0 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,0,0,0,0,0|1,0,3]=4 4 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 C1=CC=C(C=C1)C(C#N)O PI-38881 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42549 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 C1=CC=C(C=C1)C(CCl)O PI-42550 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [0,0,0,0,0,0|0,0,0]=0 15 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.15 CCC(O)c1ccccc1 PI-31770 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.15 CCN(C)C1=CC=CC=C1 PI-35465 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.15 CC[C@@H](C1=CC=CC=C1)O PI-49816 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.15 CC[C@H](C1=CC=CC=C1)O PI-49815 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [0,0,0,0,0,0|0,0,0]=0 26 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,0,0,0,0,0|1,0,1]=2 27 B10R1.15 NCC(O)c1ccccc1 PI-17268 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.6 CC(=O)c1cccnc1 PI-32250 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.6 CC(=O)c1ccncc1 PI-38297 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.6 CC(C)c1ccncc1 PI-16693 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,0,0,0,0,0|0,0,0]=1 49 B9R1.6 CC(C1=CN=CN=C1)N PI-43048 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 CC(c1ccccn1)N PI-38576 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.6 CC(c1ccncc1)N PI-38572 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.6 CN(C)c1ccncc1 PI-16263 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,0,0,0,0,0|0,0,0]=1 60 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,0,0,0,0,0|0,0,0]=1 63 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,0,0,0,0,0|0,1,0]=2 65 B9R1.6 FC(c1ccccn1)F PI-35198 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,0,0,0,0,0|1,0,1]=3 69 B9R1.6 NC(=N)c1ccccn1 PI-30669 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.6 NC(=O)c1cccnc1 PI-12870 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.6 OB(O)c1ccccc1 PI-16480 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.8 BrC#Cc1ccccc1 PI-38808 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.8 C1=CC(=CN=C1)CCO PI-20772 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 C1=CC=C(C=C1)C=CBr PI-12915 [1,0,0,0,0,0|1,0,2]=4 76 B9R1.8 C1=CC=C(C=C1)CCS PI-48520 [1,0,0,0,0,0|1,0,0]=2 77 B9R1.8 C1=CC=C(C=C1)CNN PI-12194 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.8 C1=CC=C(C=C1)CNN PI-12195 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.8 C1=CC=C(C=C1)CON PI-48767 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.8 C1=CC=NC(=C1)CCN PI-33890 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.8 C1=CC=[N+](C=C1)CC#N PI-30212 [1,0,0,0,0,0|1,0,2]=4 82 B9R1.8 C1=CN=C(C=N1)CCS PI-48496 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.8 C=CCC1=CC=CC=C1 PI-36465 [1,0,0,0,0,0|1,0,1]=3 84 B9R1.8 CC#CC1=CC=CC=C1 PI-48954 [1,0,0,0,0,0|1,0,2]=4 85 B9R1.8 CCCC1=CC=CC=N1 PI-13326 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.8 CCCC1=CC=NC=C1 PI-28052 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.8 CCC[N+]1=CC=CC=C1 PI-13348 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.8 CCOC1=CC=CC=N1 PI-16377 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.8 CCOC1=CC=NC=C1 PI-16378 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.8 CNCC1=CC=CN=C1 PI-46624 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.8 COCC1=CC=CC=C1 PI-19695 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.8 COCc1ccccn1 PI-38670 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.8 C\C=C\C1=CC=CC=C1 PI-42685 [1,0,0,0,0,0|1,0,2]=4 94 B9R1.8 C\C=C\C1=CC=CC=C1 PI-46536 [1,0,0,0,0,0|1,0,2]=4 95 B9R1.8 N#CCc1ccccn1 PI-16690 [1,0,0,0,0,0|1,0,2]=4 96 B9R1.8 N#CCc1cccnc1 PI-32834 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.8 