,0|1,0,0]=3 2087 B12R1.5 c1cc(ccc1C#N)C(=O)NO TS11517 [0,2,0,0,0,0|2,0,0]=4 2088 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Cl TS48347 [0,2,0,0,0,0|0,0,1]=3 2089 B12R1.20 CC(C(=O)c1ccc(cc1)Br)Br TS35454 [0,2,0,0,0,0|0,0,0]=2 2090 B12R1.20 CC(C(=O)c1ccc(cc1)Cl)Br TS09115 [0,2,0,0,0,0|0,0,0]=2 2091 B12R1.20 CC(C(=O)c1ccc(cc1)O)Br TS00838 [0,2,0,0,0,0|0,0,0]=2 2092 B12R1.20 CC(C(c1ccc(cc1)Cl)O)N TS65020 [0,2,0,0,0,0|0,0,2]=4 2093 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl TS48369 [0,2,0,0,0,0|0,0,0]=2 2094 B12R1.20 CC(C)C(=O)c1ccc(cc1)F TS08678 [0,2,0,0,0,0|0,0,0]=2 2095 B12R1.20 CN(C)C(=O)c1ccc(cc1)I TS33669 [0,2,0,0,0,0|1,0,0]=3 2096 B12R1.20 CN(C)C(=O)c1ccc(cc1)N TS03004 [0,2,0,0,0,0|1,0,0]=3 2097 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N TS38510 [0,2,0,0,0,0|0,0,2]=4 2098 B12R1.20 Cc1ccc(cc1)C(=O)C(=O)O TS64974 [0,2,0,0,0,0|1,0,1]=4 2099 B12R1.20 c1cc(ccc1C(=O)C(=O)[O-])O TS50654 [0,2,0,0,0,0|1,0,1]=4 2100 B12R1.20 c1cc(ccc1C(=O)C(Br)Br)Br TS79367 [0,2,0,0,0,0|1,0,0]=3 2101 B12R1.20 c1cc(ccc1C(=O)C(Br)Br)F TS35849 [0,2,0,0,0,0|1,0,0]=3 2102 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F TS25009 [0,2,0,0,0,0|0,0,0]=2 2103 B12R1.367 CCC(=O)c1ccc(c(c1)C)C TS11591 [0,2,0,0,0,0|0,0,0]=2 2104 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl TS19511 [0,2,0,0,0,0|0,0,0]=2 2105 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F TS48998 [0,2,0,0,0,0|0,0,0]=2 2106 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)N TS48495 [0,2,0,0,0,0|0,0,0]=2 2107 B12R1.367 CCC(=O)c1ccc(c(c1)F)F TS45098 [0,2,0,0,0,0|0,0,0]=2 2108 B12R1.367 CCC(=O)c1ccc(c(c1)O)O TS12197 [0,2,0,0,0,0|0,0,0]=2 2109 B12R1.367 CCC(C)c1ccc(c(c1)O)N TS12077 [0,2,0,0,0,0|1,0,1]=4 2110 B12R1.367 COC(=O)c1cc(c(=O)oc1)Br TS25325 [0,2,0,0,0,0|2,0,0]=4 2111 B12R1.367 COC(=O)c1cc(c(cn1)O)O TS91711 [0,2,0,0,0,0|2,0,0]=4 2112 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Br TS56305 [0,2,0,0,0,0|2,0,0]=4 2113 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Cl TS20085 [0,2,0,0,0,0|2,0,0]=4 2114 B12R1.367 COC(=O)c1cc(c(nc1)N)Br TS16591 [0,2,0,0,0,0|2,0,0]=4 2115 B12R1.367 COC(=O)c1cc(c(nc1)O)O TS92420 [0,2,0,0,0,0|2,0,0]=4 2116 B12R1.367 COC(=O)c1ccc(c(c1)Br)F TS65232 [0,2,0,0,0,0|1,0,0]=3 2117 B12R1.367 COC(=O)c1ccc(c(c1)Br)I TS22773 [0,2,0,0,0,0|1,0,0]=3 2118 B12R1.367 COC(=O)c1ccc(c(c1)Br)N TS02975 [0,2,0,0,0,0|1,0,0]=3 2119 B12R1.367 COC(=O)c1ccc(c(c1)Br)O TS53113 [0,2,0,0,0,0|1,0,0]=3 2120 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Cl TS19901 [0,2,0,0,0,0|1,0,0]=3 2121 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N TS15518 [0,2,0,0,0,0|1,0,0]=3 2122 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O TS15704 [0,2,0,0,0,0|1,0,0]=3 2123 B12R1.367 COC(=O)c1ccc(c(c1)F)Br TS56288 [0,2,0,0,0,0|1,0,0]=3 2124 B12R1.367 COC(=O)c1ccc(c(c1)F)F TS45413 [0,2,0,0,0,0|1,0,0]=3 2125 B12R1.367 COC(=O)c1ccc(c(c1)F)O TS45080 [0,2,0,0,0,0|1,0,0]=3 2126 B12R1.367 COC(=O)c1ccc(c(c1)I)Cl TS58672 [0,2,0,0,0,0|1,0,0]=3 2127 B12R1.367 COC(=O)c1ccc(c(c1)I)N TS39545 [0,2,0,0,0,0|1,0,0]=3 2128 B12R1.367 COC(=O)c1ccc(c(c1)I)O TS02307 [0,2,0,0,0,0|1,0,0]=3 2129 B12R1.367 COC(=O)c1ccc(c(c1)N)Br TS65465 [0,2,0,0,0,0|1,0,0]=3 2130 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl TS08570 [0,2,0,0,0,0|1,0,0]=3 2131 B12R1.367 COC(=O)c1ccc(c(c1)N)N TS08563 [0,2,0,0,0,0|1,0,0]=3 2132 B12R1.367 COC(=O)c1ccc(c(c1)N)O TS65231 [0,2,0,0,0,0|1,0,0]=3 2133 B12R1.367 COC(=O)c1ccc(c(c1)O)F TS33164 [0,2,0,0,0,0|1,0,0]=3 2134 B12R1.367 COC(=O)c1ccc(c(c1)O)I TS02316 [0,2,0,0,0,0|1,0,0]=3 2135 B12R1.367 COC(=O)c1ccc(c(c1)O)N TS39548 [0,2,0,0,0,0|1,0,0]=3 2136 B12R1.367 COC(=O)c1ccc(c(c1)O)O TS08564 [0,2,0,0,0,0|1,0,0]=3 2137 B12R1.367 COC(=O)c1ccc(c(n1)N)Br TS25006 [0,2,0,0,0,0|2,0,0]=4 2138 B12R1.367 COC(=O)c1ccc(c(n1)O)O TS88111 [0,2,0,0,0,0|2,0,0]=4 2139 B12R1.367 Cc1cc(ccc1Br)C(=O)OC TS56289 [0,2,0,0,0,0|1,0,0]=3 2140 B12R1.367 Cc1cc(ccc1Cl)C(=O)OC TS48670 [0,2,0,0,0,0|1,0,0]=3 2141 B12R1.367 Cc1cc(ccc1I)C(=O)OC TS16570 [0,2,0,0,0,0|1,0,0]=3 2142 B12R1.367 Cc1cc(ccc1N)C(=O)OC TS08592 [0,2,0,0,0,0|1,0,0]=3 2143 B12R1.367 Cc1cc(ncc1Br)C(=O)OC TS16789 [0,2,0,0,0,0|2,0,0]=4 2144 B12R1.367 Cc1cc(ncc1N)C(=O)OC TS85853 [0,2,0,0,0,0|2,0,0]=4 2145 B12R1.367 Cc1ccc(cc1Br)C(=O)OC TS56265 [0,2,0,0,0,0|1,0,0]=3 2146 B12R1.367 Cc1ccc(cc1C)C(=O)OC TS11874 [0,2,0,0,0,0|1,0,0]=3 2147 B12R1.367 Cc1ccc(cc1Cl)C(=O)OC TS32935 [0,2,0,0,0,0|1,0,0]=3 2148 B12R1.367 Cc1ccc(cc1I)C(=O)OC TS31074 [0,2,0,0,0,0|1,0,0]=3 2149 B12R1.367 Cc1ccc(cc1N)C(=O)OC TS08571 [0,2,0,0,0,0|1,0,0]=3 2150 B12R1.367 Cc1ccc(cc1O)C(=O)OC TS70610 [0,2,0,0,0,0|1,0,0]=3 2151 B12R1.367 Cn1cc(ccc1=O)C(=O)OC TS85514 [0,2,0,0,0,0|2,0,0]=4 2152 B12R1.367 Cn1ccc(cc1=O)C(=O)OC TS89885 [0,2,0,0,0,0|2,0,0]=4 2153 B12R1.367 c1cc(c(cc1C(=O)C#N)Cl)F TS15180 [0,2,0,0,0,0|1,0,1]=4 2154 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)Cl TS30477 [0,2,0,0,0,0|1,0,0]=3 2155 B12R1.367 c1cc(c(cc1C(=O)CBr)F)F TS25675 [0,2,0,0,0,0|1,0,0]=3 2156 B12R1.367 c1cc(c(cc1C(=O)CCl)Cl)Cl TS50373 [0,2,0,0,0,0|1,0,0]=3 2157 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O TS15720 [0,2,0,0,0,0|1,0,0]=3 2158 B12R1.367 c1cc(c(cc1C(=O)CN)Cl)Cl TS26602 [0,2,0,0,0,0|1,0,0]=3 2159 B12R1.367 c1cc(c(cc1C(=O)NN)Br)Cl TS27947 [0,2,0,0,0,0|2,0,0]=4 2160 B12R1.367 c1cc(c(cc1C(=O)NN)Cl)Br TS27948 [0,2,0,0,0,0|2,0,0]=4 2161 B12R1.367 c1cc(c(cc1C(=O)NN)Cl)Cl TS38742 [0,2,0,0,0,0|2,0,0]=4 2162 B12R1.367 c1cc(c(cc1C(=O)NN)F)F TS45423 [0,2,0,0,0,0|2,0,0]=4 2163 B12R1.367 c1cc(c(cc1C(=O)NN)N)N TS43079 [0,2,0,0,0,0|2,0,0]=4 2164 B12R1.367 c1cc(c(cc1C(=O)NN)O)O TS12503 [0,2,0,0,0,0|2,0,0]=4 2165 B12R1.1703 CCC(=O)c1ccc(cc1C)C TS11586 [0,2,0,0,0,0|0,0,0]=2 