0 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [0,0,0,0,0,0|0,0,0]=0 1 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,0,0,0|0,0,0]=1 2 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,0,0,0|1,0,0]=2 3 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,0,0,0|1,0,0]=2 4 B12R2.92 ClC1(Cl)CC1c2ccccc2 PI-30362 [0,1,0,0,0,0|1,0,0]=2 5 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [0,0,1,0,0,0|1,0,2]=4 6 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [0,0,1,0,0,0|2,0,0]=3 7 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [0,0,1,0,0,0|2,0,0]=3 8 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [0,0,1,0,0,0|1,0,0]=2 9 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [0,0,1,0,0,0|2,0,0]=3 10 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,0,1,0,0,0|2,0,1]=4 11 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [0,0,1,0,0,0|2,0,0]=3 12 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [0,0,1,0,0,0|0,0,0]=1 13 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [0,0,1,0,0,0|2,0,0]=3 14 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,0,1,0,0,0|2,0,0]=3 15 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,0,1,0,0,0|2,0,0]=3 16 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [0,0,1,0,0,0|3,0,0]=4 17 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,0,1,0,0,0|2,0,0]=3 18 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [0,0,1,0,0,0|2,0,0]=3 19 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,0,1,0,0,0|2,0,0]=3 20 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [0,0,1,0,0,0|0,0,0]=1 21 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,0,1,0,0,0|1,0,1]=3 22 B10R1.15 NCC(O)c1ccccc1 PI-17268 [0,0,1,0,0,0|1,0,0]=2 23 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [0,0,1,0,0,0|1,0,0]=2 24 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [0,0,1,0,0,0|2,0,0]=3 25 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [0,0,1,0,0,0|2,0,0]=3 27 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [0,0,1,0,0,0|2,0,0]=3 28 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [0,0,1,0,0,0|2,0,0]=3 29 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [0,0,1,0,0,0|2,0,0]=3 30 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [0,0,1,0,0,0|1,0,2]=4 31 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [0,0,1,0,0,0|2,0,1]=4 32 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [0,0,1,0,0,0|2,0,0]=3 33 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [0,0,1,0,0,0|2,0,0]=3 34 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [0,0,1,0,0,0|2,0,0]=3 35 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [0,0,1,0,0,0|1,0,0]=2 36 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [0,0,1,0,0,0|1,0,2]=4 37 B10R1.17 C=CCOc1ccccc1 PI-36466 [0,0,1,0,0,0|2,0,1]=4 38 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [0,0,1,0,0,0|2,0,0]=3 39 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [0,0,1,0,0,0|2,0,0]=3 40 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [0,0,1,0,0,0|2,0,0]=3 41 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [0,0,1,0,0,0|2,0,0]=3 