N#CCc1ccncc1 PI-10376 [1,0,0,0,0,0|1,0,2]=4 98 B9R1.8 NCCc1cccnc1 PI-23439 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.8 NCCc1ccncc1 PI-15907 [1,0,0,0,0,0|1,0,0]=2 100 B9R1.8 NOCc1ccccc1 PI-11329 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.8 OCCC1=CC=NC=C1 PI-27680 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.8 ONCC1=CC=CC=C1 PI-42266 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.7 C#CC(c1ccccc1)(O)C PI-39335 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.7 C1=CC=C(C=C1)C(CBr)(F)F PI-19048 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.7 C1=CC=C(C=C1)S(=O)(=O)CF PI-46454 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.7 CCC(C)(C)C1=CC=CC=C1 PI-12312 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.7 CCS(=O)(=O)C1=CC=CC=C1 PI-29736 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.7 C[Si](C)(C=C)C1=CC=CC=C1 PI-46042 [0,1,0,0,0,0|1,1,1]=4 109 B11R1.7 C[Si](C)(CCl)C1=CC=CC=C1 PI-45032 [0,1,0,0,0,0|1,1,0]=3 110 B11R1.12 CCB(CC)C1=CC=CN=C1 PI-42544 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.12 CCC(C#N)C1=CC=CC=C1 PI-11343 [0,1,0,0,0,0|0,0,2]=3 112 B11R1.12 CCN(CC)C1=CC=CC=C1 PI-49995 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30207 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-30952 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.16 C1=CC=C(C=C1)C(CCO)N PI-45013 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.16 C1=CN=CC=C1[C@H](CCO)O PI-50215 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.16 ClCC[C@@H](c1ccccc1)O PI-12073 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.16 ClCC[C@H](c1ccccc1)O PI-12074 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [0,1,0,0,0,0|1,0,2]=4 126 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.16 OCCN(c1ccccn1)C PI-28090 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [0,1,0,0,0,0|1,0,1]=3 134 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.22 C1=CC(=CC=C1C(C#N)N)F PI-15928 [0,1,0,0,0,0|1,0,2]=4 146 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [0,1,0,0,0,0|1,0,1]=3 149 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.23 BrCC(=O)c1cccc(Br)c1 PI-22228 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.23 C1=CC(=CC(=C1)Br)C(=O)NN PI-20531 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.23 C1=CC(=CC(=C1)Br)C(CN)O PI-36568 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)NN PI-23137 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.23 C1=CC(=CC(=C1)F)C(=O)CBr PI-31564 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.23 C1=CC(=CC(=C1)F)C(=O)NN PI-23455 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.23 C1=CC(=CC(=C1)I)C(=O)NN PI-50336 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.23 C1=CC(=CC(=C1)N)C(=O)NN PI-30136 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.23 C1=CC(=CC(=C1)O)C(CN)O PI-41192 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PI-24087 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.23 CCC(=O)C1=CC(=CC=C1)F PI-28550 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.23 CCN(C1=CC=CC(=C1)C)N PI-30000 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.23 FC1=CC([C@H](N)CO)=CC=C1 PI-46646 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.36 C1=CC=C(C=C1)C(=O)C(Cl)Cl PI-25399 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)Br PI-12709 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)N PI-18442 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O PI-33913 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.36 CC(C(=O)C1=CC=CC=C1)Cl PI-12863 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.36 CC(C(=O)O)c1ccccc1 PI-11879 [0,1,0,0,0,0|1,0,1]=3 177 B11R1.36 CC(C1=CC=CC=C1)C(=O)O PI-10358 [0,1,0,0,0,0|1,0,1]=3 178 B11R1.36 CN(C1=CC=CC=C1)C(=S)Cl PI-24196 