0 B11R1.16 C1=CC(=CN=C1)C(=O)NCO PI-10800 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.16 C1=CC=C(C=C1)C(=O)N=C=O PI-50644 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [0,0,0,0,0,0|1,0,2]=3 7 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.16 CCOC(=O)C1=CC=NC=C1 PI-33278 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.16 CCOC(=O)C1=CN=CC=C1 PI-39994 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.16 CCOC(=O)c1ccccn1 PI-33276 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.16 N#CCC(C1=CC=NC=C1)=O PI-39619 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.16 S=C=NC(=O)c1ccccc1 PI-14851 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [1,0,0,0,0,0|1,0,2]=4 30 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.15 CCC(O)c1ccccc1 PI-31770 [1,0,0,0,0,0|0,0,2]=3 39 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [1,0,0,0,0,0|0,0,2]=3 42 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,0,0,0,0,0|1,0,1]=3 43 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [1,0,0,0,0,0|0,0,2]=3 44 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.15 COC(=O)c1ccccn1 PI-33273 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.15 COC(=O)c1ccncn1 PI-36498 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,0,0,0,0,0|1,0,2]=4 55 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,0,0,0,0,0|1,0,2]=4 56 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,0,0,0,0,0|1,0,2]=4 58 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,0,0,0,0,0|1,0,1]=3 66 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,0,0,0,0,0|1,1,1]=4 78 B10R1.17 N#C\C=C\c1ccccc1 PI-12934 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.17 NCCCc1ccccc1 PI-11351 [1,0,0,0,0,0|2,0,1]=4 80 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)Br PI-14507 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.16 C1=CC(=CC=C1C(=O)CC#N)I PI-50638 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Br PI-17566 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Cl PI-12841 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)F PI-28418 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.16 C1=CC(=CC=C1C(=O)N=C=S)Cl PI-23161 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N PI-29894 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl PI-12818 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F PI-26766 [0,1,0,0,0,0|1,0,0]=2 89 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O PI-31007 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.16 CCOC(=N)c1ccc(cc1)Br PI-36927 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br PI-50243 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C PI-50598 [0,1,0,0,0,0|0,0,0]=1 93 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl PI-34232 [0,1,0,0,0,0|0,0,0]=1 94 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F PI-16489 [0,1,0,0,0,0|0,0,0]=1 95 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N PI-12742 [0,1,0,0,0,0|0,0,0]=1 96 B12R1.16 CCOC(=O)C1=CN=C(C=C1)C PI-40838 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl PI-16734 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.16 CCOC(=O)C1=CN=C(C=C1)N PI-31799 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.16 CCOC(=O)C1=NC=C(C=C1)N PI-31925 [0,1,0,0,0,0|1,0,0]=2 100 B12R1.16 CCOC(=O)C1=NC=C(N=C1)C PI-50302 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.16 CCOC(=O)c1ccc(cc1)N PI-38042 [0,1,0,0,0,0|0,0,0]=1 102 B12R1.16 COCC(=O)C1=CC=C(C=C1)O PI-44114 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.16 N#CCC(=O)c1ccc(Cl)cc1 PI-23155 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.16 N#CCC(=O)c1ccc(cc1)F PI-23466 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.16 O=C(C1=CN=C(Cl)N=C1)OCC PI-37399 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.17 C1=CC(=CC(=C1)Cl)C(=O)CC#N PI-30316 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N PI-29676 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.17 CCOC(=O)C1=CC(=CC=C1)Cl PI-50247 [0,1,0,0,0,0|0,0,0]=1 109 B12R1.17 CCOC(=O)C1=CC(=CC=C1)F PI-34136 [0,1,0,0,0,0|0,0,0]=1 110 B12R1.17 CCOC(=O)C1=CC(=CC=C1)O PI-18902 [0,1,0,0,0,0|0,0,0]=1 111 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br PI-10174 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.17 CCOC(=O)C1=CC(=NC=C1)Cl PI-35025 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.17 CCOC(=O)C1=CC=CC(=C1)C PI-50248 [0,1,0,0,0,0|0,0,0]=1 114 B12R1.17 CCOC(=O)c1cccc(c1)N PI-12743 [0,1,0,0,0,0|0,0,0]=1 115 B12R1.17 CNCC(=O)C1=CC(=CC=C1)O PI-44651 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.17 N#CCC(=O)c1cccc(F)c1 PI-23465 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.17 N#CCC(C1=CC=CC(Br)=C1)=O PI-20540 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 PI-41287 [0,1,0,0,0,0|0,0,0]=1 119 B12R1.17 S=C=NC(=O)c1cccc(Cl)c1 PI-23160 [0,1,0,0,0,0|2,0,1]=4 120 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 PI-50399 [0,1,0,0,0,0|0,0,1]=2 