42 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [0,0,1,0,0,0|2,0,0]=3 43 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [0,0,1,0,0,0|2,0,0]=3 44 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [0,0,1,0,0,0|3,0,0]=4 45 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [0,0,1,0,0,0|3,0,0]=4 46 B10R1.17 CNCCc1ccncc1 PI-12002 [0,0,1,0,0,0|3,0,0]=4 47 B10R1.17 ClCCCc1ccccc1 PI-33374 [0,0,1,0,0,0|1,0,0]=2 48 B10R1.17 ClCSCc1ccccc1 PI-19537 [0,0,1,0,0,0|2,0,0]=3 49 B10R1.17 N#CSCc1ccccc1 PI-32979 [0,0,1,0,0,0|1,0,2]=4 50 B10R1.17 NCCCc1ccccc1 PI-11351 [0,0,1,0,0,0|0,0,0]=1 51 B10R1.17 OCCCc1ccccn1 PI-33813 [0,0,1,0,0,0|2,0,0]=3 52 B10R1.17 OCCCc1ccncc1 PI-31736 [0,0,1,0,0,0|2,0,0]=3 53 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [0,0,1,0,0,0|2,0,1]=4 54 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [0,0,1,0,0,0|3,0,0]=4 55 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [0,0,1,0,0,0|2,0,1]=4 56 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,1,0,0,0|2,0,1]=4 57 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [0,0,1,0,0,0|2,0,1]=4 58 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,0,1,0,0,0|1,0,2]=4 59 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,1,0,0,0|2,0,1]=4 60 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,0,1,0,0,0|2,0,1]=4 61 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,0,1,0,0,0|2,0,1]=4 62 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [0,0,1,0,0,0|2,0,0]=3 63 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,1,0,0,0|2,0,1]=4 64 B10R1.18 CC(Cc1ccccn1)C PI-13337 [0,0,1,0,0,0|2,0,0]=3 65 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [0,0,1,0,0,0|2,0,1]=4 66 B9R1.6 CC(C)c1ccncc1 PI-16693 [1,0,1,0,0,0|1,0,0]=3 67 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,0,1,0,0,0|0,0,0]=2 68 B9R1.6 CC(C1=CN=CN=C1)N PI-43048 [1,0,1,0,0,0|2,0,0]=4 69 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [1,0,1,0,0,0|2,0,0]=4 70 B9R1.6 CC(c1ccccn1)N PI-38576 [1,0,1,0,0,0|1,0,0]=3 71 B9R1.6 CC(c1ccncc1)N PI-38572 [1,0,1,0,0,0|1,0,0]=3 72 B9R1.6 CN(C)c1ccncc1 PI-16263 [1,0,1,0,0,0|2,0,0]=4 73 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,0,1,0,0,0|1,0,0]=3 74 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,1,0,0,0|1,0,0]=3 75 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [1,0,1,0,0,0|2,0,0]=4 76 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [1,0,1,0,0,0|1,0,0]=3 77 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [1,0,1,0,0,0|2,0,0]=4 78 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,0,1,0,0,0|0,0,0]=2 79 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [1,0,1,0,0,0|2,0,0]=4 80 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [1,0,1,0,0,0|2,0,0]=4 81 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,0,1,0,0,0|0,0,0]=2 82 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,1,0,0,0|1,0,0]=3 83 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,0,1,0,0,0|0,1,0]=3 84 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,0,1,0,0,0|1,0,1]=4 85 