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.36 C[C@@H](c1ccccc1)C(=O)O PI-10357 [0,1,0,0,0,0|1,0,1]=3 180 B11R1.36 FC(C(=O)O)c1ccccc1 PI-30175 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.36 N[C@@H](c1ccccc1)C(=O)N PI-37984 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.36 O[C@@H](C(=O)O)c1ccccc1 PI-10352 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.36 O[C@@H](c1ccccc1)C(=O)O PI-10351 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br PI-50495 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)N PI-30252 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,1,0,0,0,0|2,0,1]=4 197 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [0,0,0,1,0,0|1,0,2]=4 198 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,0,0,1,0,0|2,0,1]=4 199 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,0,0,1,0,0|2,0,1]=4 200 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,0,0,1,0,0|2,0,1]=4 201 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [0,0,0,1,0,0|2,0,0]=3 202 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,0,0,1,0,0|1,0,2]=4 203 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [0,0,0,1,0,0|2,0,1]=4 204 B11R2.1 CN1C=NC2=CC=CC=C21 PI-11703 [0,0,0,1,0,0|1,0,2]=4 205 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,0,0,1,0,0|0,0,2]=3 206 B11R2.1 Cn1ccc2ccccc12 PI-11080 [0,0,0,1,0,0|2,0,1]=4 207 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [0,0,0,1,0,0|2,0,0]=3 208 B11R2.1 NC1CCc2ccccc12 PI-24340 [0,0,0,1,0,0|2,0,0]=3 209 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [0,0,0,1,0,0|2,0,0]=3 210 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,0,0,1,0,0|2,0,1]=4 211 B11R2.4 N[C@H]1C[C@@H]1c2ccccc2 PI-25120 [0,0,0,1,0,0|0,0,0]=1 212 B11R2.40 CC1(CO1)C2=CC=CC=C2 PI-47223 [0,0,0,1,0,0|1,0,0]=2 213 B11R2.239 C1C(CO1)C2=CC=CC=C2 PI-36427 [0,0,0,1,0,0|1,0,0]=2 214 B11R2.988 OCC1C2=CC=CC=C2C1 PI-40936 [0,0,0,1,0,0|1,0,0]=2 215 B9R1.11 CC(C1=CC=CO1)NO PI-19088 [0,0,0,0,1,0|3,0,0]=4 216 B9R1.11 NCC(c1ccco1)O PI-15941 [0,0,0,0,1,0|2,0,0]=3 217 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,0,0,0,0,1|2,0,1]=4 218 B11R1.40 C1=CC=C(C=C1)CC(CN)N PI-19951 [0,0,0,0,0,1|1,0,0]=2 219 B11R1.40 C1=CC=C(C=C1)NC(=S)NN PI-29671 [0,0,0,0,0,1|2,0,1]=4 220 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,0,0,0,0,1|2,0,1]=4 221 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,0,0,0,0,1|2,0,1]=4 222 B11R1.40 OC[C@@H](Cc1ccccc1)N PI-16474 [0,0,0,0,0,1|2,0,0]=3 223 B11R1.40 OC[C@H](Cc1ccccc1)N PI-16635 [0,0,0,0,0,1|2,0,0]=3 224 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,0]=3 225 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|0,0,2]=4 226 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.2 C1=CN=CC=C1CCl PI-31734 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.2 C1=CN=CC=C1CO PI-16744 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.2 CCC1=CC=CC=N1 PI-49466 [2,0,0,0,0,0|1,0,0]=3 234 B8R1.2 CCC1=NC=CN=C1 PI-11040 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [2,0,0,0,0,0|1,0,0]=3 236 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [2,0,0,0,0,0|1,0,0]=3 237 B8R1.2 CNC1=CC=CC=N1 PI-11864 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.2 CNC1=CC=NC=C1 PI-23603 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.2 CNC1=CN=CC=C1 PI-11328 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 COC1=CC=CC=N1 PI-33887 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.2 COC1=CC=NC=C1 PI-10034 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.2 COC1=CN=CC=C1 PI-33889 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 CSC1=CC=CC=N1 PI-16757 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.2 ClCc1ccccn1 PI-16716 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|0,0,0]=2 247 B8R1.2 NCC1=CC=NC=C1 PI-41875 [2,0,0,0,0,0|1,0,0]=3 248 B8R1.2 NCc1ccccn1 