2166 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl TS19507 [0,2,0,0,0,0|0,0,0]=2 2167 B12R1.1703 CCC(=O)c1ccc(cc1F)F TS47220 [0,2,0,0,0,0|0,0,0]=2 2168 B12R1.1703 CCC(=O)c1ccc(cc1O)Br TS52785 [0,2,0,0,0,0|0,0,0]=2 2169 B12R1.1703 CCC(=O)c1ccc(cc1O)N TS12033 [0,2,0,0,0,0|0,0,0]=2 2170 B12R1.1703 CCC(=O)c1ccc(cc1O)O TS43045 [0,2,0,0,0,0|0,0,0]=2 2171 B12R1.1703 CNC(=O)c1ccc(cc1F)Br TS94070 [0,2,0,0,0,0|1,0,0]=3 2172 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N TS91343 [0,2,0,0,0,0|2,0,0]=4 2173 B12R1.1703 COC(=O)c1ccc(cc1Br)F TS53412 [0,2,0,0,0,0|1,0,0]=3 2174 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl TS56235 [0,2,0,0,0,0|1,0,0]=3 2175 B12R1.1703 COC(=O)c1ccc(cc1Cl)F TS16079 [0,2,0,0,0,0|1,0,0]=3 2176 B12R1.1703 COC(=O)c1ccc(cc1Cl)O TS08828 [0,2,0,0,0,0|1,0,0]=3 2177 B12R1.1703 COC(=O)c1ccc(cc1F)F TS56236 [0,2,0,0,0,0|1,0,0]=3 2178 B12R1.1703 COC(=O)c1ccc(cc1F)N TS08590 [0,2,0,0,0,0|1,0,0]=3 2179 B12R1.1703 COC(=O)c1ccc(cc1N)Br TS56230 [0,2,0,0,0,0|1,0,0]=3 2180 B12R1.1703 COC(=O)c1ccc(cc1N)Cl TS56244 [0,2,0,0,0,0|1,0,0]=3 2181 B12R1.1703 COC(=O)c1ccc(cc1O)F TS77151 [0,2,0,0,0,0|1,0,0]=3 2182 B12R1.1703 COC(=O)c1ccc(cc1O)N TS60146 [0,2,0,0,0,0|1,0,0]=3 2183 B12R1.1703 COC(=O)c1ccc(cc1O)O TS44823 [0,2,0,0,0,0|1,0,0]=3 2184 B12R1.1703 COC(=O)c1ccc(nc1N)Cl TS90534 [0,2,0,0,0,0|2,0,0]=4 2185 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl TS08587 [0,2,0,0,0,0|2,0,0]=4 2186 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br TS70985 [0,2,0,0,0,0|2,0,0]=4 2187 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl TS09665 [0,2,0,0,0,0|2,0,0]=4 2188 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br TS56286 [0,2,0,0,0,0|1,0,0]=3 2189 B12R1.1703 Cc1cc(ccc1C(=O)OC)N TS32962 [0,2,0,0,0,0|1,0,0]=3 2190 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br TS16994 [0,2,0,0,0,0|2,0,0]=4 2191 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC TS08554 [0,2,0,0,0,0|1,0,0]=3 2192 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CBr TS52465 [0,2,0,0,0,0|1,0,0]=3 2193 B12R1.1703 Cc1ccc(c(c1)C)C(=O)OC TS42735 [0,2,0,0,0,0|1,0,0]=3 2194 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC TS16574 [0,2,0,0,0,0|1,0,0]=3 2195 B12R1.1703 Cc1ccc(c(n1)Br)C(=O)OC TS08369 [0,2,0,0,0,0|2,0,0]=4 2196 B12R1.1703 c1cc(c(cc1Br)Br)C(=O)CBr TS79366 [0,2,0,0,0,0|1,0,0]=3 2197 B12R1.1703 c1cc(c(cc1Br)Cl)C(=O)NN TS27949 [0,2,0,0,0,0|2,0,0]=4 2198 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr TS30478 [0,2,0,0,0,0|1,0,0]=3 2199 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl TS50371 [0,2,0,0,0,0|1,0,0]=3 2200 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS26600 [0,2,0,0,0,0|1,0,0]=3 2201 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS47347 [0,2,0,0,0,0|1,0,0]=3 2202 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CO TS19898 [0,2,0,0,0,0|1,0,0]=3 2203 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN TS38746 [0,2,0,0,0,0|2,0,0]=4 2204 B12R1.1703 c1cc(c(cc1Cl)O)C(=O)NO TS50612 [0,2,0,0,0,0|2,0,0]=4 2205 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O TS47217 [0,2,0,0,0,0|1,0,1]=4 2206 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr TS25674 [0,2,0,0,0,0|1,0,0]=3 2207 B12R1.1703 c1cc(c(cc1F)F)C(=O)CCl TS65390 [0,2,0,0,0,0|1,0,0]=3 2208 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS43342 [0,2,0,0,0,0|1,0,0]=3 2209 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS47349 [0,2,0,0,0,0|1,0,0]=3 2210 B12R1.1703 c1cc(c(cc1F)F)C(=O)CO TS45419 [0,2,0,0,0,0|1,0,0]=3 2211 B12R1.1703 c1cc(c(cc1F)F)C(=O)NN TS45422 [0,2,0,0,0,0|2,0,0]=4 2212 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr TS53124 [0,2,0,0,0,0|1,0,0]=3 2213 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN TS44835 [0,2,0,0,0,0|2,0,0]=4 2214 B12R1.24 CCC(=O)c1cccc(c1F)F TS45095 [0,2,0,0,0,0|0,0,0]=2 2215 B12R1.24 COC(=O)c1cccc(c1Br)N TS08860 [0,2,0,0,0,0|1,0,0]=3 2216 B12R1.24 COC(=O)c1cccc(c1Cl)Cl TS19902 [0,2,0,0,0,0|1,0,0]=3 2217 B12R1.24 COC(=O)c1cccc(c1N)Cl TS56241 [0,2,0,0,0,0|1,0,0]=3 2218 B12R1.24 COC(=O)c1cccc(c1O)F TS45085 [0,2,0,0,0,0|1,0,0]=3 2219 B12R1.24 COC(=O)c1ccnc(c1F)Cl TS65229 [0,2,0,0,0,0|2,0,0]=4 2220 B12R1.24 COC(=O)c1ccnc(c1N)Cl TS08568 [0,2,0,0,0,0|2,0,0]=4 2221 B12R1.24 Cc1c(cccc1N)C(=O)OC TS39541 [0,2,0,0,0,0|1,0,0]=3 2222 B12R1.24 Cc1cccc(c1Br)C(=O)OC TS08552 [0,2,0,0,0,0|1,0,0]=3 2223 B12R1.24 Cc1cccc(c1N)C(=O)NC TS65228 [0,2,0,0,0,0|1,0,0]=3 2224 B12R1.24 Cc1cccc(c1N)C(=O)OC TS56246 [0,2,0,0,0,0|1,0,0]=3 2225 B12R1.24 Cc1cccc(c1O)C(=O)NN TS12221 [0,2,0,0,0,0|2,0,0]=4 2226 B12R1.24 Cc1cccc(c1O)C(=O)OC TS59794 [0,2,0,0,0,0|1,0,0]=3 2227 B12R1.24 Cn1cccc(c1=O)C(=O)OC TS89492 [0,2,0,0,0,0|2,0,0]=4 2228 B12R1.24 c1cc(c(c(c1)Cl)Cl)C(=O)C#N TS18926 [0,2,0,0,0,0|1,0,1]=4 2229 B12R1.225 CC(C(=O)c1cccc(c1)Br)Br TS35453 [0,2,0,0,0,0|0,0,0]=2 2230 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Br TS27652 [0,2,0,0,0,0|0,0,0]=2 2231 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Cl TS19512 [0,2,0,0,0,0|0,0,0]=2 2232 B12R1.225 CC(C)[C@H](c1cccc(c1)F)N TS07982 [0,2,0,0,0,0|1,0,1]=4 2233 B12R1.225 CN(C)C(=O)c1cc(ccn1)Cl TS15394 [0,2,0,0,0,0|2,0,0]=4 2234 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N TS43239 [0,2,0,0,0,0|0,0,2]=4 2235 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N TS61334 [0,2,0,0,0,0|0,0,2]=4 2236 B12R1.354 CCC(=O)c1cc(ccc1F)F TS45097 [0,2,0,0,0,0|0,0,0]=2 2237 B12R1.354 CCC(=O)c1cc(ccc1N)Br TS24459 [0,2,0,0,0,0|0,0,0]=2 2238 B12R1.354 CCC(=O)c1cc(ccc1O)Br TS52798 [0,2,0,0,0,0|0,0,0]=2 2239 B12R1.354 CCC(=O)c1cc(ccc1O)C TS42743 [0,2,0,0,0,0|0,0,0]=2 2240 B12R1.354 CCC(=O)c1cc(ccc1O)Cl TS60084 [0,2,0,0,0,0|0,0,0]=2 2241 B12R1.354 CCC(=O)c1cc(ccc1O)F TS44842 [0,2,0,0,0,0|0,0,0]=2 2242 B12R1.354 CCC(=O)c1cc(ccc1O)O TS12160 [0,2,0,0,0,0|0,0,0]=2 2243 B12R1.354 CC[C@H](c1cc(ccc1C)C)N TS11748 [0,2,0,0,0,0|1,0,1]=4 2244 B12R1.354 COC(=O)c1c(ccc(n1)Cl)Cl TS38920 [0,2,0,0,0,0|2,0,0]=4 2245 B12R1.354 COC(=O)c1c(ccc(n1)Cl)N TS86451 [0,2,0,0,0,0|2,0,0]=4 2246 B12R1.354 COC(=O)c1c(ccc(n1)N)Br TS25007 [0,2,0,0,0,0|2,0,0]=4 2247 B12R1.354 COC(=O)c1cc(ccc1Br)Br TS58437 [0,2,0,0,0,0|1,0,0]=3 2248 B12R1.354 COC(=O)c1cc(ccc1Br)Cl TS29461 [0,2,0,0,0,0|1,0,0]=3 2249 B12R1.354 COC(=O)c1cc(ccc1Br)F TS32906 [0,2,0,0,0,0|1,0,0]=3 2250 B12R1.354 COC(=O)c1cc(ccc1Cl)Cl TS19911 [0,2,0,0,0,0|1,0,0]=3 2251 B12R1.354 COC(=O)c1cc(ccc1Cl)I TS58673 [0,2,0,0,0,0|1,0,0]=3 2252 B12R1.354 COC(=O)c1cc(ccc1Cl)N TS15522 [0,2,0,0,0,0|1,0,0]=3 2253 B12R1.354 COC(=O)c1cc(ccc1F)N TS44983 [0,2,0,0,0,0|1,0,0]=3 2254 B12R1.354 COC(=O)c1cc(ccc1I)O TS33984 [0,2,0,0,0,0|1,0,0]=3 2255 B12R1.354 COC(=O)c1cc(ccc1N)Br TS08543 [0,2,0,0,0,0|1,0,0]=3 2256 B12R1.354 COC(=O)c1cc(ccc1N)Cl TS16582 [0,2,0,0,0,0|1,0,0]=3 2257 B12R1.354 COC(=O)c1cc(ccc1N)F TS00786 [0,2,0,0,0,0|1,0,0]=3 2258 B12R1.354 COC(=O)c1cc(ccc1N)I TS31197 [0,2,0,0,0,0|1,0,0]=3 2259 B12R1.354 COC(=O)c1cc(ccc1O)Br TS53120 [0,2,0,0,0,0|1,0,0]=3 2260 B12R1.354 COC(=O)c1cc(ccc1O)Cl TS15713 [0,2,0,0,0,0|1,0,0]=3 2261 B12R1.354 COC(=O)c1cc(ccc1O)F TS16583 [0,2,0,0,0,0|1,0,0]=3 2262 B12R1.354 COC(=O)c1cc(ccc1O)I TS33987 [0,2,0,0,0,0|1,0,0]=3 2263 B12R1.354 COC(=O)c1cc(ccc1O)N TS43220 [0,2,0,0,0,0|1,0,0]=3 2264 B12R1.354 COC(=O)c1cc(ccc1O)O TS60141 [0,2,0,0,0,0|1,0,0]=3 2265 B12R1.354 COC(=O)c1cc(cnc1Br)Br TS89732 [0,2,0,0,0,0|2,0,0]=4 2266 B12R1.354 COC(=O)c1cc(cnc1Cl)Br TS56302 [0,2,0,0,0,0|2,0,0]=4 2267 B12R1.354 COC(=O)c1cc(cnc1Cl)Cl TS56237 [0,2,0,0,0,0|2,0,0]=4 2268 B12R1.354 COC(=O)c1cc(cnc1N)Br TS25008 [0,2,0,0,0,0|2,0,0]=4 2269 B12R1.354 COC(=O)c1cc(cnc1N)Br TS86954 [0,2,0,0,0,0|2,0,0]=4 2270 B12R1.354 COC(=O)c1cc(cnc1O)Br TS88516 [0,2,0,0,0,0|2,0,0]=4 2271 B12R1.354 COC(=O)c1cc(ncc1Br)Cl TS28102 [0,2,0,0,0,0|2,0,0]=4 2272 B12R1.354 COC(=O)c1cc(ncc1N)Br TS87939 [0,2,0,0,0,0|2,0,0]=4 2273 B12R1.354 Cc1cc(c(nc1)N)C(=O)OC TS43065 [0,2,0,0,0,0|2,0,0]=4 2274 B12R1.354 Cc1ccc(c(c1)C(=O)CBr)O TS52794 [0,2,0,0,0,0|1,0,0]=3 2275 B12R1.354 Cc1ccc(c(c1)C(=O)NN)N TS12037 [0,2,0,0,0,0|2,0,0]=4 2276 B12R1.354 Cc1ccc(c(c1)C(=O)NO)O TS12353 [0,2,0,0,0,0|2,0,0]=4 2277 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I TS31069 [0,2,0,0,0,0|1,0,0]=3 2278 B12R1.354 Cc1ccc(c(c1)C(=O)OC)O TS16588 [0,2,0,0,0,0|1,0,0]=3 2279 B12R1.354 Cc1ccc(cc1C(=O)OC)Br TS85253 [0,2,0,0,0,0|1,0,0]=3 2280 B12R1.354 Cc1ccc(cc1C(=O)OC)F TS16584 [0,2,0,0,0,0|1,0,0]=3 2281 B12R1.354 Cc1ccc(cc1C(=O)OC)I TS33764 [0,2,0,0,0,0|1,0,0]=3 2282 B12R1.354 Cc1ccc(cc1C(=O)OC)N TS56296 [0,2,0,0,0,0|1,0,0]=3 2283 B12R1.354 Cc1ccc(cc1C(=O)OC)O TS12198 [0,2,0,0,0,0|1,0,0]=3 2284 B12R1.354 Cc1ccc(nc1C(=O)OC)Cl TS00162 [0,2,0,0,0,0|2,0,0]=4 2285 B12R1.354 c1cc(c(cc1Br)C(=O)CBr)O TS58432 [0,2,0,0,0,0|1,0,0]=3 2286 B12R1.354 c1cc(c(cc1Cl)C(=O)C#N)Cl TS18925 [0,2,0,0,0,0|1,0,1]=4 2287 B12R1.354 c1cc(c(cc1Cl)C(=O)CBr)Cl TS30476 [0,2,0,0,0,0|1,0,0]=3 2288 B12R1.354 c1cc(c(cc1Cl)C(=O)CBr)O TS27944 [0,2,0,0,0,0|1,0,0]=3 2289 B12R1.354 c1cc(c(cc1Cl)C(=O)NN)Cl TS38739 [0,2,0,0,0,0|2,0,0]=4 2290 B12R1.354 c1cc(c(cc1Cl)C(=O)NN)N TS48795 [0,2,0,0,0,0|2,0,0]=4 2291 B12R1.354 c1cc(c(cc1Cl)C(=O)NN)O TS48988 [0,2,0,0,0,0|2,0,0]=4 2292 B12R1.354 c1cc(c(cc1Cl)C(=O)NO)O TS50615 [0,2,0,0,0,0|2,0,0]=4 2293 B12R1.354 c1cc(c(cc1F)C(=O)CBr)O TS53410 [0,2,0,0,0,0|1,0,0]=3 2294 B12R1.354 c1cc(c(cc1F)C(=O)CCl)F TS08385 [0,2,0,0,0,0|1,0,0]=3 2295 B12R1.354 c1cc(c(cc1O)C(=O)CBr)O TS53114 [0,2,0,0,0,0|1,0,0]=3 2296 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl TS94244 [0,2,0,0,0,0|0,0,0]=2 2297 B12R1.358 CCC(=O)c1cc(cc(c1)F)F TS45101 [0,2,0,0,0,0|0,0,0]=2 2298 B12R1.358 COC(=O)c1cc(cc(c1)Br)Br TS58435 [0,2,0,0,0,0|1,0,0]=3 2299 B12R1.358 COC(=O)c1cc(cc(c1)Br)F TS53411 [0,2,0,0,0,0|1,0,0]=3 2300 B12R1.358 COC(=O)c1cc(cc(c1)Cl)Cl TS19906 [0,2,0,0,0,0|1,0,0]=3 2301 B12R1.358 COC(=O)c1cc(cc(c1)I)N TS31199 [0,2,0,0,0,0|1,0,0]=3 2302 B12R1.358 COC(=O)c1cc(cc(c1)N)N TS12228 [0,2,0,0,0,0|1,0,0]=3 2303 B12R1.358 COC(=O)c1cc(cc(c1)O)O TS12481 [0,2,0,0,0,0|1,0,0]=3 2304 B12R1.358 COC(=O)c1cc(cc(n1)N)Br TS47389 [0,2,0,0,0,0|2,0,0]=4 2305 B12R1.358 COC(=O)c1cc(nc(c1)Br)Br TS89645 [0,2,0,0,0,0|2,0,0]=4 2306 B12R1.358 COC(=O)c1cc(nc(c1)Cl)Cl TS39898 [0,2,0,0,0,0|2,0,0]=4 2307 B12R1.358 Cc1cc(cc(c1)C(=O)OC)C TS11866 [0,2,0,0,0,0|1,0,0]=3 2308 B12R1.358 Cc1cc(cc(n1)Br)C(=O)OC TS85232 [0,2,0,0,0,0|2,0,0]=4 2309 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC TS56250 [0,2,0,0,0,0|2,0,0]=4 2310 B12R1.358 c1c(cc(cc1Cl)Cl)C(=O)NN TS38748 [0,2,0,0,0,0|2,0,0]=4 2311 B12R1.358 c1c(cc(cc1F)F)C(=O)CBr TS32786 [0,2,0,0,0,0|1,0,0]=3 2312 B12R1.358 c1c(cc(cc1N)N)C(=O)NN TS12240 [0,2,0,0,0,0|2,0,0]=4 2313 B12R1.358 c1c(cc(cc1O)O)C(=O)CBr TS53118 [0,2,0,0,0,0|1,0,0]=3 2314 B12R1.358 c1c(cc(cc1O)O)C(=O)NN TS12499 [0,2,0,0,0,0|2,0,0]=4 2315 B12R1.435 CCC(=O)c1cccc(c1)OC TS02826 [0,2,0,0,0,0|0,0,0]=2 2316 B12R1.435 COC(=O)c1cc(ccn1)CBr TS24824 [0,2,0,0,0,0|2,0,0]=4 2317 B12R1.435 COC(=O)c1cc(cnc1)C#N TS42414 [0,2,0,0,0,0|2,0,0]=4 2318 B12R1.435 COC(=O)c1cccc(c1)C#C TS42137 [0,2,0,0,0,0|1,0,0]=3 2319 B12R1.435 COC(=O)c1cccc(c1)C#N TS33068 [0,2,0,0,0,0|1,0,0]=3 2320 B12R1.435 COC(=O)c1cccc(c1)C=O TS56273 [0,2,0,0,0,0|1,0,0]=3 2321 B12R1.435 COC(=O)c1cccc(c1)CBr TS02301 [0,2,0,0,0,0|1,0,0]=3 2322 B12R1.435 COC(=O)c1cccc(c1)CCl TS60306 [0,2,0,0,0,0|1,0,0]=3 2323 B12R1.435 COC(=O)c1cccc(c1)CN TS19284 [0,2,0,0,0,0|1,0,0]=3 2324 B12R1.435 COC(=O)c1cccc(n1)C#N TS11514 [0,2,0,0,0,0|2,0,0]=4 2325 B12R1.435 