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,0,1,0,0,0|1,0,1]=4 86 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,0,1,0,0,0|2,0,0]=4 87 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,1,0,0,0|1,0,0]=3 88 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,1,0,0,0|1,0,0]=3 89 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,1,0,0,0|1,0,0]=3 90 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,1,0,0,0|1,0,0]=3 91 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,0,1,0,0,0|1,0,0]=3 92 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,1,0,0,0|0,0,2]=4 93 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,1,0,0,0|0,0,2]=4 94 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,0,1,0,0,0|1,0,0]=3 95 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,0,1,0,0,0|1,0,0]=3 96 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,0,1,0,0,0|1,0,0]=3 97 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,0,1,0,0,0|2,0,0]=4 98 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,0,1,0,0,0|2,0,0]=4 99 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,0,1,0,0,0|2,0,0]=4 100 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,1,0,0,0|1,0,0]=3 101 B9R1.8 COCc1ccccn1 PI-38670 [1,0,1,0,0,0|2,0,0]=4 102 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,1,0,0,0|0,0,2]=4 103 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,1,0,0,0|0,0,2]=4 104 B9R1.8 NCCc1cccnc1 PI-23439 [1,0,1,0,0,0|1,0,0]=3 105 B9R1.8 NCCc1ccncc1 PI-15907 [1,0,1,0,0,0|1,0,0]=3 106 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,1,0,0,0|1,0,0]=3 107 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,0,1,0,0,0|2,0,0]=4 108 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,1,0,0,0|2,0,0]=4 109 B11R1.7 C#CC(c1ccccc1)(O)C PI-39335 [0,1,1,0,0,0|1,0,1]=4 110 B11R1.7 C1=CC=C(C=C1)C(CBr)(F)F PI-19048 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.7 CCC(C)(C)C1=CC=CC=C1 PI-12312 [0,1,1,0,0,0|1,0,0]=3 112 B11R1.7 C[Si](C)(CCl)C1=CC=CC=C1 PI-45032 [0,1,1,0,0,0|1,1,0]=4 113 B11R1.12 CCC(C#N)C1=CC=CC=C1 PI-11343 [0,1,1,0,0,0|0,0,2]=4 114 B11R1.12 CCN(CC)C1=CC=CC=C1 PI-49995 [0,1,1,0,0,0|2,0,0]=4 115 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [0,1,1,0,0,0|2,0,0]=4 116 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [0,1,1,0,0,0|2,0,0]=4 117 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [0,1,1,0,0,0|2,0,0]=4 118 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [0,1,1,0,0,0|2,0,0]=4 119 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [0,1,1,0,0,0|2,0,0]=4 120 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [0,1,1,0,0,0|2,0,0]=4 121 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [0,1,1,0,0,0|2,0,0]=4 122 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,1,1,0,0,0|1,0,1]=4 123 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,1,1,0,0,0|1,0,1]=4 124 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,1,1,0,0,0|1,0,1]=4 125 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,1,1,0,0,0|1,0,1]=4 126 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [0,1,1,0,0,0|2,0,0]=4 127 