PI-33905 [2,0,0,0,0,0|1,0,0]=3 249 B8R1.2 NCc1cccnc1 PI-15236 [2,0,0,0,0,0|1,0,0]=3 250 B8R1.2 NCc1ccncc1 PI-31790 [2,0,0,0,0,0|1,0,0]=3 251 B8R1.2 NCc1ncccn1 PI-34855 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.2 NCc1ncccn1 PI-34856 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|1,0,0]=3 254 B8R1.2 OCC1=CC=CN=C1 PI-11019 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.2 OCC1=NC=CC=C1 PI-16261 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.2 OCc1ccncc1 PI-16686 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|0,0,2]=4 259 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [1,1,0,0,0,0|0,0,0]=2 274 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [1,1,0,0,0,0|0,0,0]=2 276 B10R1.13 CC(C)C1=NNC(=O)C=C1 PI-48300 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,1,0,0,0,0|0,0,0]=2 278 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,1,0,0,0,0|0,0,0]=2 280 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.13 CN(C)C1=NC=C(Br)C=C1 PI-46676 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.13 CN(C)C1=NC=C(C=C1)N PI-33882 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,1,0,0,0,0|0,0,0]=2 297 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,1,0,0,0,0|0,0,0]=2 299 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,1,0,0,0,0|0,0,0]=2 303 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.13 Nc1ccc(nc1)N(C)C PI-36330 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.28 CC(C)(C)c1ccncc1 PI-38985 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.28 CC(O)(C1=CC=CC=C1)C PI-37326 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.28 CC(c1ccccc1)(Cl)C PI-21943 [1,1,0,0,0,0|0,0,0]=2 320 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 PI-30419 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.28 C[N+](c1ccccc1)(C)C PI-39595 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.28 C[Si](C)(C)C1=CC=CC=N1 PI-35345 [1,1,0,0,0,0|1,1,0]=4 325 B10R1.28 C[Si](C)(C1=CC=CC=C1)Cl PI-46048 [1,1,0,0,0,0|0,1,0]=3 326 B10R1.28 C[Si](C)(C1=CC=CC=C1)F PI-23923 [1,1,0,0,0,0|0,1,0]=3 327 B10R1.28 FC(F)(F)c1ccccc1 PI-34216 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.61 C1=CC=C(C(=C1)C(Cl)Cl)F PI-19438 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.61 CC(=O)c1ccccc1I PI-29345 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.61 CC(=O)c1ccccc1N PI-11796 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.61 CC(C)c1ccccc1S PI-17353 [1,1,0,0,0,0|0,0,0]=2 340 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.61 CC(c1ccccc1Br)C PI-21543 [1,1,0,0,0,0|0,0,0]=2 344 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.61 FC(F)c1ccccc1Br PI-21634 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [1,1,0,0,0,0|0,0,0]=2 354 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F PI-21635 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.113 C1=CC(=CC(=C1)Cl)C(Cl)Cl PI-19154 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.113 C1=CC(=CC(=C1)F)C(Cl)Cl PI-19546 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.113 CC(C)C1=NC(=CC=C1)Cl PI-31678 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [1,1,0,0,0,0|0,0,0]=2 366 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [1,1,0,0,0,0|0,0,0]=2 367 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [1,1,0,0,0,0|0,0,0]=2 375 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [1,1,0,0,0,0|0,0,0]=2 376 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.1 BrCCc1ccc(Br)cc1 PI-19204 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.1 BrCCc1ccc(C)cc1 PI-21425 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.1 BrCCc1ccc(Cl)cc1 PI-21415 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.1 BrCCc1ccc(F)cc1 PI-21419 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.1 BrCCc1ccc(cc1)O PI-19128 