COC(=O)c1cccc(n1)C=O TS11989 [0,2,0,0,0,0|2,0,0]=4 2326 B12R1.435 COC(=O)c1cccc(n1)CF TS12661 [0,2,0,0,0,0|2,0,0]=4 2327 B12R1.435 COC(=O)c1cccc(n1)CO TS12368 [0,2,0,0,0,0|2,0,0]=4 2328 B12R1.435 COC(=O)c1ccnc(c1)C#N TS42421 [0,2,0,0,0,0|2,0,0]=4 2329 B12R1.435 COC(=O)c1ccnc(c1)CN TS56233 [0,2,0,0,0,0|2,0,0]=4 2330 B12R1.435 COc1cc(ccn1)C(=O)OC TS88888 [0,2,0,0,0,0|2,0,0]=4 2331 B12R1.435 COc1cc(cnc1)C(=O)OC TS43201 [0,2,0,0,0,0|2,0,0]=4 2332 B12R1.435 COc1cccc(c1)C(=O)C#N TS11388 [0,2,0,0,0,0|1,0,1]=4 2333 B12R1.435 COc1cccc(c1)C(=O)CBr TS01771 [0,2,0,0,0,0|1,0,0]=3 2334 B12R1.435 COc1cccc(c1)C(=O)NN TS43055 [0,2,0,0,0,0|2,0,0]=4 2335 B12R1.435 COc1cccc(c1)C(=O)OC TS12177 [0,2,0,0,0,0|1,0,0]=3 2336 B12R1.435 COc1cccc(n1)C(=O)OC TS12356 [0,2,0,0,0,0|2,0,0]=4 2337 B12R1.435 COc1ccnc(c1)C(=O)OC TS12354 [0,2,0,0,0,0|2,0,0]=4 2338 B12R1.435 COc1ccnc(c1)C(=O)OC TS19651 [0,2,0,0,0,0|2,0,0]=4 2339 B12R1.435 c1cc(cc(c1)C(=O)CBr)C#N TS65669 [0,2,0,0,0,0|1,0,0]=3 2340 B12R1.124 CN(C(=O)c1ccccc1N)N TS12043 [0,2,0,0,0,0|1,0,0]=3 2341 B12R1.124 CN(C)C(=O)c1ccccc1Br TS24453 [0,2,0,0,0,0|1,0,0]=3 2342 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F TS12471 [0,2,0,0,0,0|1,0,1]=4 2343 B12R1.564 C=C(c1ccccc1)C(F)(F)F TS13120 [0,2,0,0,0,0|2,0,0]=4 2344 B12R1.564 CC(C(=O)c1ccccc1)(Cl)Cl TS19509 [0,2,0,0,0,0|0,0,0]=2 2345 B12R1.564 CC(C)(C(=O)c1ccccc1)Br TS52462 [0,2,0,0,0,0|0,0,0]=2 2346 B12R1.564 CC(C)(C(=O)c1ccccc1)O TS11861 [0,2,0,0,0,0|0,0,0]=2 2347 B12R1.564 CC(C)(C)C(=O)c1ccccc1 TS11595 [0,2,0,0,0,0|0,0,0]=2 2348 B12R1.564 CC(C)(C)C(c1ccccc1)N TS11744 [0,2,0,0,0,0|1,0,1]=4 2349 B12R1.564 CC(C)(C)C(c1ccccc1)O TS42795 [0,2,0,0,0,0|0,0,2]=4 2350 B12R1.564 c1ccc(cc1)C(=O)C(Cl)(Cl)Cl TS50372 [0,2,0,0,0,0|1,0,0]=3 2351 B12R1.564 c1ccc(cc1)C(=O)C(F)(F)Cl TS60273 [0,2,0,0,0,0|1,0,0]=3 2352 B12R1.564 c1ccc(cc1)C(=O)C(F)(F)F TS47108 [0,2,0,0,0,0|1,0,0]=3 2353 B12R1.77 CCc1ccccc1C(=O)CC TS42486 [0,2,0,0,0,0|0,0,0]=2 2354 B12R1.77 CNc1ccccc1C(=O)OC TS42906 [0,2,0,0,0,0|1,0,0]=3 2355 B12R1.77 COC(=O)c1c(cccn1)C#N TS11509 [0,2,0,0,0,0|2,0,0]=4 2356 B12R1.77 COC(=O)c1c(cccn1)CBr TS24814 [0,2,0,0,0,0|2,0,0]=4 2357 B12R1.77 COC(=O)c1ccccc1C#N TS56253 [0,2,0,0,0,0|1,0,0]=3 2358 B12R1.77 COC(=O)c1ccccc1C=O TS56257 [0,2,0,0,0,0|1,0,0]=3 2359 B12R1.77 COC(=O)c1ccccc1CBr TS00850 [0,2,0,0,0,0|1,0,0]=3 2360 B12R1.77 COC(=O)c1ccccc1CCl TS15378 [0,2,0,0,0,0|1,0,0]=3 2361 B12R1.77 COC(=O)c1ccccc1CI TS31078 [0,2,0,0,0,0|1,0,0]=3 2362 B12R1.77 COC(=O)c1ccccc1CN TS19283 [0,2,0,0,0,0|1,0,0]=3 2363 B12R1.77 COC(=O)c1ccccc1CO TS43040 [0,2,0,0,0,0|1,0,0]=3 2364 B12R1.77 COC(=O)c1ccccc1NN TS38357 [0,2,0,0,0,0|1,0,0]=3 2365 B12R1.77 COC(=O)c1ccccc1SC TS14999 [0,2,0,0,0,0|1,0,0]=3 2366 B12R1.77 COC(=O)c1cccnc1C#N TS11519 [0,2,0,0,0,0|2,0,0]=4 2367 B12R1.77 COc1c(cccn1)C(=O)OC TS86112 [0,2,0,0,0,0|2,0,0]=4 2368 B12R1.77 COc1ccccc1C(=O)C#N TS11376 [0,2,0,0,0,0|1,0,1]=4 2369 B12R1.77 COc1ccccc1C(=O)C=O TS14923 [0,2,0,0,0,0|1,0,1]=4 2370 B12R1.77 COc1ccccc1C(=O)CBr TS52784 [0,2,0,0,0,0|1,0,0]=3 2371 B12R1.77 COc1ccccc1C(=O)CO TS43048 [0,2,0,0,0,0|1,0,0]=3 2372 B12R1.77 COc1ccccc1C(=O)NN TS12207 [0,2,0,0,0,0|2,0,0]=4 2373 B12R1.77 COc1ccccc1C(=O)OC TS12172 [0,2,0,0,0,0|1,0,0]=3 2374 B12R1.77 COc1cccnc1C(=O)OC TS02828 [0,2,0,0,0,0|2,0,0]=4 2375 B12R1.77 c1ccc(c(c1)C#N)C(=O)CBr TS50417 [0,2,0,0,0,0|1,0,0]=3 2376 B12R1.3441 CCC(=O)c1c(cccc1F)F TS45096 [0,2,0,0,0,0|0,0,0]=2 2377 B12R1.3441 COC(=O)c1c(cccc1Br)Cl TS27945 [0,2,0,0,0,0|1,0,0]=3 2378 B12R1.3441 COC(=O)c1c(cccc1Cl)Cl TS19897 [0,2,0,0,0,0|1,0,0]=3 2379 B12R1.3441 COC(=O)c1c(cccc1F)F TS45415 [0,2,0,0,0,0|1,0,0]=3 2380 B12R1.3441 COC(=O)c1c(cccc1F)O TS45084 [0,2,0,0,0,0|1,0,0]=3 2381 B12R1.3441 COC(=O)c1c(cccc1O)O TS12478 [0,2,0,0,0,0|1,0,0]=3 2382 B12R1.3441 COC(=O)c1c(ccnc1Cl)Cl TS86722 [0,2,0,0,0,0|2,0,0]=4 2383 B12R1.3441 COC(=O)c1c(ccnc1Cl)I TS55221 [0,2,0,0,0,0|2,0,0]=4 2384 B12R1.3441 COC(=O)c1c(ccnc1Cl)N TS90592 [0,2,0,0,0,0|2,0,0]=4 2385 B12R1.3441 COC(=O)c1c(ccnc1F)I TS65048 [0,2,0,0,0,0|2,0,0]=4 2386 B12R1.3441 Cc1cccc(c1C(=O)OC)Cl TS48668 [0,2,0,0,0,0|1,0,0]=3 2387 B12R1.3441 Cc1cccc(c1C(=O)OC)O TS12171 [0,2,0,0,0,0|1,0,0]=3 2388 B12R1.3441 Cc1ccnc(c1C(=O)OC)N TS43067 [0,2,0,0,0,0|2,0,0]=4 2389 B12R1.3441 c1cc(c(c(c1)Cl)C(=O)CBr)Cl TS09114 [0,2,0,0,0,0|1,0,0]=3 2390 B12R1.3441 c1cc(c(c(c1)F)C(=O)CBr)F TS55079 [0,2,0,0,0,0|1,0,0]=3 2391 B10R1.20 CCc1ccccc1C=O TS36837 [0,0,1,1,0,0|2,0,0]=4 2392 B10R1.20 COc1ccccc1C=C TS36839 [0,0,1,1,0,0|2,0,0]=4 2393 B10R1.172 CCc1cccc(c1)C=O TS36830 [0,0,1,1,0,0|2,0,0]=4 2394 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [1,0,0,1,0,0|1,0,1]=4 2395 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [1,0,0,1,0,0|0,0,2]=4 2396 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [1,0,0,1,0,0|0,0,2]=4 2397 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [1,0,0,1,0,0|0,0,2]=4 2398 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|0,0,0]=2 2399 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [1,0,0,1,0,0|1,0,1]=4 2400 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [1,0,0,1,0,0|1,0,1]=4 2401 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [1,0,0,1,0,0|2,0,0]=4 2402 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,1,0,0|0,0,1]=3 2403 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,1,0,0|0,0,1]=3 2404 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,1,0,0|0,0,1]=3 2405 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,1,0,0|1,0,0]=3 2406 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,1,0,0|1,0,0]=3 2407 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [1,0,0,1,0,0|2,0,0]=4 2408 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,1,0,0|1,0,1]=4 