121 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [0,1,0,0,0,0|1,0,0]=2 122 B12R1.30 CCCCN(C1=CC=CC=C1)N PI-29775 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [0,1,0,0,0,0|0,0,0]=1 124 B12R1.30 CNCCC(C1=CC=CC=C1)Cl PI-22762 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.30 CNCCC(c1ccccc1)O PI-31193 [0,1,0,0,0,0|1,0,2]=4 126 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 PI-11500 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.34 O\N=C(\C(=O)c1ccccc1)/C PI-38229 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.39 C1=CC=C(C=C1)S(=O)(=O)CCCl PI-20052 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] PI-21378 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [0,1,0,0,0,0|0,0,0]=1 131 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.107 NC(=S)NC(=O)c1ccccc1 PI-28687 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)Br PI-50632 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)Cl PI-30575 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)F PI-34244 [0,1,0,0,0,0|2,0,1]=4 137 B12R1.308 C1=CC=C(C(=C1)C(=O)N=C=S)Cl PI-23159 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.308 CCCC(=O)C1=CC=CC=C1O PI-15453 [0,1,0,0,0,0|1,0,0]=2 139 B12R1.308 CCOC(=O)C1=C(C=NC=C1)N PI-35281 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.308 CCOC(=O)C1=C(N=CC=C1)C PI-18257 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.308 CCOC(=O)C1=CC=CC=C1Br PI-50232 [0,1,0,0,0,0|0,0,0]=1 142 B12R1.308 CCOC(=O)C1=CC=CC=C1C PI-50249 [0,1,0,0,0,0|0,0,0]=1 143 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl PI-19869 [0,1,0,0,0,0|0,0,0]=1 144 B12R1.308 CCOC(=O)C1=CC=CC=C1F PI-34135 [0,1,0,0,0,0|0,0,0]=1 145 B12R1.308 CCOC(=O)C1=CC=CC=C1I PI-50555 [0,1,0,0,0,0|0,0,0]=1 146 B12R1.308 NC1=C(C(=O)OCC)C=CC=N1 PI-34709 [0,1,0,0,0,0|1,0,0]=2 147 B12R1.308 O=C(NCC)C1=C(Cl)N=CC=C1 PI-46731 [0,1,0,0,0,0|2,0,0]=3 148 B12R2.2 C1CC=C(C1)C2=CC=CC=C2 PI-49447 [0,0,0,1,0,0|2,0,0]=3 149 B12R2.2 C1CN=C(N1)C2=CC=CC=C2 PI-32322 [0,0,0,1,0,0|2,0,0]=3 150 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [0,0,0,1,0,0|2,0,1]=4 151 B12R2.2 C1COC(O1)C2=CC=CC=C2 PI-34778 [0,0,0,1,0,0|0,0,2]=3 152 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 PI-16442 [0,0,0,1,0,0|2,0,1]=4 153 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 PI-15386 [0,0,0,1,0,0|2,0,1]=4 154 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 PI-11697 [0,0,0,1,0,0|1,0,2]=4 155 B12R2.1081 C1CC(C2=CC=CC=C2C1)N PI-25359 [0,0,0,1,0,0|2,0,1]=4 156 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [0,0,0,1,0,0|1,0,2]=4 157 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [0,0,0,1,0,0|1,0,0]=2 158 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [0,0,0,1,0,0|1,0,0]=2 159 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [0,0,0,1,0,0|2,0,0]=3 160 B12R2.1081 C1CSC2=CC=CC=C2C1=O PI-44168 [0,0,0,1,0,0|2,0,0]=3 161 B12R2.1081 CN1CCCc2c1cccc2 PI-37581 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.1081 N1=CC=CC2=C1C(CCC2)=O PI-42243 [0,0,0,1,0,0|2,0,0]=3 163 B12R2.1081 O=C1CCCc2ncccc12 PI-36251 [0,0,0,1,0,0|2,0,0]=3 164 B12R2.1081 O=C1CCOc2c1cccc2 PI-10312 [0,0,0,1,0,0|2,0,0]=3 165 B12R2.1081 O=C1NN=NC2=CC=CC=C12 PI-40803 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [0,0,0,1,0,0|1,0,2]=4 167 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [0,0,0,1,0,0|1,0,2]=4 168 B12R2.2028 C1=CC2=C(C(=O)OC2=O)N=C1 PI-16702 [0,0,0,1,0,0|2,0,1]=4 169 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [0,0,0,1,0,0|1,0,0]=2 170 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [0,0,0,1,0,0|1,0,0]=2 171 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [0,0,0,1,0,0|2,0,1]=4 172 B12R2.2028 CN1C2=CC=CC=C2C(=N1)N PI-34974 [0,0,0,1,0,0|3,0,0]=4 173 B12R2.2028 O=C1NC(=O)c2c1cccc2 PI-33124 [0,0,0,1,0,0|2,0,1]=4 174 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O PI-40025 [0,0,0,0,1,0|2,0,0]=3 175 B10R1.11 CCCC(=O)C1=CC=CO1 PI-19566 [0,0,0,0,1,0|2,0,0]=3 176 B10R1.11 CCOC(=O)C1=CC=CO1 PI-45416 [0,0,0,0,1,0|1,0,0]=2 177 B10R1.11 CCOC(=O)C1=CN=CN1 PI-45041 [0,0,0,0,1,0|2,0,0]=3 178 B10R1.11 CCOC(=O)C1=CN=CO1 PI-41911 [0,0,0,0,1,0|2,0,0]=3 179 B10R1.11 CCOC(=O)C1=CSC=C1 PI-29710 [0,0,0,0,1,0|1,0,0]=2 180 B10R1.11 CCOC(=O)C1=CSC=N1 PI-25161 [0,0,0,0,1,0|2,0,0]=3 181 B10R1.11 CCOC(=O)C1=CSN=N1 PI-29560 [0,0,0,0,1,0|3,0,0]=4 182 B10R1.11 CCOC(=O)C1CC=CC1 PI-33720 [0,0,0,0,1,0|0,0,3]=4 183 B10R1.11 CCOC(=O)c1c[nH]nc1 PI-11547 [0,0,0,0,1,0|2,0,0]=3 184 B10R1.11 CCOC(=O)c1cc[nH]n1 PI-39369 [0,0,0,0,1,0|2,0,0]=3 185 B10R1.11 CCOC(=O)c1ccc[nH]1 PI-19322 [0,0,0,0,1,0|1,0,0]=2 186 B10R1.11 CCOC(=O)c1cccs1 PI-11165 [0,0,0,0,1,0|1,0,0]=2 187 B10R1.11 CCOC(=O)c1cocc1 PI-13055 [0,0,0,0,1,0|1,0,0]=2 188 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [0,0,0,0,0,1|1,0,0]=2 189 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [0,0,0,0,0,1|1,0,0]=2 190 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [0,0,0,0,0,1|1,0,0]=2 191 