0 B11R1.17 CCCOc1c(cccn1)I H50101 [0,0,0,0,0,0|3,1,0]=4 1 B11R1.17 CCNCc1ccccc1F H56127 [0,0,0,0,0,0|2,1,0]=3 2 B11R1.17 COCOc1cccnc1Br H52324 [0,0,0,0,0,0|3,1,0]=4 3 B11R1.17 c1ccc(c(c1)CCCO)Br H63884 [0,0,0,0,0,0|2,1,0]=3 4 B11R1.17 c1ccc(c(c1)CN=C=S)Cl L10546 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.17 c1ccc(c(c1)OCC#N)Br A19354 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.17 c1ccc(c(c1)OCC#N)Cl A11346 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.17 c1ccc(c(c1)OCCN)Cl H50704 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.17 c1ccc(c(c1)OCCN)F H50835 [0,0,0,0,0,0|3,1,0]=4 9 B11R1.17 c1ccc(c(c1)OCCO)Cl L04368 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.4 C=CCc1ccccc1O A10755 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.4 CCCc1c(nccn1)C B22013 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CCCc1ccccc1O A11088 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.4 CCNc1ccccc1C A11315 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.4 CCOc1c(cccn1)Br H27690 [1,0,0,0,0,0|2,1,0]=4 15 B10R1.4 CCOc1c(cccn1)I H50100 [1,0,0,0,0,0|2,1,0]=4 16 B10R1.4 CCOc1ccccc1O B24755 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.4 CNCc1ccccc1Br H63390 [1,0,0,0,0,0|0,1,0]=2 18 B10R1.4 CNCc1ccccc1Cl H54680 [1,0,0,0,0,0|0,0,0]=1 19 B10R1.4 CNCc1ccccc1F H54439 [1,0,0,0,0,0|0,1,0]=2 20 B10R1.4 Cc1ccccc1CC#N A14787 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.4 Cc1ccccc1CCN H28320 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.4 Cc1ccccc1CNC H63956 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.4 c1ccc(c(c1)CC#N)Br A17548 [1,0,0,0,0,0|0,1,2]=4 24 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [1,0,0,0,0,0|0,0,2]=3 25 B10R1.4 c1ccc(c(c1)CC#N)F A11612 [1,0,0,0,0,0|0,1,2]=4 26 B10R1.4 c1ccc(c(c1)CC#N)I L12767 [1,0,0,0,0,0|0,1,2]=4 27 B10R1.4 c1ccc(c(c1)CC#N)N H66243 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [1,0,0,0,0,0|0,1,0]=2 29 B10R1.4 c1ccc(c(c1)CCO)F L19998 [1,0,0,0,0,0|1,1,0]=3 30 B10R1.4 c1ccc(c(c1)N=C=O)Cl B21489 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.4 c1ccc(c(c1)N=C=S)Cl A18238 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.17 C#CCCc1ccccc1 L12946 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.17 C#CCOc1ccccc1 43923 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.17 C#CCOc1ccccc1 A18272 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.17 C=CCNc1ccccc1 H55821 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.17 C=CCOc1ccccc1 L03359 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.17 C=CCSc1ccccc1 L04771 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.17 CCC#Cc1ccccc1 A11332 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.17 CCCC[n+]1ccccc1 19740 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 CCCC[n+]1ccccc1 H26995 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.17 CCCCc1ccccc1 A10910 [1,0,0,0,0,0|1,0,0]=2 43 B10R1.17 CCNCc1ccccc1 L05651 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.17 CCNCc1cccnc1 H51120 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.17 CCNCc1ccncc1 L13714 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.17 CNCCc1ccccn1 H50190 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.17 c1ccc(cc1)CCC#N L06483 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.17 c1ccc(cc1)CCC=O A10367 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.17 c1ccc(cc1)CCCBr A14050 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.17 c1ccc(cc1)CCCCl B20445 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.17 c1ccc(cc1)CCCI H53420 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 c1ccc(cc1)CCCN L03023 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.17 c1ccc(cc1)CCCO A13022 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.17 c1ccc(cc1)CN=C=O L02633 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 