2409 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [1,0,0,1,0,0|2,0,0]=4 2410 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [1,0,0,1,0,0|2,0,0]=4 2411 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [1,0,0,1,0,0|2,0,0]=4 2412 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [1,0,0,1,0,0|1,0,1]=4 2413 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [1,0,0,1,0,0|1,0,1]=4 2414 B10R2.7 c1ccc2c(c1)cco2 TS39813 [1,0,0,1,0,0|1,0,1]=4 2415 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [1,0,0,1,0,0|1,0,1]=4 2416 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [1,0,0,1,0,0|2,0,0]=4 2417 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [1,0,0,1,0,0|2,0,0]=4 2418 B10R2.7 c1ccc2c(c1)cno2 TS32395 [1,0,0,1,0,0|2,0,0]=4 2419 B10R2.7 c1ccc2c(c1)cns2 TS06001 [1,0,0,1,0,0|2,0,0]=4 2420 B10R2.7 c1ccc2c(c1)con2 TS32394 [1,0,0,1,0,0|2,0,0]=4 2421 B10R2.32 c1c2c(c[nH]1)C(=O)CC2 TS04860 [0,0,0,1,1,0|1,0,0]=3 2422 B12R2.18 CC1c2ccccc2NC1=O TS85089 [0,0,0,1,0,1|0,0,0]=2 2423 B12R2.18 CC1c2ccccc2NC1C TS40570 [0,0,0,1,0,1|1,0,1]=4 2424 B12R2.18 CN1c2ccccc2CC1=O TS40524 [0,0,0,1,0,1|1,0,0]=3 2425 B12R2.18 Cc1c([nH]c2c1cccc2)C TS32886 [0,0,0,1,0,1|1,0,1]=4 2426 B12R2.18 Cc1c(oc2c1cccc2)C TS07222 [0,0,0,1,0,1|1,0,1]=4 2427 B12R2.18 Cc1c(sc2c1cccc2)C TS11616 [0,0,0,1,0,1|1,0,1]=4 2428 B12R2.18 Cc1cc2ccccc2n1C TS00349 [0,0,0,1,0,1|2,0,0]=4 2429 B12R2.18 Cn1c2ccccc2cc1O TS07340 [0,0,0,1,0,1|1,0,1]=4 2430 B12R2.18 Cn1c2ccccc2nc1Cl TS12322 [0,0,0,1,0,1|2,0,0]=4 2431 B12R2.18 Cn1c2ccccc2nc1N TS40545 [0,0,0,1,0,1|2,0,0]=4 2432 B12R2.18 Cn1c2ccccc2oc1=O TS40731 [0,0,0,1,0,1|1,0,0]=3 2433 B12R2.18 Cn1c2ccccc2oc1=S TS42927 [0,0,0,1,0,1|1,1,0]=4 2434 B12R2.18 Cn1c2ccccc2sc1=O TS42917 [0,0,0,1,0,1|1,0,0]=3 2435 B12R2.18 Cn1c2ccccc2sc1=S TS48129 [0,0,0,1,0,1|1,1,0]=4 2436 B12R2.18 c1ccc2c(c1)C(=N)C(=O)N2 TS40395 [0,0,0,1,0,1|1,0,1]=4 2437 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 TS47172 [0,0,0,1,0,1|1,0,1]=4 2438 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N TS07428 [0,0,0,1,0,1|1,0,0]=3 2439 B12R2.18 c1ccc2c(c1)C(C(=O)O2)Br TS44289 [0,0,0,1,0,1|1,0,0]=3 2440 B12R2.18 c1ccc2c(c1)CC(=O)C2=O TS07174 [0,0,0,1,0,1|1,0,1]=4 2441 B12R2.24 C1CN2C=CC=CC2=NC1=O TS07439 [0,0,0,1,0,1|1,0,0]=3 2442 B12R2.24 CC1CCc2ccccc2N1 TS59877 [0,0,0,1,0,1|1,0,1]=4 2443 B12R2.24 c1c2c(ncn1)CCC(=O)C2 TS40630 [0,0,0,1,0,1|2,0,0]=4 2444 B12R2.24 c1cc2c(nc1)NC(=O)CC2 TS40632 [0,0,0,1,0,1|1,0,0]=3 2445 B12R2.24 c1cc2c(nc1)NC(=O)CO2 TS46411 [0,0,0,1,0,1|2,0,0]=4 2446 B12R2.24 c1ccc2c(c1)CC(=O)CO2 TS07410 [0,0,0,1,0,1|1,0,0]=3 2447 B12R2.24 c1ccc2c(c1)CC(=O)CS2 TS11911 [0,0,0,1,0,1|1,0,0]=3 2448 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,0,0,1,0,1|1,0,0]=3 2449 B12R2.24 c1ccc2c(c1)CC(=O)OC2 TS08988 [0,0,0,1,0,1|1,0,0]=3 2450 B12R2.24 c1ccc2c(c1)CC=C(N2)Cl TS12107 [0,0,0,1,0,1|1,0,1]=4 2451 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,0,0,1,0,1|0,0,0]=2 2452 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [0,0,0,1,0,1|0,0,0]=2 2453 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [0,0,0,1,0,1|0,0,0]=2 2454 B12R2.24 c1ccc2c(c1)CCC(C2)N TS08739 [0,0,0,1,0,1|1,0,1]=4 2455 B12R2.24 c1ccc2c(c1)CCC(C2)N TS46761 [0,0,0,1,0,1|1,0,1]=4 2456 B12R2.24 c1ccc2c(c1)CCC(C2)O TS07471 [0,0,0,1,0,1|0,0,2]=4 2457 B12R2.24 c1ccc2c(c1)CC[C@@H](C2)N TS07859 [0,0,0,1,0,1|1,0,1]=4 2458 B12R2.24 c1ccc2c(c1)NC(=O)CO2 TS46410 [0,0,0,1,0,1|1,0,0]=3 2459 B12R2.24 c1ccc2c(c1)NC(=O)CS2 TS42929 [0,0,0,1,0,1|1,0,0]=3 2460 B12R2.24 c1ccc2c(c1)NCC(=O)N2 TS32785 [0,0,0,1,0,1|1,0,0]=3 2461 B12R2.24 c1ccc2c(c1)ccc(=O)o2 TS07170 [0,0,0,1,0,1|0,0,2]=4 2462 B12R2.32 CCC1=Cc2ccccc2C1 TS07003 [0,0,0,1,0,1|1,0,0]=3 2463 B12R2.32 CC[n+]1cc2ccccc2o1 TS56594 [0,0,0,1,0,1|1,0,1]=4 2464 B12R2.32 CCc1[nH]c2ccccc2n1 TS02156 [0,0,0,1,0,1|1,0,0]=3 2465 B12R2.32 CCc1cc2ccccc2[nH]1 TS55313 [0,0,0,1,0,1|1,0,0]=3 2466 B12R2.32 CCc1cc2ccccc2o1 TS07223 [0,0,0,1,0,1|0,0,1]=3 2467 B12R2.32 CCc1nc2ccccc2o1 TS40537 [0,0,0,1,0,1|0,0,1]=3 2468 B12R2.32 CNc1nc2ccccc2s1 TS11921 [0,0,0,1,0,1|1,1,0]=4 2469 B12R2.32 CSc1[nH]c2ccccc2n1 TS42780 [0,0,0,1,0,1|2,0,0]=4 2470 B12R2.32 CSc1nc2ccccc2o1 TS42921 [0,0,0,1,0,1|1,0,1]=4 2471 B12R2.32 CSc1nc2ccccc2s1 TS48126 [0,0,0,1,0,1|1,1,0]=4 2472 B12R2.32 c1ccc2c(c1)[nH]c(n2)CCl TS47086 [0,0,0,1,0,1|2,0,0]=4 2473 B12R2.32 c1ccc2c(c1)[nH]c(n2)CO TS77182 [0,0,0,1,0,1|2,0,0]=4 2474 B12R2.32 c1ccc2c(c1)cc([nH]2)CN TS46492 [0,0,0,1,0,1|2,0,0]=4 2475 B12R2.32 c1ccc2c(c1)cc(o2)CO TS07422 [0,0,0,1,0,1|1,0,1]=4 2476 B12R2.32 c1ccc2c(c1)cc(s2)CN TS42619 [0,0,0,1,0,1|1,1,0]=4 2477 B12R2.32 c1ccc2c(c1)cc(s2)CO TS11913 [0,0,0,1,0,1|1,1,0]=4 2478 B12R2.32 c1ccc2c(c1)cc(s2)C[NH3+] TS37825 [0,0,0,1,0,1|1,1,0]=4 2479 B12R2.32 c1ccc2c(c1)nc(o2)CCl TS43272 [0,0,0,1,0,1|1,0,1]=4 2480 B12R2.32 c1ccc2c(c1)nc(o2)CN TS55755 [0,0,0,1,0,1|1,0,1]=4 2481 B12R2.32 c1ccc2c(c1)nc(s2)CBr TS47082 [0,0,0,1,0,1|1,1,0]=4 2482 B12R2.32 c1ccc2c(c1)nc(s2)CCl TS15201 [0,0,0,1,0,1|1,1,0]=4 2483 B12R2.32 c1ccc2c(c1)nc(s2)CI TS30990 [0,0,0,1,0,1|1,1,0]=4 2484 B12R2.32 c1ccc2c(c1)nc(s2)CN TS19126 [0,0,0,1,0,1|1,1,0]=4 2485 B12R2.32 c1ccc2c(c1)nc(s2)CO TS42923 [0,0,0,1,0,1|1,1,0]=4 2486 B12R2.2058 c1ccc(cc1)SC2CCC2 TS42808 [0,0,0,1,0,1|1,0,1]=4 2487 B12R2.48 c1ccc(cc1)C2(CC2)C#N TS59674 [0,1,0,1,0,0|1,0,1]=4 2488 B12R2.48 c1ccc(cc1)C2(CC2)CN TS40561 [0,1,0,1,0,0|1,0,1]=4 2489 B12R2.116 CC1(CNC1)c2ccccc2 TS40568 [0,1,0,1,0,0|1,0,1]=4 2490 B12R2.116 c1ccc(cc1)C2(CNC2)O TS89110 [0,1,0,1,0,0|0,0,2]=4 2491 B12R2.116 c1ccc(cc1)C2(COC2)N TS89065 [0,1,0,1,0,0|1,0,1]=4 2492 B12R2.116 c1ccc(cc1)C2(COC2)O TS86474 [0,1,0,1,0,0|0,0,2]=4 2493 B12R2.1 CCc1c[nH]c2c1cccc2 TS40329 [0,1,0,1,0,0|1,0,0]=3 2494 B12R2.1 CCn1ccc2c1cccc2 