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [0,0,0,0,0,1|0,0,0]=1 192 B12R1.32 O=C(OCC)CC1=NC=CC=N1 PI-46779 [0,0,0,0,0,1|2,0,0]=3 193 B9R0.5 CCOC(=O)C=CC=CC PI-15819 [1,0,1,0,0,0|0,0,1]=3 194 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [2,0,0,0,0,0|1,0,0]=3 200 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.6 CC(=O)c1cccnc1 PI-32250 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.6 CC(=O)c1ccncc1 PI-38297 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [2,0,0,0,0,0|1,0,1]=4 211 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [2,0,0,0,0,0|0,0,2]=4 213 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [2,0,0,0,0,0|1,0,1]=4 214 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [2,0,0,0,0,0|1,0,1]=4 215 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [2,0,0,0,0,0|0,0,2]=4 216 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [2,0,0,0,0,0|1,1,0]=4 217 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.6 NC(=N)c1ccccc1 PI-30200 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.6 NC(=O)c1cccnc1 PI-12870 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.6 NC(=S)c1ccccc1 PI-29356 [2,0,0,0,0,0|1,1,0]=4 221 B9R1.6 OB(O)c1ccccc1 PI-16480 [2,0,0,0,0,0|1,0,1]=4 222 B9R1.6 OC(=O)c1cccnc1 PI-15824 [2,0,0,0,0,0|1,0,0]=3 223 B9R1.6 OC(=O)c1ccncn1 PI-32629 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [2,0,0,0,0,0|1,0,1]=4 225 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [2,0,0,0,0,0|1,0,1]=4 226 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [2,0,0,0,0,0|1,0,1]=4 227 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [2,0,0,0,0,0|1,0,1]=4 228 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [2,0,0,0,0,0|0,0,2]=4 229 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [2,0,0,0,0,0|1,0,1]=4 230 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [2,0,0,0,0,0|1,0,1]=4 231 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [2,0,0,0,0,0|1,0,1]=4 232 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.8 CCOC1=NC=CN=C1 PI-11039 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.8 COCC1=CC=CC=C1 PI-19695 [2,0,0,0,0,0|0,0,1]=3 236 B9R1.8 COCc1ccccn1 PI-38670 [2,0,0,0,0,0|1,0,1]=4 237 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [2,0,0,0,0,0|0,0,1]=3 238 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [2,0,0,0,0,0|0,0,1]=3 239 B9R1.8 NOCc1ccccc1 PI-11329 [2,0,0,0,0,0|1,0,1]=4 240 B11R1.7 C1=CC=C(C=C1)S(=O)(=O)CF PI-46454 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.7 CCC(C)(C)C1=CC=CC=C1 PI-12312 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 PI-29736 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 PI-37901 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.12 CCC(C#N)C1=CC=CC=C1 PI-11343 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.12 CCN(CC)C1=CC=CC=C1 PI-49995 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.22 BrC1=CC=C(C(CBr)=O)C=N1 PI-41793 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [1,1,0,0,0,0|0,0,0]=2 272 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [1,1,0,0,0,0|0,0,0]=2 273 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [1,1,0,0,0,0|0,0,0]=2 274 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [1,1,0,0,0,0|0,0,0]=2 277 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [1,1,0,0,0,0|0,0,0]=2 278 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [1,1,0,0,0,0|0,0,0]=2 279 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl PI-35905 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl PI-40861 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [1,1,0,0,0,0|0,0,0]=2 284 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [1,1,0,0,0,0|0,0,0]=2 292 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.23 BrCC(=O)c1cccc(Br)c1 PI-22228 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.23 C1=C(C=CC=C1C(OC)=O)O PI-18286 [1,1,0,0,0,0|0,0,0]=2 295 B11R1.23 C1=CC(=CC(=C1)Br)C(=O)NN PI-20531 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)NN PI-23137 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.23 C1=CC(=CC(=C1)F)C(=O)CBr PI-31564 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN PI-23455 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN PI-50336 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.23 C1=CC(=CC(=C1)N)C(=O)NN PI-30136 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PI-24087 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.23 CC1=CC(=CC=C1)C(=O)OC PI-50285 [1,1,0,0,0,0|0,0,0]=2 305 B11R1.23 CCC(=O)C1=CC(=CC=C1)F PI-28550 [1,1,0,0,0,0|0,0,0]=2 306 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [1,1,0,0,0,0|0,0,0]=2 307 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [1,1,0,0,0,0|0,0,0]=2 308 B11R1.23 CCN(C1=CC=CC(=C1)C)N PI-30000 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.23 CNC(=O)C1=CC(=CC=C1)N PI-17436 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.23 CNC(=O)c1cc(Cl)ccn1 PI-35278 