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.1 C1=CC(=CC=C1CC#N)Br PI-14499 [1,1,0,0,0,0|0,0,2]=4 391 B10R1.1 C1=CC(=CC=C1CC#N)F PI-16868 [1,1,0,0,0,0|0,0,2]=4 392 B10R1.1 C1=CC(=CC=C1CC#N)N PI-30515 [1,1,0,0,0,0|0,0,2]=4 393 B10R1.1 C1=CC(=CC=C1CCCl)F PI-20050 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.1 C1=CC(=CC=C1CCN)F PI-33070 [1,1,0,0,0,0|0,0,0]=2 395 B10R1.1 C1=CC(=CC=C1CCO)Br PI-44966 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.1 C1=CC(=CC=C1CCO)N PI-10092 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.1 C1=CC(=CC=C1CCO)O PI-29634 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.1 CC1=CC=C(C=C1)SCCl PI-19470 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.1 CCCC1=CC=C(C=C1)Br PI-16232 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.1 CCCC1=CC=C(C=C1)I PI-19089 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.1 CCCC1=CC=C(C=C1)O PI-16209 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.1 CCOC1=CC=C(C=C1)Br PI-34197 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.1 CCOC1=CC=C(C=C1)I PI-12223 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.1 CCOc1ccc(cc1)O PI-27806 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.1 CNCC1=CC=C(C=C1)N PI-30552 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.1 FC1=CC=C(OCC)C=C1 PI-22032 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.1 N#CCC1=CC=C(O)C=C1 PI-11988 [1,1,0,0,0,0|0,0,2]=4 409 B10R1.1 N#CCc1ccc(cc1)C PI-12004 [1,1,0,0,0,0|0,0,2]=4 410 B10R1.1 NCCC1=CC=C(Br)C=C1 PI-15694 [1,1,0,0,0,0|0,0,0]=2 411 B10R1.1 NCCc1ccc(Br)cc1 PI-22229 [1,1,0,0,0,0|0,0,0]=2 412 B10R1.1 NCCc1ccc(O)cc1 PI-16006 [1,1,0,0,0,0|0,0,0]=2 413 B10R1.1 NCCc1ccc(O)cc1 PI-16007 [1,1,0,0,0,0|0,0,0]=2 414 B10R1.1 NCCc1ccc(cc1)N PI-10153 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.1 OCCc1ccc(F)cc1 PI-28804 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)Cl PI-23615 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.4 BrCCc1ccccc1C PI-21423 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.4 BrCCc1ccccc1Cl PI-21413 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.4 BrCCc1ccccc1F PI-34239 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.4 C1=CC=C(C(=C1)CC#N)Br PI-22282 [1,1,0,0,0,0|0,0,2]=4 422 B10R1.4 C1=CC=C(C(=C1)CC#N)F PI-16866 [1,1,0,0,0,0|0,0,2]=4 423 B10R1.4 C1=CC=C(C(=C1)CCO)F PI-23810 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.4 CCNC1=CC=CC=C1F PI-22091 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.4 CCOC1=CC=CC=C1F PI-23815 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.4 CCOC1=CC=CC=C1N PI-30971 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.4 N#CCc1ccccc1Cl PI-11829 [1,1,0,0,0,0|0,0,2]=4 430 B10R1.4 N#CCc1ccccc1N PI-16130 [1,1,0,0,0,0|0,0,2]=4 431 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|0,0,0]=2 432 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|0,0,0]=2 433 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|0,0,0]=2 434 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.4 [C-]#[N+]Cc1ccccc1Cl PI-23174 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [1,1,0,0,0,0|0,0,0]=2 439 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [1,1,0,0,0,0|0,0,0]=2 441 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.10 CCCC1=CC(=NC=C1)N PI-19769 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.10 CCOc1cccc(c1)Br PI-38261 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [1,1,0,0,0,0|0,0,2]=4 447 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [1,1,0,0,0,0|0,0,2]=4 448 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [1,1,0,0,0,0|0,0,2]=4 449 B10R1.10 NCCc1cccc(c1)F PI-33071 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.17 C1=CC(=CN=C1)CCCO PI-33814 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.17 C1=CC=C(C=C1)C#CCO PI-48957 