TS00434 [0,1,0,1,0,0|2,0,0]=4 2495 B12R2.1 CCn1cnc2c1cccc2 TS40438 [0,1,0,1,0,0|2,0,0]=4 2496 B12R2.1 COc1c2ccccc2[nH]n1 TS91723 [0,1,0,1,0,0|2,0,0]=4 2497 B12R2.1 c1ccc2c(c1)CCC2=NO TS40528 [0,1,0,1,0,0|0,0,1]=3 2498 B12R2.1 c1ccc2c(c1)CCC2C=O TS07225 [0,1,0,1,0,0|0,0,1]=3 2499 B12R2.1 c1ccc2c(c1)CCC2CN TS40569 [0,1,0,1,0,0|1,0,1]=4 2500 B12R2.1 c1ccc2c(c1)CCN2C=O TS07336 [0,1,0,1,0,0|1,0,0]=3 2501 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O TS01491 [0,1,0,1,0,0|1,0,1]=4 2502 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN TS46493 [0,1,0,1,0,0|2,0,0]=4 2503 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS09190 [0,1,0,1,0,0|2,0,0]=4 2504 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO TS42902 [0,1,0,1,0,0|2,0,0]=4 2505 B12R2.1 c1ccc2c(c1)c(cs2)C=O TS55754 [0,1,0,1,0,0|1,0,1]=4 2506 B12R2.1 c1ccc2c(c1)c(cs2)CN TS11736 [0,1,0,1,0,0|1,1,0]=4 2507 B12R2.1 c1ccc2c(c1)c(cs2)CN TS37824 [0,1,0,1,0,0|1,1,0]=4 2508 B12R2.1 c1ccc2c(c1)c(cs2)CO TS11910 [0,1,0,1,0,0|1,1,0]=4 2509 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O TS07202 [0,1,0,1,0,0|2,0,0]=4 2510 B12R2.1 c1ccc2c(c1)c(n[nH]2)CN TS15193 [0,1,0,1,0,0|2,0,0]=4 2511 B12R2.1 c1ccc2c(c1)c(n[nH]2)CN TS88235 [0,1,0,1,0,0|2,0,0]=4 2512 B12R2.1 c1ccc2c(c1)c(n[nH]2)CO TS40622 [0,1,0,1,0,0|2,0,0]=4 2513 B12R2.1 c1ccc2c(c1)c(no2)CBr TS21235 [0,1,0,1,0,0|1,0,1]=4 2514 B12R2.2 c1cc(cnc1)C2=NCCN2 TS40553 [0,1,0,1,0,0|2,0,0]=4 2515 B12R2.2 c1ccc(cc1)C2=CCCC2 TS07010 [0,1,0,1,0,0|1,0,0]=3 2516 B12R2.2 c1ccc(cc1)C2=NCCN2 TS40432 [0,1,0,1,0,0|1,0,0]=3 2517 B12R2.2 c1ccc(cc1)C2CCCC2 TS07262 [0,1,0,1,0,0|1,0,1]=4 2518 B12R2.2 c1ccc(cc1)C2CCCN2 TS65643 [0,1,0,1,0,0|1,0,1]=4 2519 B12R2.2 c1ccc(cc1)C2CCCO2 TS86553 [0,1,0,1,0,0|0,0,2]=4 2520 B12R2.2 c1ccc(cc1)C2CCNC2 TS02878 [0,1,0,1,0,0|1,0,1]=4 2521 B12R2.2 c1ccc(cc1)C2CCNC2 TS48496 [0,1,0,1,0,0|1,0,1]=4 2522 B12R2.2 c1ccc(cc1)C2NCCS2 TS12086 [0,1,0,1,0,0|0,1,1]=4 2523 B12R2.2 c1ccc(cc1)C2OCCO2 TS09861 [0,1,0,1,0,0|0,0,2]=4 2524 B12R2.2 c1ccc(cc1)N2CCCC2 TS40567 [0,1,0,1,0,0|2,0,0]=4 2525 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 TS15212 [0,1,0,1,0,0|1,0,1]=4 2526 B12R2.2 c1ccc(cc1)[S+]2CCCC2 TS60856 [0,1,0,1,0,0|2,0,0]=4 2527 B12R2.2 c1cnccc1C2=NCCN2 TS40557 [0,1,0,1,0,0|2,0,0]=4 2528 B12R2.22 c1ccc(cc1)N2CC(C2)O TS92510 [0,1,0,1,0,0|2,0,0]=4 2529 B12R2.22 c1ccc(cc1)[C@H]2C[C@@H](C2)N TS92833 [0,1,0,1,0,0|1,0,1]=4 2530 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS87812 [0,1,0,1,0,0|1,0,1]=4 2531 B12R2.22 c1ccc(cc1)[C@H]2C[C@H](C2)N TS92597 [0,1,0,1,0,0|1,0,1]=4 2532 B12R2.1081 CC1CCNc2c1cccc2 TS07373 [0,1,0,1,0,0|1,0,1]=4 2533 B12R2.1081 CN1CCCc2c1cccc2 TS85270 [0,1,0,1,0,0|2,0,0]=4 2534 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 TS07350 [0,1,0,1,0,0|1,0,0]=3 2535 B12R2.1081 c1cc2c(nc1)CCCC2=O TS01291 [0,1,0,1,0,0|1,0,0]=3 2536 B12R2.1081 c1cc2c(nc1)NCCC2=O TS07434 [0,1,0,1,0,0|1,0,0]=3 2537 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 TS00567 [0,1,0,1,0,0|0,0,0]=2 2538 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 TS71085 [0,1,0,1,0,0|0,0,0]=2 2539 B12R2.1081 c1ccc2c(c1)C(=O)CCS2 TS00277 [0,1,0,1,0,0|0,0,0]=2 2540 B12R2.1081 c1ccc2c(c1)C(CCN2)N TS40665 [0,1,0,1,0,0|1,0,1]=4 2541 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS48812 [0,1,0,1,0,0|1,0,1]=4 2542 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS55814 [0,1,0,1,0,0|1,0,1]=4 2543 B12R2.1081 c1ccc2c(c1)C(CCO2)O TS09864 [0,1,0,1,0,0|0,0,2]=4 2544 B12R2.1081 c1ccc2c(c1)C(CCS2)N TS12088 [0,1,0,1,0,0|1,0,1]=4 2545 B12R2.1081 c1ccc2c(c1)C(CCS2)O TS12277 [0,1,0,1,0,0|0,0,2]=4 2546 B12R2.1081 c1ccc2c(c1)CCCC2=O TS07218 [0,1,0,1,0,0|0,0,0]=2 2547 B12R2.1081 c1ccc2c(c1)CCCC2N TS46759 [0,1,0,1,0,0|1,0,1]=4 2548 B12R2.1081 c1ccc2c(c1)CCCC2N TS48498 [0,1,0,1,0,0|1,0,1]=4 2549 B12R2.1081 c1ccc2c(c1)CCCC2O TS40646 [0,1,0,1,0,0|0,0,2]=4 2550 B12R2.1081 c1ccc2c(c1)CCCN2N TS40674 [0,1,0,1,0,0|2,0,0]=4 2551 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS08922 [0,1,0,1,0,0|1,0,1]=4 2552 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS48497 [0,1,0,1,0,0|1,0,1]=4 2553 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2O TS40651 [0,1,0,1,0,0|0,0,2]=4 2554 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS15209 [0,1,0,1,0,0|1,0,1]=4 2555 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS40559 [0,1,0,1,0,0|1,0,1]=4 2556 B12R2.1081 c1ccc2c(c1)CCC[C@H]2O TS40650 [0,1,0,1,0,0|0,0,2]=4 2557 B12R2.1081 c1ccc2c(c1)CCNC2=O TS02547 [0,1,0,1,0,0|0,0,0]=2 2558 B12R2.1081 c1ccc2c(c1)CCNC2=S TS42620 [0,1,0,1,0,0|0,1,0]=3 2559 B12R2.1081 c1ccc2c(c1)CCOC2=O TS77141 [0,1,0,1,0,0|0,0,0]=2 2560 B12R2.1081 c1ccc2c(c1)CNCC2O TS40756 [0,1,0,1,0,0|0,0,2]=4 2561 B12R2.1081 c1ccc2c(c1)COC=C2O TS07416 [0,1,0,1,0,0|0,0,2]=4 2562 B12R2.1081 c1ccc2c(c1)COCC2=O TS86678 [0,1,0,1,0,0|0,0,0]=2 2563 B12R2.1081 c1ccc2c(c1)COCC2N TS65761 [0,1,0,1,0,0|1,0,1]=4 2564 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS00222 [0,1,0,1,0,0|1,0,1]=4 2565 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS15532 [0,1,0,1,0,0|1,0,1]=4 2566 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS00223 [0,1,0,1,0,0|1,0,1]=4 2567 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS48807 [0,1,0,1,0,0|1,0,1]=4 2568 B12R2.1081 c1ccc2c(c1)c(=O)cco2 TS07175 [0,1,0,1,0,0|0,0,2]=4 2569 B12R2.1081 c1ccc2c(c1)cn[nH]c2=O TS59343 [0,1,0,1,0,0|1,0,1]=4 2570 B12R2.1081 c1cncc2c1CCCC2=O TS01199 [0,1,0,1,0,0|1,0,0]=3 2571 B12R2.2028 CC1CC(=O)c2c1cccc2 TS07233 [0,1,0,1,0,0|0,0,0]=2 2572 B12R2.2028 Cn1c2ccccc2c(n1)Br TS87833 [0,1,0,1,0,0|2,0,0]=4 2573 B12R2.2028 Cn1c2ccccc2c(n1)I TS90863 [0,1,0,1,0,0|2,0,0]=4 2574 B12R2.2028 c1ccc2c(c1)C(=N)NC2=O TS07194 [0,1,0,1,0,0|1,0,1]=4 