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.23 COC(=O)C1=CC(=CC=C1)Br PI-29779 [1,1,0,0,0,0|0,0,0]=2 312 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl PI-14890 [1,1,0,0,0,0|0,0,0]=2 313 B11R1.23 COC(=O)C1=CC(=CC=C1)F PI-34142 [1,1,0,0,0,0|0,0,0]=2 314 B11R1.23 COC(=O)C1=CC(=NC=C1)Cl PI-35024 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.23 COC(=O)C1=CN=CC(=N1)Br PI-50062 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.23 COC(=O)C1=NC(=CC=C1)Cl PI-35288 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.23 COC(=O)C1=NC(=NC=C1)Cl PI-42080 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.23 COC(=O)c1cc(Cl)ccn1 PI-34710 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.23 COC(=O)c1cc(I)ccn1 PI-38432 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PI-38426 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.23 COC(=O)c1cccc(c1)N PI-10944 [1,1,0,0,0,0|0,0,0]=2 322 B11R1.23 COC(=O)c1cccc(n1)Br PI-38915 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.23 COC(=O)c1ccnc(c1)Br PI-39300 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.23 COC(=O)c1ccnc(c1)N PI-27027 [1,1,0,0,0,0|1,0,0]=3 325 B11R1.23 COC(=O)c1cncc(Br)c1 PI-22189 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.23 COC(=O)c1cnnc(c1)Cl PI-38433 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 PI-41906 [1,1,0,0,0,0|0,0,0]=2 328 B11R1.36 C1=CC=C(C=C1)C(=O)C(Cl)Cl PI-25399 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [1,1,0,0,0,0|0,0,0]=2 330 B11R1.36 O=C(C(=O)C)c1ccccc1 PI-32566 [1,1,0,0,0,0|0,0,1]=3 331 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [1,1,0,0,0,0|1,0,1]=4 332 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br PI-50495 [1,1,0,0,0,0|2,0,0]=4 337 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [1,1,0,0,0,0|2,0,0]=4 338 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)N PI-30252 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.222 CC1=C(C=CC=N1)C(=O)OC PI-13128 [1,1,0,0,0,0|1,0,0]=3 341 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [1,1,0,0,0,0|0,0,0]=2 344 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [1,1,0,0,0,0|0,0,0]=2 345 B11R1.222 COC(=O)C1=C(C=CC=N1)Cl PI-34713 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.222 COC(=O)C1=C(C=CN=C1)N PI-33897 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.222 COC(=O)C1=C(C=NC=C1)O PI-34886 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl PI-24397 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.222 COC(=O)C1=C(N=CC=C1)N PI-35287 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.222 COC(=O)C1=CC=CC=C1Br PI-50462 [1,1,0,0,0,0|0,0,0]=2 351 B11R1.222 COC(=O)C1=CC=CC=C1Cl PI-34231 [1,1,0,0,0,0|0,0,0]=2 352 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [1,1,0,0,0,0|0,0,0]=2 353 B11R1.222 COC(=O)C1=CC=CC=C1S PI-50244 [1,1,0,0,0,0|0,0,0]=2 354 B11R1.222 COC(=O)C1=NC=CN=C1N PI-10107 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.222 COC(=O)c1ccccc1I PI-10942 [1,1,0,0,0,0|0,0,0]=2 356 B11R1.222 COC(=O)c1ccncc1Br PI-38429 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.222 COC(=O)c1ccncc1Cl PI-36383 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.222 COC(=O)c1ccncc1N PI-35280 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.222 COC(=O)c1ncccc1N PI-39311 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.222 COC(=O)c1ncccc1O PI-31931 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.222 COC(=O)c1nccnc1Cl PI-38428 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.222 O=C(C1=CC=CNC1=O)OC PI-40201 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.222 O=C(C1=NC=CC=C1Br)OC PI-39663 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.222 OC1=NC=CN=C1C(=O)OC PI-40997 [1,1,0,0,0,0|2,0,0]=4 365 B11R1.222 ONC(=O)c1ccccc1O PI-31365 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [1,1,0,0,0,0|1,0,1]=4 367 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [1,1,0,0,0,0|1,0,1]=4 368 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [1,1,0,0,0,0|1,0,1]=4 369 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [1,1,0,0,0,0|2,0,0]=4 371 B11R1.1 CCOCC1=CN=C(C=C1)N PI-44053 [1,1,0,0,0,0|1,0,1]=4 372 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [1,1,0,0,0,0|1,0,1]=4 373 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [1,1,0,0,0,0|1,0,1]=4 374 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [1,1,0,0,0,0|0,0,1]=3 375 B11R1.28 C1=CC=C(C=C1)NCCCO PI-46938 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [1,1,0,0,0,0|1,0,1]=4 378 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [1,1,0,0,0,0|1,0,1]=4 379 B11R1.28 NCCOCc1ccccc1 PI-36880 [1,1,0,0,0,0|0,0,1]=3 380 B11R1.28 OCCOCc1ccccc1 PI-24526 [1,1,0,0,0,0|0,0,1]=3 381 B11R1.28 OCCSCc1ccccc1 PI-20759 [1,1,0,0,0,0|0,1,1]=4 382 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [1,1,0,0,0,0|1,0,1]=4 383 B11R1.91 CC(C)N=CC1=CC=CC=C1 PI-19838 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [1,1,0,0,0,0|1,0,1]=4 