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.17 C1=CC=C(C=C1)CN=C=S PI-28698 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.17 C1=CC=C(C=C1)COCCl PI-28438 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.17 C1=CC=C(C=C1)OCCBr PI-31495 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.17 C1=CC=C(C=C1)OCCCl PI-12172 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.17 C1=CC=C(C=C1)OCCN PI-12173 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.17 C1=CC=C(C=C1)\C=C\CBr PI-46926 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.17 CCCCC1=CC=CC=N1 PI-13327 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13343 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-13349 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45700 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.17 CCCC[N+]1=CC=CC=C1 PI-45703 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.17 CCCSC1=CC=CC=C1 PI-19961 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.17 CNCCC1=CC=CC=N1 PI-13780 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.17 CNCCC1=CC=CC=N1 PI-13781 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.17 CNCCc1ccncc1 PI-12002 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.17 ClCCCc1ccccc1 PI-33374 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.17 ClCSCc1ccccc1 PI-19537 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.17 N#CSCc1ccccc1 PI-32979 [1,1,0,0,0,0|0,0,2]=4 473 B10R1.17 NCCCc1ccccc1 PI-11351 [1,1,0,0,0,0|0,0,0]=2 474 B10R1.17 OCCCc1ccccn1 PI-33813 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.17 OCCCc1ccncc1 PI-31736 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.17 [NH-]=[N+]=NCc1ccccc1 PI-14174 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.18 B(CC1=CC=CC=C1)(O)O PI-49945 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.18 C1=CC=C(C=C1)N=C(N)N PI-11304 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.18 C1=CC=[N+](C=C1)CC(=O)N PI-15939 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.18 CC(C)NC1=CC=CC=C1 PI-11279 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.18 CC(Cc1ccccn1)C PI-13337 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.18 NC(=Nc1ccccc1)N PI-20950 [1,1,0,0,0,0|1,0,1]=4 484 B12R1.32 CN(CC#C)CC1=CC=CC=C1 PI-28358 [0,1,0,0,0,1|2,0,0]=4 485 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [0,1,0,0,0,1|2,0,0]=4 486 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-41047 [0,1,0,0,0,1|1,0,1]=4 487 B12R1.43 C1=CC=C(C=C1)CC(C(=O)N)N PI-42203 [0,1,0,0,0,1|1,0,1]=4 488 B12R1.43 CC(Oc1ccccc1)C(=O)O PI-32598 [0,1,0,0,0,1|1,0,1]=4 489 B12R1.118 OCC(CO)Cc1ccccc1 PI-24129 [0,1,0,0,0,1|1,0,0]=3 490 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O PI-42642 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.253 C1=CC=C(C=C1)C(C(=O)N)(F)F PI-12515 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.253 CC(C)(C1=CC=CC=C1)C(=O)O PI-11339 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.253 CC(C1=CC=CC=C1)(C(=O)O)O PI-19096 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.253 CC(C1=CC=CC=C1)(C(=O)O)O PI-19536 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.12 CCN(c1ccc(cc1)N)CC PI-28891 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.13 CCN(CC)C1=CC=CC(=C1)C PI-19968 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.243 COC(c1ccccc1I)OC PI-39240 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.478 C1=CC=C(C=C1)C(CO)C(=O)O PI-10781 [0,2,0,0,0,0|1,0,1]=4 499 B12R1.16 C1=CC(=CC=C1[C@@H](CCO)N)F PI-48264 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.16 CC(C1=CC=C(C=C1)Br)N=C=O PI-26151 [0,2,0,0,0,0|1,0,1]=4 501 B12R1.16 CC(C1=CC=C(C=C1)Br)N=C=O PI-26801 [0,2,0,0,0,0|1,0,1]=4 502 B12R1.16 CNCC(C1=CC=C(C=C1)O)O PI-41193 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.16 CNCC(O)c1ccc(O)cc1 