2575 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O TS07172 [0,1,0,1,0,0|0,0,1]=3 2576 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O TS44977 [0,1,0,1,0,0|1,0,1]=4 2577 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O TS74530 [0,1,0,1,0,0|1,0,1]=4 2578 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O TS74508 [0,1,0,1,0,0|1,0,1]=4 2579 B12R2.2028 c1ccc2c(c1)C(CC2O)O TS40841 [0,1,0,1,0,0|0,0,2]=4 2580 B12R2.2028 c1ccc2c(c1)C(OC2=O)Br TS44286 [0,1,0,1,0,0|1,0,0]=3 2581 B12R2.2028 c1ccc2c(c1)C(OC2=O)Cl TS46457 [0,1,0,1,0,0|1,0,0]=3 2582 B12R2.2075 c1ccc(cc1)C(=O)C2CC2 TS07235 [0,1,0,1,0,0|0,0,0]=2 2583 B12R2.2075 c1ccnc(c1)C(=O)C2CC2 TS40516 [0,1,0,1,0,0|1,0,0]=3 2584 B12R2.290 Cc1ccc(cc1)C2(CC2)N TS40560 [0,1,0,1,0,0|1,0,1]=4 2585 B12R2.290 c1cc(ccc1C2(CC2)N)Br TS44121 [0,1,0,1,0,0|1,0,1]=4 2586 B12R2.290 c1cc(ccc1C2(CC2)N)F TS10057 [0,1,0,1,0,0|1,0,1]=4 2587 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [0,1,0,1,0,0|0,0,0]=2 2588 B12R2.612 Cc1ccc2c(c1)COC2=O TS07420 [0,1,0,1,0,0|1,0,0]=3 2589 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 TS89827 [0,1,0,1,0,0|2,0,0]=4 2590 B12R2.612 c1cc2c(cc1Br)CCC2=O TS71462 [0,1,0,1,0,0|0,0,0]=2 2591 B12R2.612 c1cc2c(cc1Br)CNC2=O TS16971 [0,1,0,1,0,0|1,0,0]=3 2592 B12R2.612 c1cc2c(cc1Br)COC2=O TS03244 [0,1,0,1,0,0|1,0,0]=3 2593 B12R2.612 c1cc2c(cc1Br)OCC2=O TS22924 [0,1,0,1,0,0|1,0,0]=3 2594 B12R2.612 c1cc2c(cc1Cl)CCC2=O TS09822 [0,1,0,1,0,0|0,0,0]=2 2595 B12R2.612 c1cc2c(cc1Cl)CNC2=O TS43277 [0,1,0,1,0,0|1,0,0]=3 2596 B12R2.612 c1cc2c(cc1Cl)COC2=O TS44932 [0,1,0,1,0,0|1,0,0]=3 2597 B12R2.612 c1cc2c(cc1Cl)OCC2=O TS71456 [0,1,0,1,0,0|1,0,0]=3 2598 B12R2.612 c1cc2c(cc1F)CCC2=O TS71530 [0,1,0,1,0,0|0,0,0]=2 2599 B12R2.612 c1cc2c(cc1F)COC2=O TS41090 [0,1,0,1,0,0|1,0,0]=3 2600 B12R2.612 c1cc2c(cc1F)OCC2=O TS41087 [0,1,0,1,0,0|1,0,0]=3 2601 B12R2.612 c1cc2c(cc1I)CCC2=O TS68075 [0,1,0,1,0,0|0,0,0]=2 2602 B12R2.612 c1cc2c(cc1I)COC2=O TS29408 [0,1,0,1,0,0|1,0,0]=3 2603 B12R2.612 c1cc2c(cc1N)CCC2=O TS71374 [0,1,0,1,0,0|0,0,0]=2 2604 B12R2.612 c1cc2c(cc1N)CNC2=O TS59906 [0,1,0,1,0,0|1,0,0]=3 2605 B12R2.612 c1cc2c(cc1N)COC2=O TS40734 [0,1,0,1,0,0|1,0,0]=3 2606 B12R2.612 c1cc2c(cc1O)CCC2=O TS71567 [0,1,0,1,0,0|0,0,0]=2 2607 B12R2.612 c1cc2c(cc1O)COC2=O TS07650 [0,1,0,1,0,0|1,0,0]=3 2608 B12R2.612 c1cc2c(cc1O)OCC2=O TS55600 [0,1,0,1,0,0|1,0,0]=3 2609 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 TS55624 [0,1,0,1,0,0|0,0,0]=2 2610 B12R2.132 c1cc(nc2c1CCC2=O)Cl TS43276 [0,1,0,1,0,0|1,0,0]=3 2611 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 TS55541 [0,1,0,1,0,0|0,0,0]=2 2612 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 TS21234 [0,1,0,1,0,0|1,0,0]=3 2613 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 TS55555 [0,1,0,1,0,0|1,0,0]=3 2614 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 TS90453 [0,1,0,1,0,0|1,0,0]=3 2615 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 TS59731 [0,1,0,1,0,0|1,0,0]=3 2616 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N TS86271 [0,1,0,1,0,0|1,0,1]=4 2617 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N TS86272 [0,1,0,1,0,0|1,0,1]=4 2618 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 TS55566 [0,1,0,1,0,0|0,0,0]=2 2619 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 TS71510 [0,1,0,1,0,0|1,0,0]=3 2620 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 TS43274 [0,1,0,1,0,0|1,0,0]=3 2621 B12R2.132 c1cc2c(cc1Cl)C(=O)OC2 TS44936 [0,1,0,1,0,0|1,0,0]=3 2622 B12R2.132 c1cc2c(cc1Cl)C(CC2)N TS60095 [0,1,0,1,0,0|1,0,1]=4 2623 B12R2.132 c1cc2c(cc1F)C(=O)CC2 TS01223 [0,1,0,1,0,0|0,0,0]=2 2624 B12R2.132 c1cc2c(cc1F)C(=O)CO2 TS32992 [0,1,0,1,0,0|1,0,0]=3 2625 B12R2.132 c1cc2c(cc1F)C(=O)OC2 TS41094 [0,1,0,1,0,0|1,0,0]=3 2626 B12R2.132 c1cc2c(cc1F)C(CC2)N TS50631 [0,1,0,1,0,0|1,0,1]=4 2627 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N TS10054 [0,1,0,1,0,0|1,0,1]=4 2628 B12R2.132 c1cc2c(cc1I)C(=O)CC2 TS01244 [0,1,0,1,0,0|0,0,0]=2 2629 B12R2.132 c1cc2c(cc1I)C(=O)CO2 TS71576 [0,1,0,1,0,0|1,0,0]=3 2630 B12R2.132 c1cc2c(cc1I)C(=O)OC2 TS59736 [0,1,0,1,0,0|1,0,0]=3 2631 B12R2.132 c1cc2c(cc1N)C(=O)CC2 TS01205 [0,1,0,1,0,0|0,0,0]=2 2632 B12R2.132 c1cc2c(cc1N)C(=O)NC2 TS91611 [0,1,0,1,0,0|1,0,0]=3 2633 B12R2.132 c1cc2c(cc1N)C(=O)OC2 TS01209 [0,1,0,1,0,0|1,0,0]=3 2634 B12R2.132 c1cc2c(cc1O)C(=O)CC2 TS55597 [0,1,0,1,0,0|0,0,0]=2 2635 B12R2.132 c1cc2c(cc1O)C(=O)NC2 TS40732 [0,1,0,1,0,0|1,0,0]=3 2636 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N TS90694 [0,1,0,1,0,0|1,0,1]=4 2637 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N TS91190 [0,1,0,1,0,0|1,0,1]=4 2638 B12R2.196 Cc1cccc2c1CCC2=O TS71227 [0,1,0,1,0,0|0,0,0]=2 2639 B12R2.196 c1cc2c(c(c1)Br)CCC2=O TS70950 [0,1,0,1,0,0|0,0,0]=2 2640 B12R2.196 c1cc2c(c(c1)Br)CNC2=O TS29437 [0,1,0,1,0,0|1,0,0]=3 2641 B12R2.196 c1cc2c(c(c1)Br)COC2=O TS16927 [0,1,0,1,0,0|1,0,0]=3 2642 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O TS03034 [0,1,0,1,0,0|0,0,0]=2 2643 B12R2.196 c1cc2c(c(c1)Cl)CCC2N TS38540 [0,1,0,1,0,0|1,0,1]=4 2644 B12R2.196 c1cc2c(c(c1)Cl)COC2=O TS44933 [0,1,0,1,0,0|1,0,0]=3 2645 B12R2.196 c1cc2c(c(c1)F)CCC2=O TS71114 [0,1,0,1,0,0|0,0,0]=2 2646 B12R2.196 c1cc2c(c(c1)F)CCC2N TS50630 [0,1,0,1,0,0|1,0,1]=4 2647 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N TS10051 [0,1,0,1,0,0|1,0,1]=4 2648 B12R2.196 c1cc2c(c(c1)I)CCC2=O TS00568 [0,1,0,1,0,0|0,0,0]=2 2649 B12R2.196 c1cc2c(c(c1)N)CCC2=O TS07324 [0,1,0,1,0,0|0,0,0]=2 2650 B12R2.196 c1cc2c(c(c1)N)CNC2=O TS86640 [0,1,0,1,0,0|1,0,0]=3 2651 B12R2.196 c1cc2c(c(c1)N)COC2=O TS40730 [0,1,0,1,0,0|1,0,0]=3 2652 B12R2.196 c1cc2c(c(c1)O)CCC2=O TS71172 [0,1,0,1,0,0|0,0,0]=2 2653 B12R2.1282 Cc1cccc(c1)C2(CC2)N