385 B11R1.91 CN(C)N=CC1=CC=CC=C1 PI-26056 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,1,0,0,0,0|1,0,1]=4 388 B11R1.15 C1=C(C(OCC)=O)N=C(S1)Br PI-22058 [0,1,0,0,1,0|2,0,0]=4 389 B11R1.15 CCOC(=O)C1=CC=C(O1)Br PI-44552 [0,1,0,0,1,0|1,0,0]=3 390 B11R1.15 CCOC(=O)C1=CC=C(S1)Cl PI-26757 [0,1,0,0,1,0|1,0,0]=3 391 B11R1.15 CCOC(=O)C1=CN=C(S1)Br PI-27579 [0,1,0,0,1,0|2,0,0]=4 392 B11R1.15 CCOC(=O)C1=CNC(=S)N1 PI-48824 [0,1,0,0,1,0|2,0,0]=4 393 B11R1.15 CCOC(=O)C1=CSC(=C1)Br PI-35048 [0,1,0,0,1,0|1,0,0]=3 394 B11R1.15 CCOC(=O)C1=CSC(=N1)C PI-29820 [0,1,0,0,1,0|2,0,0]=4 395 B11R1.15 CCOC(=O)C1=NOC(=C1)C PI-29478 [0,1,0,0,1,0|2,0,0]=4 396 B11R1.15 CCOC(=O)c1ccn(n1)C PI-40531 [0,1,0,0,1,0|2,0,0]=4 397 B11R1.15 CCOC(=O)c1cnc(o1)Cl PI-38219 [0,1,0,0,1,0|2,0,0]=4 398 B11R1.15 CCOC(=O)c1cnc(s1)Cl PI-39163 [0,1,0,0,1,0|2,0,0]=4 399 B11R1.15 CCOC(=O)c1csc(n1)N PI-11141 [0,1,0,0,1,0|2,0,0]=4 400 B11R1.15 CCOC(=O)c1csc(n1)N PI-36790 [0,1,0,0,1,0|2,0,0]=4 401 B11R1.29 O=C(C1=CC=CS1)CCCCl PI-17459 [0,1,0,0,1,0|2,0,0]=4 402 B11R1.199 CCOC(=O)C1=C(C=CN1)N PI-34845 [0,1,0,0,1,0|1,0,0]=3 403 B11R1.199 CCOC(=O)C1=C(N=CS1)N PI-41765 [0,1,0,0,1,0|2,0,0]=4 404 B11R1.199 CCOC(=O)C1=C(OC=C1)C PI-17357 [0,1,0,0,1,0|1,0,0]=3 405 B11R1.199 CCOC(=O)C1=C(SC=C1)Br PI-50038 [0,1,0,0,1,0|1,0,0]=3 406 B11R1.199 CCOC(=O)C1=C(SC=C1)N PI-27474 [0,1,0,0,1,0|1,0,0]=3 407 B11R1.199 CCOC(=O)c1c[nH]nc1N PI-13602 [0,1,0,0,1,0|2,0,0]=4 408 B11R1.199 CCOC(=O)c1n[nH]cc1C PI-38925 [0,1,0,0,1,0|2,0,0]=4 409 B11R1.199 CCOC(=O)c1nccn1C PI-38402 [0,1,0,0,1,0|2,0,0]=4 410 B11R1.199 CCOC(=O)c1ocnc1C PI-24809 [0,1,0,0,1,0|2,0,0]=4 411 B11R1.199 O=C(C1=C(Br)SC=N1)OCC PI-46671 [0,1,0,0,1,0|2,0,0]=4 412 B11R1.199 O=C(C1=C(Cl)SC=N1)OCC PI-46672 [0,1,0,0,1,0|2,0,0]=4 413 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Br PI-26128 [0,1,0,0,0,1|0,0,0]=2 414 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl PI-50328 [0,1,0,0,0,1|0,0,0]=2 415 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)F PI-50266 [0,1,0,0,0,1|0,0,0]=2 416 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N PI-29684 [0,1,0,0,0,1|0,0,0]=2 417 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 PI-11993 [0,1,0,0,0,1|0,0,0]=2 418 B13R1.19 CCOC(=O)Cc1ccc(cc1)C PI-38408 [0,1,0,0,0,1|0,0,0]=2 419 B13R1.19 ClCCC(=O)Nc1ccc(Br)cc1 PI-22254 [0,1,0,0,0,1|2,0,0]=4 420 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)O PI-50435 [0,1,0,0,0,1|0,0,0]=2 421 B13R1.20 CCOC(=O)Cc1cccc(N)n1 PI-36058 [0,1,0,0,0,1|1,0,0]=3 422 B13R1.20 COCC(=O)NC1=CC(=CC=C1)Br PI-48972 [0,1,0,0,0,1|2,0,0]=4 423 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 PI-50438 [0,1,0,0,0,1|0,0,1]=3 424 B13R1.47 CCOC(=O)C(=C)C1=CC=CC=C1 PI-46945 [0,1,0,0,0,1|0,0,0]=2 425 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 PI-28187 [0,1,0,0,0,1|0,0,0]=2 426 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)Br PI-26529 [0,1,0,0,0,1|0,0,0]=2 427 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N PI-17842 [0,1,0,0,0,1|0,0,0]=2 428 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N PI-22047 [0,1,0,0,0,1|0,0,0]=2 429 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-47031 [0,1,0,0,0,1|0,0,0]=2 430 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-50235 [0,1,0,0,0,1|0,0,0]=2 431 B13R1.348 CC(C)NC(=S)NC1=CC=CC=C1 PI-19151 [0,1,0,0,0,1|1,1,0]=4 432 B13R1.470 CCOC(=O)CC1=CC=CC=C1Cl PI-50418 [0,1,0,0,0,1|0,0,0]=2 433 B13R1.470 CCOC(=O)CC1=CC=CC=C1F PI-50404 [0,1,0,0,0,1|0,0,0]=2 434 B13R1.470 CCOC(=O)CC1=CC=CC=C1N PI-30787 [0,1,0,0,0,1|0,0,0]=2 435 B13R1.470 CCOC(=O)CC1=CC=CC=C1O PI-50578 [0,1,0,0,0,1|0,0,0]=2 436 B13R1.470 CCOC(=O)CC1=CN=CN=C1Cl PI-45133 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.470 CCOC(=O)CC1=CN=CNC1=O PI-45150 [0,1,0,0,0,1|2,0,0]=4 438 B13R1.470 CCOC(=O)Cc1ccccc1C PI-30581 [0,1,0,0,0,1|0,0,0]=2 439 B13R1.398 CCOC(C1=CC=CC=C1)OCC PI-27905 [0,2,0,0,0,0|0,0,2]=4 440 B13R1.17 C1=CC(=CC=C1C(=O)CCCCl)F PI-28473 [0,2,0,0,0,0|1,0,0]=3 441 B13R1.17 C1=CC(=CC=C1C(=O)CCCCl)O PI-19859 [0,2,0,0,0,0|1,0,0]=3 442 B13R1.17 C1=CC(=CC=C1C(=O)NCCO)N PI-28631 [0,2,0,0,0,0|1,0,0]=3 443 B13R1.17 C1=CC(=NC=C1Cl)C(=O)NCCN PI-44007 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Br PI-26872 [0,2,0,0,0,0|1,0,0]=3 445 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Cl PI-12720 [0,2,0,0,0,0|1,0,0]=3 446 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)O PI-12345 [0,2,0,0,0,0|1,0,0]=3 447 B13R1.17 NCCNC(=O)c1ccc(cc1)Cl PI-30987 [0,2,0,0,0,0|1,0,0]=3 448 B13R1.29 CC1=CC=C(C=C1)S(=O)(=O)OCF PI-46453 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)Br PI-19281 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)N PI-15892 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 PI-40768 [0,2,0,0,0,0|1,0,1]=4 452 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F PI-38943 [0,2,0,0,0,0|1,0,1]=4 453 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)O PI-13839 [0,2,0,0,0,0|0,0,0]=2 454 B13R1.132 