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,1,1,0,0,0|1,0,1]=4 128 B11R1.23 C1=CC(=CC(=C1)Br)C(CN)O PI-36568 [0,1,1,0,0,0|1,0,0]=3 129 B11R1.23 C1=CC(=CC(=C1)O)C(CN)O PI-41192 [0,1,1,0,0,0|1,0,0]=3 130 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 PI-46646 [0,1,1,0,0,0|2,0,0]=4 131 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,1,1,0,0,0|1,0,1]=4 132 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,1,1,0,0,0|1,0,1]=4 133 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,1,1,0,0,0|1,0,1]=4 134 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,1,1,0,0,0|1,0,1]=4 135 B11R1.1 C1=CC(=CC=C1CCC#N)Br PI-22541 [0,1,1,0,0,0|0,0,2]=4 136 B11R1.1 C1=CC(=CC=C1CCC=O)F PI-45774 [0,1,1,0,0,0|1,0,1]=4 137 B11R1.1 C1=CC(=CC=C1CCCO)Cl PI-20215 [0,1,1,0,0,0|1,0,0]=3 138 B11R1.1 C1=CC(=CC=C1CCCO)O PI-46961 [0,1,1,0,0,0|1,0,0]=3 139 B11R1.1 C1=CC(=CC=C1N)OCCCl PI-47269 [0,1,1,0,0,0|2,0,0]=4 140 B11R1.1 C1=CC(=CC=C1OCCO)Br PI-19473 [0,1,1,0,0,0|2,0,0]=4 141 B11R1.1 C1=CC(=CC=C1OCCO)Cl PI-19256 [0,1,1,0,0,0|2,0,0]=4 142 B11R1.1 CC1=CC=C(C=C1)CCC=C PI-50176 [0,1,1,0,0,0|1,0,1]=4 143 B11R1.1 CCCCC1=CC=C(C=C1)C PI-19171 [0,1,1,0,0,0|1,0,0]=3 144 B11R1.1 CCCCC1=CC=C(C=C1)O PI-11971 [0,1,1,0,0,0|1,0,0]=3 145 B11R1.1 CCCC[N+]1=CC=C(C=C1)C PI-17144 [0,1,1,0,0,0|2,0,0]=4 146 B11R1.1 CCCCc1ccc(Br)cc1 PI-30595 [0,1,1,0,0,0|1,0,0]=3 147 B11R1.1 CCCOC1=CC=C(C=C1)Br PI-30574 [0,1,1,0,0,0|2,0,0]=4 148 B11R1.1 CCCOc1ccc(cc1)O PI-16211 [0,1,1,0,0,0|2,0,0]=4 149 B11R1.1 CNCCC1=CC=C(C=C1)O PI-43105 [0,1,1,0,0,0|2,0,0]=4 150 B11R1.1 COCCc1ccc(O)cc1 PI-12149 [0,1,1,0,0,0|2,0,0]=4 151 B11R1.1 ClCCOc1ccc(cc1)Cl PI-13022 [0,1,1,0,0,0|2,0,0]=4 152 B11R1.1 OC1=CC=C(CCC#N)C=C1 PI-11502 [0,1,1,0,0,0|0,0,2]=4 153 B11R1.1 OCCCc1ccc(cc1)Br PI-39007 [0,1,1,0,0,0|1,0,0]=3 154 B11R1.1 [C-]#[N+]CCc1ccc(Br)cc1 PI-22265 [0,1,1,0,0,0|2,0,0]=4 155 B11R1.1 [C-]#[N+]CCc1ccc(F)cc1 PI-23814 [0,1,1,0,0,0|2,0,0]=4 156 B11R1.17 OCCSc1ccccc1Br PI-22561 [0,1,1,0,0,0|2,0,0]=4 157 B11R1.17 [C-]#[N+]CCc1ccccc1F PI-23812 [0,1,1,0,0,0|2,0,0]=4 158 B11R1.24 N#CCCc1cccc(c1)Br PI-22540 [0,1,1,0,0,0|0,0,2]=4 159 B11R1.24 OCCSc1cccc(C)c1 PI-24821 [0,1,1,0,0,0|2,0,0]=4 160 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [0,1,1,0,0,0|1,0,0]=3 161 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [0,1,1,0,0,0|1,0,0]=3 162 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [0,1,1,0,0,0|1,0,0]=3 163 B11R1.28 C1=CC=C(C=C1)NCCCO PI-46938 [0,1,1,0,0,0|1,0,0]=3 164 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [0,1,1,0,0,0|1,0,0]=3 165 B11R1.28 C1=CC=NC(=C1)CNCCO PI-34035 [0,1,1,0,0,0|2,0,0]=4 166 B11R1.28 C1=CN=CC=C1CCCCCl PI-33973 [0,1,1,0,0,0|2,0,0]=4 167 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [0,1,1,0,0,0|1,0,0]=3 168 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [0,1,1,0,0,0|2,0,0]=4 169 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [0,1,1,0,0,0|2,0,0]=4 170 B11R1.28 NCCOCc1ccccc1 PI-36880 [0,1,1,0,0,0|0,0,0]=2 171 B11R1.28 OCCOCc1ccccc1 PI-24526 [0,1,1,0,0,0|1,0,0]=3 172 B11R1.28 OCCSCc1ccccc1 PI-20759 [0,1,1,0,0,0|1,0,0]=3 173 