TS40562 [0,1,0,1,0,0|1,0,1]=4 2654 B12R2.1282 c1cc(cc(c1)Br)C2(CC2)N TS44122 [0,1,0,1,0,0|1,0,1]=4 2655 B12R2.1282 c1cc(cc(c1)F)C2(CC2)N TS10055 [0,1,0,1,0,0|1,0,1]=4 2656 B12R2.1282 c1cc(cc(c1)F)C2(CC2)N TS50632 [0,1,0,1,0,0|1,0,1]=4 2657 B12R2.88 c1ccc(c(c1)C2(CC2)N)Br TS44123 [0,1,0,1,0,0|1,0,1]=4 2658 B12R2.88 c1ccc(c(c1)C2(CC2)N)F TS10053 [0,1,0,1,0,0|1,0,1]=4 2659 B12R2.203 Cc1cccc2c1C(=O)CC2 TS07220 [0,1,0,1,0,0|0,0,0]=2 2660 B12R2.203 Cc1cccc2c1C(=O)OC2 TS55693 [0,1,0,1,0,0|1,0,0]=3 2661 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 TS16489 [0,1,0,1,0,0|0,0,0]=2 2662 B12R2.203 c1cc2c(c(c1)Br)C(=O)CO2 TS44284 [0,1,0,1,0,0|1,0,0]=3 2663 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 TS21237 [0,1,0,1,0,0|1,0,0]=3 2664 B12R2.203 c1cc2c(c(c1)Br)c(=O)[nH][nH]2 TS87842 [0,1,0,1,0,0|2,0,0]=4 2665 B12R2.203 c1cc2c(c(c1)Cl)C(=O)CC2 TS12305 [0,1,0,1,0,0|0,0,0]=2 2666 B12R2.203 c1cc2c(c(c1)Cl)C(=O)OC2 TS16508 [0,1,0,1,0,0|1,0,0]=3 2667 B12R2.203 c1cc2c(c(c1)Cl)c(=O)[nH]o2 TS09630 [0,1,0,1,0,0|2,0,0]=4 2668 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 TS16516 [0,1,0,1,0,0|0,0,0]=2 2669 B12R2.203 c1cc2c(c(c1)I)C(=O)CC2 TS00569 [0,1,0,1,0,0|0,0,0]=2 2670 B12R2.203 c1cc2c(c(c1)N)C(=O)CC2 TS40530 [0,1,0,1,0,0|0,0,0]=2 2671 B12R2.203 c1cc2c(c(c1)N)C(=O)NC2 TS91610 [0,1,0,1,0,0|1,0,0]=3 2672 B12R2.203 c1cc2c(c(c1)N)C(=O)OC2 TS40724 [0,1,0,1,0,0|1,0,0]=3 2673 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 TS85148 [0,1,0,1,0,0|0,0,0]=2 2674 B12R3.12 c1ccc2c(c1)CC3C2O3 TS09192 [0,0,0,2,0,0|0,0,2]=4 2675 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [1,0,0,0,1,0|0,0,1]=3 2676 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [1,0,0,0,1,0|2,0,0]=4 2677 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [1,0,0,0,1,0|2,0,0]=4 2678 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [1,0,0,0,1,0|1,0,0]=3 2679 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [1,0,0,0,1,0|1,0,0]=3 2680 B8R1.7 CC(=O)c1ccco1 TS04188 [1,0,0,0,1,0|1,0,0]=3 2681 B8R1.7 CC(=O)c1cccs1 TS08262 [1,0,0,0,1,0|1,0,0]=3 2682 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [1,0,0,0,1,0|2,0,0]=4 2683 B8R1.7 CC(=O)c1ccns1 TS05261 [1,0,0,0,1,0|2,0,0]=4 2684 B8R1.7 CC(=O)c1ccsc1 TS65833 [1,0,0,0,1,0|1,0,0]=3 2685 B8R1.7 CC(=O)c1cncs1 TS46736 [1,0,0,0,1,0|2,0,0]=4 2686 B8R1.7 CC(=O)c1nccs1 TS08261 [1,0,0,0,1,0|2,0,0]=4 2687 B8R1.7 CC(=O)n1cccn1 TS04194 [1,0,0,0,1,0|2,0,0]=4 2688 B8R1.7 CC(=O)n1ccnc1 TS93594 [1,0,0,0,1,0|2,0,0]=4 2689 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [1,0,0,0,1,0|2,0,0]=4 2690 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [1,0,0,0,1,0|2,0,0]=4 2691 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [1,0,0,0,1,0|2,0,0]=4 2692 B8R1.7 c1cc(oc1)C(=O)N TS04237 [1,0,0,0,1,0|2,0,0]=4 2693 B8R1.7 c1cc(oc1)C(=O)O TS04269 [1,0,0,0,1,0|2,0,0]=4 2694 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [1,0,0,0,1,0|2,0,0]=4 2695 B8R1.7 c1cc(sc1)C(=O)N TS05268 [1,0,0,0,1,0|2,0,0]=4 2696 B8R1.7 c1cc(sc1)C(=O)O TS59443 [1,0,0,0,1,0|2,0,0]=4 2697 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [1,0,0,0,1,0|2,0,0]=4 2698 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [1,0,0,0,1,0|2,0,0]=4 2699 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [1,0,0,0,1,0|1,0,1]=4 2700 B8R1.7 c1cocc1C(=O)Cl TS36565 [1,0,0,0,1,0|2,0,0]=4 2701 B8R1.7 c1cocc1C(=O)O TS02783 [1,0,0,0,1,0|2,0,0]=4 2702 B8R1.7 c1cocc1C(=O)O TS13775 [1,0,0,0,1,0|2,0,0]=4 2703 B8R1.7 c1cscc1C(=O)Cl TS22828 [1,0,0,0,1,0|2,0,0]=4 2704 B8R1.7 c1cscc1C(=O)O TS59444 [1,0,0,0,1,0|2,0,0]=4 2705 B8R1.8 CCCc1ccco1 TS31836 [1,0,0,0,1,0|1,0,1]=4 2706 B8R1.8 CCCc1cccs1 TS36171 [1,0,0,0,1,0|1,0,1]=4 2707 B8R1.8 CCCc1ccsc1 TS36172 [1,0,0,0,1,0|1,0,1]=4 2708 B8R1.8 CCNc1cccs1 TS36245 [1,0,0,0,1,0|2,0,0]=4 2709 B12R1.27 C=CC(=O)NCc1ccccc1 TS42309 [0,0,0,0,0,2|0,0,2]=4 2710 B12R1.27 C=CC(=O)OCc1ccccc1 TS01378 [0,0,0,0,0,2|0,0,2]=4 2711 B12R1.27 CCC(=O)CCc1ccccc1 TS08927 [0,0,0,0,0,2|0,0,0]=2 2712 B12R1.27 CCC(=O)NNc1ccccc1 TS42777 [0,0,0,0,0,2|0,0,0]=2 2713 B12R1.27 CCC(=O)OCc1ccccc1 TS42731 [0,0,0,0,0,2|0,0,0]=2 2714 B12R1.27 CCC(C#Cc1ccccc1)O TS42190 [0,0,0,0,0,2|0,0,2]=4 2715 B12R1.27 CNC(=S)NCc1ccccc1 TS14661 [0,0,0,0,0,2|1,1,0]=4 2716 B12R1.27 COC(=O)C#Cc1ccccc1 TS42134 [0,0,0,0,0,2|1,0,0]=3 2717 B12R1.27 COC(=O)C=Cc1ccccc1 TS42433 [0,0,0,0,0,2|1,0,0]=3 2718 B12R1.27 COC(=O)C=Cc1ccncc1 TS11686 [0,0,0,0,0,2|2,0,0]=4 2719 B12R1.27 COC(=O)CCc1ccccc1 TS08580 [0,0,0,0,0,2|1,0,0]=3 2720 B12R1.27 COC(=O)CCc1ccncc1 TS12012 [0,0,0,0,0,2|2,0,0]=4 2721 B12R1.27 COC(=O)COc1ccccc1 TS12178 [0,0,0,0,0,2|1,0,0]=3 2722 B12R1.27 COC(=O)CSc1ccccc1 TS15002 [0,0,0,0,0,2|1,0,0]=3 2723 B12R1.27 CSC(=S)NCc1ccccc1 TS18500 [0,0,0,0,0,2|1,1,0]=4 2724 B12R1.27 c1ccc(cc1)CCC(=O)NN TS42773 [0,0,0,0,0,2|2,0,0]=4 2725 B12R1.27 c1ccc(cc1)CCC(=O)NO TS42907 [0,0,0,0,0,2|2,0,0]=4 2726 B12R1.27 c1ccc(cc1)CNC(=O)CBr TS24462 [0,0,0,0,0,2|1,0,0]=3 2727 B12R1.27 c1ccc(cc1)CNC(=O)CCl TS48489 [0,0,0,0,0,2|1,0,0]=3 2728 B12R1.27 c1ccc(cc1)COC(=O)CBr TS59636 [0,0,0,0,0,2|1,0,0]=3 2729 B12R1.27 c1ccc(cc1)COC(=O)CCl TS48661 [0,0,0,0,0,2|1,0,0]=3 2730 B12R1.27 c1ccc(cc1)COC(=O)CN TS01384 [0,0,0,0,0,2|1,0,0]=3 2731 B12R1.27 c1ccc(cc1)COC(=O)CN TS42888 [0,0,0,0,0,2|1,0,0]=3 2732 B12R1.27 c1ccc(cc1)COC(=O)CN TS78338 [0,0,0,0,0,2|1,0,0]=3 2733 B12R1.27 c1ccc(cc1)COC(=O)CO TS12174 [0,0,0,0,0,2|1,0,0]=3 2734 B12R1.27 c1ccc(cc1)COC(=O)CS TS15006 [0,0,0,0,0,2|1,0,0]=3 2735 B12R1.27 c1ccc(cc1)COC(=O)NN TS01382 [0,0,0,0,0,2|2,0,0]=4 2736 B12R1.27 c1ccc(cc1)COC(=O)NN TS38352 [0,0,0,0,0,2|2,0,0]=4 2737 B12R1.27 c1ccc(cc1)COC(=O)NO TS43211 [0,0,0,0,0,2|2,0,0]=4 2738 B12R1.27 c1ccc(cc1)OCC(=O)OBr TS53117 [0,0,0,0,0,2|2,0,0]=4