O=C(OC(C)C)C1=CC=C(N)C=C1 PI-19238 [0,2,0,0,0,0|0,0,0]=2 455 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C#N PI-18851 [0,2,0,0,0,0|0,0,0]=2 456 B13R1.452 CCOC(=O)C1=CC=C(C=C1)C=C PI-49775 [0,2,0,0,0,0|0,0,0]=2 457 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr PI-22127 [0,2,0,0,0,0|0,0,0]=2 458 B13R1.452 CCOC(=O)C1=CN=C(N=C1)SC PI-40258 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.452 CCOC(=O)c1ccc(OC)cc1 PI-31767 [0,2,0,0,0,0|0,0,0]=2 460 B13R1.452 CCOC(=O)c1ccc(cc1)CCl PI-24058 [0,2,0,0,0,0|0,0,0]=2 461 B13R1.452 COC1=CC=C(C=C1)C(=O)CCCl PI-12838 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)Cl PI-50618 [0,2,0,0,0,0|0,0,0]=2 463 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)F PI-22083 [0,2,0,0,0,0|0,0,0]=2 464 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)N PI-27604 [0,2,0,0,0,0|0,0,0]=2 465 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)Br PI-50672 [0,2,0,0,0,0|0,0,0]=2 466 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)N PI-29525 [0,2,0,0,0,0|0,0,0]=2 467 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)O)O PI-22087 [0,2,0,0,0,0|0,0,0]=2 468 B13R1.466 CCOC(=O)C1=CC(=O)C(=CO1)O PI-48400 [0,2,0,0,0,0|1,0,0]=3 469 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)Cl PI-40217 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Br)F PI-50619 [0,2,0,0,0,0|0,0,0]=2 471 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)C)C PI-19461 [0,2,0,0,0,0|0,0,0]=2 472 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)F PI-50620 [0,2,0,0,0,0|0,0,0]=2 473 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)F PI-29056 [0,2,0,0,0,0|0,0,0]=2 474 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)O)O PI-50278 [0,2,0,0,0,0|0,0,0]=2 475 B13R1.1511 CCOC(=O)C1=C(NC(=S)N=C1)N PI-19903 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.1511 CCOC(=O)C1=CN=C(C=C1Cl)Cl PI-44720 [0,2,0,0,0,0|1,0,0]=3 477 B13R1.1511 CCOC(=O)C1=CN=C(NC1=O)C PI-20821 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.1511 CCOC(=O)C1=CNC(=S)NC1=O PI-21339 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.1511 CCOC(=O)c1c(C)cc(=O)oc1 PI-15704 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.1511 CCOC(=O)c1cnc(Cl)nc1Cl PI-36492 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.1511 CCOC(=O)c1cnc(N)nc1O PI-30170 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.1511 CCOC(=O)c1cnc(cc1N)Cl PI-39006 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.1511 CCOC(=O)c1cnc(cc1O)O PI-36937 [0,2,0,0,0,0|1,0,0]=3 484 B13R1.12 CCOC(=O)C1=C(C(=CC=C1)O)F PI-49268 [0,2,0,0,0,0|0,0,0]=2 485 B13R1.12 CCOC(=O)C1=C(C(=CC=C1)O)O PI-44073 [0,2,0,0,0,0|0,0,0]=2 486 B13R1.12 CCOC(=O)C1=C(C(=NC=C1)C)C PI-34990 [0,2,0,0,0,0|1,0,0]=3 487 B13R1.30 O=S(C1=CC=CC(Br)=C1)(NCC)=O PI-19954 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.147 CC(C)OC(=O)C1=CC(=CC=C1)N PI-50595 [0,2,0,0,0,0|0,0,0]=2 489 B13R1.446 CCOC(=O)C1=C(C=CC(=C1)Br)Cl PI-19892 [0,2,0,0,0,0|0,0,0]=2 490 B13R1.446 CCOC(=O)C1=C(C=CC(=C1)Br)N PI-50521 [0,2,0,0,0,0|0,0,0]=2 491 B13R1.446 CCOC(=O)C1=C(C=CC(=C1)Br)O PI-50604 [0,2,0,0,0,0|0,0,0]=2 492 B13R1.446 CCOC(=O)C1=C(C=CC(=C1)Cl)Br PI-50611 [0,2,0,0,0,0|0,0,0]=2 493 B13R1.446 CCOC(=O)C1=C(C=CC(=C1)Cl)Cl PI-19477 [0,2,0,0,0,0|0,0,0]=2 494 B13R1.446 CCOC(=O)C1=C(C=CC(=C1)F)Br PI-50616 [0,2,0,0,0,0|0,0,0]=2 495 B13R1.446 CCOC(=O)C1=C(C=CC(=C1)F)F PI-50613 [0,2,0,0,0,0|0,0,0]=2 496 B13R1.446 O=C(C1=CC(Cl)=NNC1=O)OCC PI-46713 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.446 O=C(OCC)C1=C(C)N=CC(Br)=C1 PI-41784 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.450 CCOC(=O)C1=CC(=CC(=C1)C)C PI-19307 [0,2,0,0,0,0|0,0,0]=2 499 B13R1.450 CCOC(=O)C1=CC(=CC(=C1)Cl)Cl PI-22076 [0,2,0,0,0,0|0,0,0]=2 500 B13R1.450 CCOC(=O)C1=CC(=CC(=C1)F)F PI-50617 [0,2,0,0,0,0|0,0,0]=2 501 B13R1.450 CCOC(=O)C1=CC(=NC(=N1)C)Cl PI-45134 [0,2,0,0,0,0|2,0,0]=4 502 B13R1.450 O=C(C1=NC(Cl)=CC(Cl)=N1)OCC PI-46658 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.450 O=C(OCC)C1=CC(O)=CC(O)=C1 PI-18540 [0,2,0,0,0,0|0,0,0]=2 504 B13R1.460 CCOC(=O)C1=CC(=CC=C1)OC PI-50322 [0,2,0,0,0,0|0,0,0]=2 505 B13R1.460 CCOC(=O)C1=CC(=NC=C1)OC PI-35026 [0,2,0,0,0,0|1,0,0]=3 506 B13R1.460 CCOC(=O)C1=CC=CC(=C1)C#N PI-50640 [0,2,0,0,0,0|0,0,0]=2 507 B13R1.460 CCOC(=O)c1cccc(CBr)n1 PI-36296 [0,2,0,0,0,0|1,0,0]=3 508 B13R1.45 C1=CC=C(C=C1)C(=O)NCC(=O)O PI-48841 [0,2,0,0,0,0|1,0,1]=4 509 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 PI-26318 [0,2,0,0,0,0|0,0,1]=3 510 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 PI-50390 [0,2,0,0,0,0|0,0,0]=2 511 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 PI-34628 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.674 C=CCOC(=O)C1=CC=CC=C1N PI-50402 [0,2,0,0,0,0|0,0,1]=3 513 B13R1.674 CCCOC(=O)C1=CC=CC=C1O PI-50398 [0,2,0,0,0,0|0,0,0]=2 514 B13R1.86 CCN(CC)C(=O)C1=CC=CC=C1 PI-30205 [0,2,0,0,0,0|1,0,0]=3 515 B13R1.86 CCN(CC)C(=O)C1=CN=CC=C1 PI-49041 