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,1,1,0,0,0|1,0,1]=4 174 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,1,1,0,0,0|0,0,0]=2 175 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,1,1,0,0,0|1,0,1]=4 176 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,1,1,0,0,0|1,0,0]=3 177 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,1,1,0,0,0|1,0,0]=3 178 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [0,1,1,0,0,0|1,0,1]=4 179 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [0,1,1,0,0,0|0,0,0]=2 180 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [0,1,1,0,0,0|1,0,0]=3 181 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [0,1,1,0,0,0|1,0,0]=3 182 B11R1.91 NC(=S)NCc1ccccc1 PI-20347 [0,1,1,0,0,0|1,0,1]=4 183 B11R1.91 OB(O)CCc1ccccc1 PI-25460 [0,1,1,0,0,0|2,0,0]=4 184 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [0,1,1,0,0,0|2,0,0]=4 185 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [0,1,1,0,0,0|1,0,1]=4 186 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [0,1,1,0,0,0|1,0,1]=4 187 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [0,1,1,0,0,0|1,0,1]=4 188 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [0,1,1,0,0,0|1,0,0]=3 189 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [0,1,1,0,0,0|2,0,0]=4 190 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [0,1,1,0,0,0|2,0,0]=4 191 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,1,1,0,0,0|1,0,1]=4 192 B11R1.86 NC1=CC=CC=C1SC(C)C PI-40822 [0,1,1,0,0,0|2,0,0]=4 193 B11R1.157 CC(=O)Cc1cccc(c1)Br PI-38558 [0,1,1,0,0,0|1,0,1]=4 194 B11R1.157 CC(C)OC1=CC(=CC=C1)Br PI-31927 [0,1,1,0,0,0|2,0,0]=4 195 B11R1.157 CC(C)OC1=CC=CC(=C1)N PI-33132 [0,1,1,0,0,0|2,0,0]=4 196 B11R1.157 CN(C)CC1=CC(=CC=C1)Br PI-47270 [0,1,1,0,0,0|2,0,0]=4 197 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PI-28365 [0,1,1,0,0,0|2,0,0]=4 198 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 PI-20351 [0,1,1,0,0,0|2,0,0]=4 199 B11R1.509 NS(=O)(=O)Cc1ccccc1 PI-30638 [0,1,1,0,0,0|2,0,0]=4 200 B11R2.34 BrC1=CC=C(C=C1)C2CC2 PI-40963 [1,1,0,0,0,0|0,0,0]=2 201 B11R2.34 Clc1ccc(cc1)[C@@H]2OC2 PI-36332 [1,1,0,0,0,0|1,0,0]=3 202 B11R2.35 C1C(O1)C2=CC(=CC=C2)Cl PI-35811 [1,1,0,0,0,0|1,0,0]=3 203 B11R2.35 Clc1cccc(c1)[C@@H]2CO2 PI-10846 [1,1,0,0,0,0|1,0,0]=3 204 B11R2.40 CC1(CO1)C2=CC=CC=C2 PI-47223 [1,1,0,0,0,0|1,0,0]=3 205 B13R2.187 C1C(C1(Cl)Cl)SC2=CC=CC=C2 PI-25759 [0,1,0,0,0,1|1,0,0]=3 206 B13R2.25 C1C(C1N=C=O)C2=CC=CC=C2 PI-26817 [0,2,0,0,0,0|0,0,1]=3 207 B13R2.423 C1C(C1C(=O)Cl)C2=CC=CC=C2 PI-17992 [0,2,0,0,0,0|1,0,0]=3 208 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 PI-17993 [0,2,0,0,0,0|1,0,0]=3 209 B13R2.522 C1C(C1N)C2=CC(=C(C=C2)F)F PI-37774 [0,2,0,0,0,0|0,0,0]=2 210 B13R2.522 C1C(C1N)C2=CC(=C(C=C2)F)F PI-45675 [0,2,0,0,0,0|0,0,0]=2 211 B13R2.522 C1C(C1N)C2=CC(=C(C=C2)F)F PI-45913 [0,2,0,0,0,0|0,0,0]=2 212 B13R2.522 N[C@@H]1C[C@H]1c2ccc(c(c2)F)F PI-38114 [0,2,0,0,0,0|0,0,0]=2 213 B13R2.522 N[C@@H]1[C@@H]([C@]2=CC=C(F)C(F)=C2)C1 PI-37765 [0,2,0,0,0,0|0,0,0]=2 214 B13R2.2988 CC1=CC=C(C=C1)C2CC2(F)F PI-19709 [0,2,0,0,0,0|1,0,0]=3 215 B13R2.3201 