PI-13894 [0,2,0,0,0,0|1,0,0]=3 504 B12R1.16 OC1=CC=C(C(O)CNC)C=C1 PI-10494 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.17 C1=CC(=CC(=C1)Cl)[C@H](CCO)O PI-50214 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.17 CNCC(=O)C1=CC(=CC=C1)O PI-44651 [0,2,0,0,0,0|1,0,1]=4 507 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-33512 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-41191 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.17 CNC[C@@H](c1cccc(c1)O)O PI-33511 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.30 CC(C1=CC=CC=C1)NCC=C PI-29529 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.30 CN(CCC#N)C1=CC=CC=C1 PI-25978 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.30 CNCCC(C1=CC=CC=C1)Cl PI-22762 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.30 CNCCC(c1ccccc1)O PI-31193 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.107 CC(C1=CC=CC=C1)NC(=O)C PI-26590 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.107 CC(N[C@H](C1=CC=CC=C1)C)=O PI-26251 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.107 CN(C)C[C@H](C1=CC=CC=C1)O PI-50017 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.5 COC1=CC=C(C=C1)C(=O)CN PI-30558 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.20 CC(C1=CC=C(C=C1)Cl)C(=O)O PI-30984 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.20 CC(c1ccc(cc1)C)C(=O)O PI-11714 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C PI-10554 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O PI-10337 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.367 C1=CC(=C(C=C1C(CO)O)O)O PI-26530 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.367 C1=CC(=C(C=C1[C@@H](CCl)O)Cl)Cl PI-49810 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CN PI-10227 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(CCl)O PI-42326 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)[C@H](CCl)O PI-49808 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CN PI-10228 [0,2,0,0,0,0|1,0,1]=4 535 B12R1.1703 C1=CC(=C(C=C1F)F)[C@@H](CCl)O PI-49821 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.1703 ClC1=CC=C([C@H](O)CCl)C(Cl)=C1 PI-42331 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.225 CC(C(O)=O)C1=CC(Br)=CC=C1 PI-33919 [0,2,0,0,0,0|1,0,1]=4 538 B12R1.225 CC(C)C(C1=CC(=CC=C1)F)N PI-34609 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-11648 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-33405 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-44342 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-44343 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.124 CC(C1=CC=CC=C1Cl)C(=O)O PI-16403 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.564 C1=CC=C(C=C1)[C@@H](C(F)(F)F)O PI-49803 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.564 NC(c1ccccc1)C(C)(C)C PI-22696 [0,2,0,0,0,0|2,0,0]=4 546 B12R1.3441 CC(C#N)C1=C(C=CC=C1F)F PI-35880 [0,2,0,0,0,0|0,0,2]=4 547 B10R2.6 C1CC1c2ccccc2 PI-17840 [1,0,0,1,0,0|0,0,0]=2 548 B10R2.6 O1C[C@@H]1c2ccccc2 PI-10841 [1,0,0,1,0,0|1,0,0]=3 549 B10R2.6 O1C[C@H]1c2ccccc2 PI-10838 [1,0,0,1,0,0|1,0,0]=3 550 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|1,0,1]=4 551 B10R2.320 C1C(C2=CC=CC=C21)Br PI-40935 [1,0,0,1,0,0|1,0,0]=3 552 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|2,0,0]=4 553 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|0,0,2]=4 554 B10R2.7 C1CC2=C(C1)N=CC=C2 PI-12954 [1,0,0,1,0,0|2,0,0]=4 555 B10R2.7 C1CNC2=CC=CC=C21 PI-44710 [1,0,0,1,0,0|0,0,0]=2 556 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|1,0,0]=3 557 B10R2.7 c1ccc2c(c1)[nH]cn2 PI-31348 [1,0,0,1,0,0|1,0,1]=4 558 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,1,0,0|1,0,1]=4 559 B12R2.18 C1C(C(C2=CC=CC=C21)O)Br PI-14453 [0,0,0,1,0,1|2,0,0]=4 560 B12R2.18 CC1C(NC2=CC=CC=C12)C PI-44123 [0,0,0,1,0,1|1,0,0]=3 