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.152 CC(C(=O)C)C(=O)C1=CC=CC=C1 PI-44074 [0,2,0,0,0,0|1,0,1]=4 517 B13R1.201 CC(C)NC(=O)C1=CC=CC=C1O PI-19714 [0,2,0,0,0,0|1,0,0]=3 518 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1N PI-19239 [0,2,0,0,0,0|0,0,0]=2 519 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 PI-22878 [0,2,0,0,0,0|1,0,0]=3 520 B13R1.464 CCOC(=O)C1=CC=CC=C1C=O PI-44087 [0,2,0,0,0,0|0,0,0]=2 521 B13R1.464 CCOC(=O)C1=CC=CC=C1CBr PI-34754 [0,2,0,0,0,0|0,0,0]=2 522 B13R1.464 CCOC(=O)C1=CC=CC=C1OC PI-13750 [0,2,0,0,0,0|0,0,0]=2 523 B13R1.4453 CCCC(=O)C1=C(C=CC=C1F)F PI-26989 [0,2,0,0,0,0|1,0,0]=3 524 B13R1.4453 CCOC(=O)C1=C(C=CC=C1C)C PI-19504 [0,2,0,0,0,0|0,0,0]=2 525 B13R1.4453 CCOC(=O)C1=C(C=CC=C1Cl)Cl PI-50417 [0,2,0,0,0,0|0,0,0]=2 526 B13R1.4453 CCOC(=O)C1=C(C=CC=C1F)F PI-50307 [0,2,0,0,0,0|0,0,0]=2 527 B13R1.4453 CCOC(=O)C1=C(C=CN=C1C)C PI-19512 [0,2,0,0,0,0|1,0,0]=3 528 B13R1.4453 CCOC(=O)c1c(C)cccc1O PI-16535 [0,2,0,0,0,0|0,0,0]=2 529 B11R1.30 CCOC(=O)CC1=CC=CS1 PI-19733 [0,0,1,1,0,0|1,0,1]=4 530 B11R1.30 CCOC(=O)CC1=CSC=C1 PI-19515 [0,0,1,1,0,0|1,0,1]=4 531 B11R1.189 CCOC1=CC=CC(=C1)C=O PI-27357 [0,0,1,1,0,0|2,0,0]=4 532 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [1,0,0,1,0,0|1,0,1]=4 533 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [1,0,0,1,0,0|2,0,0]=4 534 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [1,0,0,1,0,0|1,0,0]=3 535 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [1,0,0,1,0,0|1,0,0]=3 536 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [1,0,0,1,0,0|1,0,0]=3 537 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [1,0,0,1,0,0|0,0,0]=2 538 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [1,0,0,1,0,0|1,0,1]=4 539 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [1,0,0,1,0,0|1,0,1]=4 540 B11R2.1 NC1CCc2ccccc12 PI-24340 [1,0,0,1,0,0|1,0,1]=4 541 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [1,0,0,1,0,0|1,0,1]=4 542 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [1,0,0,1,0,0|1,0,0]=3 543 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [1,0,0,1,0,0|0,0,0]=2 544 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [1,0,0,1,0,0|1,1,0]=4 545 B11R2.40 CC1(CO1)C2=CC=CC=C2 PI-47223 [1,0,0,1,0,0|1,0,1]=4 546 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [1,0,0,1,0,0|1,0,0]=3 547 B11R2.20 C1CCc2ccccc2N1 PI-32264 [1,0,0,1,0,0|2,0,0]=4 548 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [1,0,0,1,0,0|1,0,0]=3 549 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [1,0,0,1,0,0|1,0,1]=4 550 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [1,0,0,1,0,0|1,0,1]=4 551 B11R2.238 C1CC1Sc2ccccc2 PI-25166 [1,0,0,1,0,0|2,0,0]=4 552 B11R2.106 O=C1CCCc2occc12 PI-27242 [0,0,0,1,1,0|2,0,0]=4 553 B11R2.1031 C1CC1C(=O)C2=CC=CS2 PI-19772 [0,0,0,1,1,0|2,0,0]=4 554 B13R2.15 C1CC(=O)N(C1)C2=CC=CC=C2 PI-13565 [0,0,0,1,0,1|1,0,0]=3 555 B13R2.26 CCCC1=NC2=CC=CC=C2N1 PI-45292 [0,0,0,1,0,1|2,0,0]=4 556 B13R2.135 CCN1C(=NC2=CC=CC=C21)C PI-32333 [0,0,0,1,0,1|2,0,0]=4 557 B13R2.163 O=C1CCCc2c(N1)cccc2 PI-22730 [0,0,0,1,0,1|1,0,0]=3 558 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 PI-16185 [0,0,0,1,0,1|1,0,1]=4 559 B13R2.3 C1(C2=CC=CC=C2)=CCNCC1 PI-32093 [0,1,0,1,0,0|2,0,0]=4 560 B13R2.3 C1CNCC=C1C2=CC=CC=C2 PI-25561 [0,1,0,1,0,0|2,0,0]=4 561 B13R2.3 C1OC[C@H](NC1)c2ccccc2 PI-36338 [0,1,0,1,0,0|1,0,1]=4 562 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 PI-30093 [0,1,0,1,0,0|1,0,1]=4 563 B13R2.1613 C1CC2=CC=CC=C2C(=NO)C1 PI-17087 [0,1,0,1,0,0|1,0,1]=4 564 B13R2.2931 CN1C2=CC=CC=C2C(=N1)C=O PI-45197 [0,1,0,1,0,0|2,0,0]=4 565 B13R2.2931 CN1C=C(C2=CC=CC=C21)C=O PI-27294 [0,1,0,1,0,0|2,0,0]=4 566 B13R2.12 C1COC(O1)C2=CC=C(C=C2)Br PI-27062 [0,1,0,1,0,0|0,0,2]=4 567 B13R2.520 C1CC1C(=O)C2=CC=C(C=C2)Br PI-48176 [0,1,0,1,0,0|1,0,0]=3 568 B13R2.520 O=C(c1ccc(cc1)Cl)C2CC2 PI-12280 [0,1,0,1,0,0|1,0,0]=3 569 B13R2.520 O=C(c1ccc(cc1)F)C2CC2 PI-20930 [0,1,0,1,0,0|1,0,0]=3 570 B13R2.5179 BrC1=CC=C2C(=C1)OCCC2=O PI-32698 [0,1,0,1,0,0|2,0,0]=4 571 B13R2.5179 C1C2=C(C=CC(=C2)Br)C(=O)CO1 PI-32719 [0,1,0,1,0,0|2,0,0]=4 572 B13R2.5179 C1CC2=C(C=CC(=C2)Br)C(=O)C1 PI-32678 [0,1,0,1,0,0|1,0,0]=3 573 B13R2.5179 C1CC2=C(C=CC(=C2)Cl)C(=O)C1 PI-32677 [0,1,0,1,0,0|1,0,0]=3 574 B13R2.5179 C1CC2=C(C=CC(=C2)I)C(=O)C1 PI-32679 [0,1,0,1,0,0|1,0,0]=3 575 B13R2.5179 C1CC2=C(C=CC(=C2)N)C(=O)C1 PI-31792 [0,1,0,1,0,0|1,0,0]=3 576 B13R2.5179 C1CNC(=O)C2=C1C=C(C=C2)F PI-48157 [0,1,0,1,0,0|1,0,0]=3 577 B13R2.5179 C1COC2=C(C1=O)C=CC(=C2)F PI-32696 [0,1,0,1,0,0|2,0,0]=4 578 B13R2.5179 Clc1ccc2c(c1)OCCC2=O PI-32697 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.5179 O=C1CCCC2=C1C=CC(C)=C2 PI-40565 [0,1,0,1,0,0|1,0,0]=3 580 B13R2.5179 O=C1CCCC2=C1C=CC(F)=C2 PI-32676 [0,1,0,1,0,0|1,0,0]=3 581 B13R2.5179 O=C1NCCC2=C1C=CC(N)=C2 PI-38343 [0,1,0,1,0,0|1,0,0]=3 582 B13R2.5179 Oc1ccc2c(c1)CCCC2=O PI-38351 [0,1,0,1,0,0|1,0,0]=3 583 B13R2.5187 Brc1ccc2C(=O)OC(=O)c2c1 PI-22575 [0,1,0,1,0,0|1,0,1]=4 584 