CC1(CC1(Cl)Cl)C2=CC=CC=C2 PI-19494 [0,2,0,0,0,0|1,0,0]=3 216 B9R0.45 CCCC\C=C\C=C\C=O PI-48531 [0,0,2,0,0,0|2,0,0]=4 217 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [0,0,1,1,0,0|2,0,0]=4 218 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,0,1,1,0,0|0,0,2]=4 219 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [0,0,1,1,0,0|2,0,0]=4 220 B11R2.1 NC1CCc2ccccc12 PI-24340 [0,0,1,1,0,0|2,0,0]=4 221 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [0,0,1,1,0,0|2,0,0]=4 222 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [0,0,1,1,0,0|1,0,0]=3 223 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [0,0,1,1,0,0|1,0,0]=3 224 B11R2.20 C1=Cc2c(CC1)cccc2 PI-25582 [0,0,1,1,0,0|1,0,1]=4 225 B11R2.20 C1CC2=C(C=CC=N2)NC1 PI-47349 [0,0,1,1,0,0|1,0,0]=3 226 B11R2.20 C1CC2=C(C=CN=C2)NC1 PI-47348 [0,0,1,1,0,0|1,0,0]=3 227 B11R2.20 C1CCc2c(C1)cncc2 PI-38323 [0,0,1,1,0,0|2,0,0]=4 228 B11R2.20 C1CCc2ccccc2N1 PI-32264 [0,0,1,1,0,0|0,0,0]=2 229 B11R2.20 C1CCc2cccnc2C1 PI-10313 [0,0,1,1,0,0|2,0,0]=4 230 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [0,0,1,1,0,0|2,0,0]=4 231 B11R2.20 C1CNCC2=CC=CC=C21 PI-17083 [0,0,1,1,0,0|2,0,0]=4 232 B11R2.20 C1CNCC2=CC=CC=C21 PI-38027 [0,0,1,1,0,0|2,0,0]=4 233 B11R2.20 C1COC2=C(N1)N=CC=C2 PI-34187 [0,0,1,1,0,0|2,0,0]=4 234 B11R2.20 C1COc2ccccc2O1 PI-31359 [0,0,1,1,0,0|2,0,0]=4 235 B11R2.238 C1CC1Sc2ccccc2 PI-25166 [0,0,1,1,0,0|2,0,0]=4 236 B11R2.10 C1C(=O)CC2=CC=CC=C21 PI-11611 [0,0,1,1,0,0|1,0,1]=4 237 B11R2.10 C1C(CC2=CC=CC=C21)O PI-11612 [0,0,1,1,0,0|1,0,0]=3 238 B11R2.10 CC1=CC2=CC=CC=C2C1 PI-30321 [0,0,1,1,0,0|1,0,1]=4 239 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [0,0,1,1,0,0|0,0,2]=4 240 B11R2.10 CC1=NC2=CC=CC=C2N1 PI-11865 [0,0,1,1,0,0|1,0,1]=4 241 B11R2.10 CC1CC2=CC=CC=C2O1 PI-17206 [0,0,1,1,0,0|1,0,0]=3 242 B11R2.10 CC1NC2=C(C=CC=C2)C1 PI-11338 [0,0,1,1,0,0|0,0,0]=2 243 B11R2.10 NC1CC2=C(C=CC=C2)C1 PI-37165 [0,0,1,1,0,0|0,0,0]=2 244 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [0,0,1,1,0,0|1,0,1]=4 245 B9R1.11 NCC(c1ccco1)O PI-15941 [0,0,1,0,1,0|2,0,0]=4 246 B9R1.12 CCCCC1=CC=CS1 PI-44597 [0,0,1,0,1,0|2,0,0]=4 247 B9R1.12 CCCCC1=CSC=C1 PI-36456 [0,0,1,0,1,0|2,0,0]=4 248 B9R1.12 NCCCn1cncc1 PI-32647 [0,0,1,0,1,0|2,0,0]=4 249 B9R1.13 CC(N)CC1=CC=CS1 PI-40008 [0,0,1,0,1,0|1,0,0]=3 250 B9R1.13 CC(N)Cc1ccco1 PI-36445 [0,0,1,0,1,0|1,0,0]=3 251 B13R2.31 C1C(CN1CC2=CC=CC=C2)O PI-33860 [0,0,0,0,0,2|2,0,0]=4 252 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 PI-46663 [0,0,0,0,0,2|1,0,1]=4 253 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [0,0,0,0,0,2|1,0,1]=4 254 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 PI-10344 [0,0,0,0,0,2|1,0,1]=4 255 B13R2.10 C1C(NC(=S)S1)C2=CC=CC=C2 PI-16639 [0,0,0,0,0,2|1,0,1]=4 256 B13R2.10 C1CN(N=C1N)C2=CC=CC=C2 PI-30482 [0,0,0,0,0,2|1,0,1]=4 257 B13R2.10 O=C1CCC(O1)c2ccccc2 PI-18042 [0,0,0,0,0,2|1,0,1]=4 258 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 PI-11224 [0,0,0,0,0,2|1,0,1]=4 259 B13R2.10 S=C1OC[C@H](N1)c2ccccc2 PI-16645 [0,0,0,0,0,2|1,0,1]=4 260 B13R2.10 S=C1SC[C@H](N1)c2ccccc2 PI-16640 [0,0,0,0,0,2|1,0,1]=4