561 B12R2.18 CC1N(N)C2=C(C=CC=C2)C1 PI-36643 [0,0,0,1,0,1|1,0,0]=3 562 B12R2.18 NN1C(C)Cc2ccccc12 PI-16793 [0,0,0,1,0,1|1,0,0]=3 563 B12R2.18 N[C@@H]1[C@H](O)Cc2ccccc12 PI-10570 [0,0,0,1,0,1|1,0,0]=3 564 B12R2.18 N[C@H]1[C@@H](O)Cc2c1cccc2 PI-10847 [0,0,0,1,0,1|1,0,0]=3 565 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,1,0,1|1,0,1]=4 566 B12R2.24 C1CC2=CC=CC=C2CC1N PI-35442 [0,0,0,1,0,1|2,0,0]=4 567 B12R2.24 C1CC2=CC=CC=C2CC1O PI-18640 [0,0,0,1,0,1|2,0,0]=4 568 B12R2.24 C1CC2=CC=CC=C2C[C@@H]1N PI-48325 [0,0,0,1,0,1|2,0,0]=4 569 B12R2.24 C1CC2=CC=CC=C2C[C@H]1N PI-48324 [0,0,0,1,0,1|2,0,0]=4 570 B12R2.24 CC1CCC2=CC=CC=C2N1 PI-33332 [0,0,0,1,0,1|1,0,0]=3 571 B12R2.24 NC1CNc2ccccc2C1 PI-36230 [0,0,0,1,0,1|1,0,0]=3 572 B12R2.32 C1=CC=C2C(=C1)NC(=N2)CN PI-45223 [0,0,0,1,0,1|1,0,1]=4 573 B12R2.32 CCC1=CC2=CC=CC=C2C1 PI-29198 [0,0,0,1,0,1|1,0,1]=4 574 B12R2.32 CNC1CC2=CC=CC=C2C1 PI-42263 [0,0,0,1,0,1|2,0,0]=4 575 B12R2.32 NCc1cc2c(s1)cccc2 PI-38175 [0,0,0,1,0,1|0,0,2]=4 576 B12R2.1 C1=CC=C2C(=C1)C(=CS2)CN PI-35078 [0,1,0,1,0,0|0,0,2]=4 577 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [0,1,0,1,0,0|0,0,2]=4 578 B12R2.2 C1CC(NC1)C2=CC=NC=C2 PI-27128 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.2 C1CC(NC1)C2=CN=CC=C2 PI-27725 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.2 C1CC=C(C1)C2=CC=CC=C2 PI-49447 [0,1,0,1,0,0|1,0,1]=4 581 B12R2.2 C1CNC(C1)C2=NC=CC=C2 PI-41461 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.2 C1CNC(C1)c2ccccc2 PI-27036 [0,1,0,1,0,0|1,0,0]=3 583 B12R2.2 C1COC(O1)C2=CC=CC=C2 PI-34778 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.1081 C1CC(C2=CC=CC=C2C1)N PI-25359 [0,1,0,1,0,0|2,0,0]=4 585 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [0,1,0,1,0,0|2,0,0]=4 586 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [0,1,0,1,0,0|1,0,1]=4 587 B12R2.1081 CN1CCCc2c1cccc2 PI-37581 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.1081 CN1CCNC2=CC=CC=C21 PI-35506 [0,1,0,1,0,0|1,0,0]=3 589 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 PI-41866 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [0,1,0,1,0,0|2,0,0]=4 591 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.2028 CN1C2=CC=CC=C2C(=N1)N PI-34974 [0,1,0,1,0,0|1,0,1]=4 593 B12R2.612 C1C(C2=C(O1)C=C(C=C2)Br)N PI-48312 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 PI-41874 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.132 CC1=CNC2=C1C=C(C=C2)F PI-22695 [0,1,0,1,0,0|0,0,2]=4 596 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 PI-37113 [0,1,0,1,0,0|2,0,0]=4 597 B12R2.132 Oc1ccc2c(c1)c(C)c[nH]2 PI-36560 [0,1,0,1,0,0|0,0,2]=4 598 B12R2.92 ClC1(Cl)CC1c2ccccc2 PI-30362 [0,1,0,1,0,0|1,0,0]=3 599 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.7 CC(C)C1=NC=CN1 PI-31819 [1,0,0,0,1,0|2,0,0]=4 601 B8R1.7 CC(C)n1cncc1 PI-31687 [1,0,0,0,1,0|2,0,0]=4 602 B8R1.7 CC(C1=CC=CS1)O PI-12508 [1,0,0,0,1,0|2,0,0]=4 603 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [1,0,0,0,1,0|1,0,1]=4 604 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [1,0,0,0,1,0|1,0,0]=3 605 B8R1.7 CC(c1cc[nH]n1)C PI-34763 [1,0,0,0,1,0|2,0,0]=4 606 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [1,0,0,0,1,0|2,0,0]=4 607 B8R1.8 C1=C(NC=N1)CCN PI-44999 [1,0,0,0,1,0|2,0,0]=4 608 B8R1.8 NCCc1cccs1 PI-11168 [1,0,0,0,1,0|1,0,0]=3 609 B8R1.8 NCCc1nc[nH]c1 PI-27712 [1,0,0,0,1,0|2,0,0]=4 610 B8R1.8 NCCn1cncc1 PI-36110 [1,0,0,0,1,0|2,0,0]=4 611 B8R1.8 OCCC1=CSC=C1 PI-42380 [1,0,0,0,1,0|2,0,0]=4 612 B8R1.8 OCCc1cccs1 PI-11150 [1,0,0,0,1,0|2,0,0]=4 613 B12R1.27 C1=CC=C(C=C1)OCC(CO)O PI-33776 [0,0,0,0,0,2|2,0,0]=4 614 B12R1.27 C[C@@H](NCC1=CC=CC=C1)CO PI-36948 [0,0,0,0,0,2|1,0,0]=3 615 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,0,0,0,0,2|1,0,1]=4 616 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,0,0,0,0,2|1,0,1]=4