B13R2.5187 C1=C(Cl)C=CC2=C1C(OC2=O)=O PI-16083 [0,1,0,1,0,0|1,0,1]=4 585 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O PI-10664 [0,1,0,1,0,0|1,0,1]=4 586 B13R2.5187 C1=CC2=C(C=C1O)C(=O)OC2=O PI-45413 [0,1,0,1,0,0|1,0,1]=4 587 B13R2.5187 Cc1ccc2c(c1)C(=O)OC2=O PI-31763 [0,1,0,1,0,0|1,0,1]=4 588 B13R2.13 C1COC(O1)C2=CC(=CC=C2)Br PI-27278 [0,1,0,1,0,0|0,0,2]=4 589 B13R2.13 C1COC(O1)C2=CC(=CC=C2)N PI-27818 [0,1,0,1,0,0|0,0,2]=4 590 B13R2.162 Brc1ccc2c(c1)C(=O)CCO2 PI-15392 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.162 C1C2=C(C=C(C=C2)Br)C(=O)CO1 PI-32725 [0,1,0,1,0,0|2,0,0]=4 592 B13R2.162 C1CC2=C(C(=O)C1)N=C(C=C2)Cl PI-48168 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.162 C1CC2=C(C=C(C=C2)Br)C(=O)C1 PI-17774 [0,1,0,1,0,0|1,0,0]=3 594 B13R2.162 C1CC2=C(C=C(C=C2)I)C(=O)C1 PI-32683 [0,1,0,1,0,0|1,0,0]=3 595 B13R2.162 C1CNC(=O)C2=C1C=CC(=C2)Br PI-41660 [0,1,0,1,0,0|1,0,0]=3 596 B13R2.162 C1COC2=C(C1=O)C=C(C=C2)Cl PI-15391 [0,1,0,1,0,0|2,0,0]=4 597 B13R2.162 C1COC2=C(C1=O)C=C(C=C2)F PI-23557 [0,1,0,1,0,0|2,0,0]=4 598 B13R2.162 CC1=CC2=C(C=C1)OCCC2=O PI-15393 [0,1,0,1,0,0|2,0,0]=4 599 B13R2.162 Clc1ccc2c(c1)C(=O)CCC2 PI-32682 [0,1,0,1,0,0|1,0,0]=3 600 B13R2.162 Fc1ccc2CCCC(=O)c2c1 PI-32681 [0,1,0,1,0,0|1,0,0]=3 601 B13R2.162 O=C1CCCC2=C1C=C(C)C=C2 PI-40562 [0,1,0,1,0,0|1,0,0]=3 602 B13R2.162 O=C1CCCC2=C1C=C(N)C=C2 PI-17771 [0,1,0,1,0,0|1,0,0]=3 603 B13R2.162 O=C1CCCC2=C1C=C(O)C=C2 PI-41086 [0,1,0,1,0,0|1,0,0]=3 604 B13R2.342 C1CC2=C(C=CC=C2Cl)C(=O)C1 PI-32667 [0,1,0,1,0,0|1,0,0]=3 605 B13R2.342 C1CC2=C(C=CC=C2F)C(=O)C1 PI-32666 [0,1,0,1,0,0|1,0,0]=3 606 B13R2.342 C1COC2=C(C1=O)C=CC=C2Br PI-32686 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.342 C1COC2=C(C1=O)C=CC=C2Cl PI-32685 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.342 C1COC2=C(C1=O)C=CC=C2F PI-32684 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.342 C1COC2=C(C1=O)C=CC=C2I PI-32687 [0,1,0,1,0,0|2,0,0]=4 610 B13R2.342 O=C1CCCc2c1cccc2Br PI-17689 [0,1,0,1,0,0|1,0,0]=3 611 B13R2.342 O=C1CCCc2c1cccc2O PI-10557 [0,1,0,1,0,0|1,0,0]=3 612 B13R2.342 O=C1NCCc2c(O)cccc12 PI-36228 [0,1,0,1,0,0|1,0,0]=3 613 B13R2.4857 C1=CC2=C(C(=C1)Cl)C(=O)OC2=O PI-10203 [0,1,0,1,0,0|1,0,1]=4 614 B13R2.4857 O=C1OC(=O)c2c1c(F)ccc2 PI-10663 [0,1,0,1,0,0|1,0,1]=4 615 B13R2.4857 O=C1OC(=O)c2cccc(C)c12 PI-17479 [0,1,0,1,0,0|1,0,1]=4 616 B13R2.4857 O=C1OC(=O)c2cccc(O)c12 PI-17470 [0,1,0,1,0,0|1,0,1]=4 617 B13R2.371 CC1CCC(=O)C2=CC=CC=C12 PI-17609 [0,1,0,1,0,0|1,0,0]=3 618 B13R2.5252 C1CC(=O)C2=CC=CC=C2NC1 PI-24047 [0,1,0,1,0,0|1,0,0]=3 619 B13R2.5252 O=C1CCCCc2c1cccc2 PI-38859 [0,1,0,1,0,0|1,0,0]=3 620 B13R2.32 C1CC2=CC=CC=C2C(=O)C1Br PI-40564 [0,1,0,1,0,0|1,0,0]=3 621 B13R2.32 CC1CCC2=CC=CC=C2C1=O PI-17355 [0,1,0,1,0,0|1,0,0]=3 622 B13R2.3085 O=C1c2ccccc2N(C1=O)C PI-30280 [0,1,0,1,0,0|2,0,0]=4 623 B13R2.12159 B1(C2=CC=CC=C2C(O1)(C)C)O PI-49003 [0,1,0,1,0,0|1,0,1]=4 624 B13R2.12159 C1=CC=C2C(=C1)C(OS2(=O)=O)Cl PI-19371 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.12159 O=C1OS(=O)(=O)c2c1cccc2 PI-18005 [0,1,0,1,0,0|2,0,0]=4 626 B13R2.18 C1COC(O1)C2=CC=CC=C2Br PI-27511 [0,1,0,1,0,0|0,0,2]=4 627 B13R2.4818 C1CC2=C(C(=O)C1)C(=CC=C2)I PI-32673 [0,1,0,1,0,0|1,0,0]=3 628 B13R2.4818 O=C1CCCC2=C1C(C)=CC=C2 PI-42695 [0,1,0,1,0,0|1,0,0]=3 629 B13R2.4818 O=C1CCCC2=C1C(F)=CC=C2 PI-32670 [0,1,0,1,0,0|1,0,0]=3 630 B13R2.4818 O=C1CCCc2c1c(Cl)ccc2 PI-32671 [0,1,0,1,0,0|1,0,0]=3 631 B13R2.4818 O=C1CCCc2cccc(Br)c12 PI-32672 [0,1,0,1,0,0|1,0,0]=3 632 B13R2.4818 O=C1CCOC2=C1C(F)=CC=C2 PI-32690 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.11 C1=CSC(=C1)C(=O)CCl PI-29443 [1,0,0,0,1,0|2,0,0]=4 634 B9R1.11 C1=CSC=C1C(=O)CBr PI-29147 [1,0,0,0,1,0|2,0,0]=4 635 B9R1.11 CCC(=O)C1=CC=CS1 PI-32561 [1,0,0,0,1,0|1,0,0]=3 636 B9R1.11 CCC(=O)C1=NC=CS1 PI-48498 [1,0,0,0,1,0|2,0,0]=4 637 B9R1.11 CCC(=O)c1ccco1 PI-17052 [1,0,0,0,1,0|1,0,0]=3 638 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [1,0,0,0,1,0|1,0,0]=3 639 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [1,0,0,0,1,0|2,0,0]=4 640 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [1,0,0,0,1,0|2,0,0]=4 641 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [1,0,0,0,1,0|2,0,0]=4 642 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [1,0,0,0,1,0|1,0,0]=3 643 B9R1.11 COC(=O)c1cccs1 PI-30692 [1,0,0,0,1,0|1,0,0]=3 644 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [1,0,0,0,1,0|1,0,0]=3 645 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [1,0,0,0,1,0|1,0,0]=3 646 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [0,0,0,0,0,2|1,0,0]=3 647 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [0,0,0,0,0,2|0,0,0]=2 648 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [0,0,0,0,0,2|0,0,0]=2 649 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [0,0,0,0,0,2|0,0,0]=2 650 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [0,0,0,0,0,2|0,0,0]=2 651 B13R1.42 NCCC(=O)OCc1ccccc1 PI-18422 [0,0,0,0,0,2|2,0,0]=4