c1ccc(cc1)CN=C=S A15008 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] 32635 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.17 c1ccc(cc1)CNC=O B23722 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.17 c1ccc(cc1)COC=O L13405 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.17 c1ccc(cc1)COCCl H60207 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.17 c1ccc(cc1)CSC#N B23902 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.17 c1ccc(cc1)NCCN L03786 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.17 c1ccc(cc1)NCCO B22131 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.17 c1ccc(cc1)OCC#N A11981 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 c1ccc(cc1)OCCBr B21087 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.17 c1ccc(cc1)OCCCl L11345 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.17 c1ccc(cc1)OCCN A12225 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.17 c1ccc(cc1)OCCO A10786 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 c1ccc(cc1)SCC#N A12869 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.17 c1ccc(cc1)SCCBr L11005 [1,0,0,0,0,0|3,0,0]=4 71 B10R1.17 c1ccc(cc1)SCCCl B23265 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.17 c1ccc(cc1)SCCO A10861 [1,0,0,0,0,0|3,0,0]=4 73 B12R1.69 CCCOc1ccc(cc1F)Br H31660 [0,1,0,0,0,0|2,1,0]=4 74 B12R1.69 c1cc(c(cc1Cl)Cl)OCC#N L10869 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.69 c1cc(c(cc1Cl)Cl)OCCBr H52367 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.121 CCCOc1ccccc1C=O H50473 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.125 CC(=O)NCc1ccccc1Br H50599 [0,1,0,0,0,0|2,1,0]=4 78 B12R1.125 CC(C)NCc1ccccc1F H56639 [0,1,0,0,0,0|2,1,0]=4 79 B12R1.125 Cc1ccccc1CCC(=O)O H34375 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br H33933 [0,1,0,0,0,0|2,1,0]=4 81 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl L15306 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.125 c1ccc(c(c1)CCC(=O)O)F H34110 [0,1,0,0,0,0|2,1,0]=4 83 B12R1.125 c1ccc(c(c1)CCC(=O)O)O A14195 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl B25223 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl L00926 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.267 CCCNCc1ccccc1F H56513 [0,1,0,0,0,0|1,1,0]=3 87 B12R1.267 c1ccc(c(c1)CSCCN)Cl H33983 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.308 CCNC(=O)c1ccccc1Cl H59064 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.308 CCOC(=O)c1ccccc1Cl A10141 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Cl A13611 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.371 Cc1ccccc1CC(=O)OC L09877 [0,1,0,0,0,0|2,0,1]=4 92 B12R1.371 c1ccc(c(c1)NC(=S)NN)Cl L12249 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.374 COCOc1cc(ccc1F)F H32630 [0,1,0,0,0,0|2,1,0]=4 94 B12R1.1631 C#CCOc1c(cccc1Cl)Cl L12678 [0,1,0,0,0,0|2,0,1]=4 95 B10R0.71 CCCCC\C=C\C=C\C=O L06103 [0,0,1,0,0,0|2,0,1]=4 96 B12R2.24 CC1CNc2ccccc2O1 H61002 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.24 CC1CNc2ccccc2S1 H61005 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [0,0,0,1,0,0|3,0,0]=4 101 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [0,0,0,1,0,0|3,0,0]=4 102 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [0,0,0,1,0,0|2,0,1]=4 103 B12R2.32 c1ccc2c(c1)CC(C2)CN H66610 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO H27711 [0,0,0,1,0,0|3,0,0]=4 105 B12R2.41 c1ccc2c(c1)CNCCN2 H27843 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.41 c1ccc2c(c1)OCCCO2 H27374 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.196 Cn1ccc2c1cccc2Br H66535 [0,0,0,1,0,0|0,1,2]=4 108 B12R2.196 c1cc2c(c(c1)Br)CCC2=O H56937 [0,0,0,1,0,0|2,1,0]=4 109 B12R2.196 c1cc2c(c(c1)F)CCC2=O H59356 [0,0,0,1,0,0|2,1,0]=4 110 B12R2.196 c1cc2c(c(c1)O)CCC2=O H56184 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.1081 c1cc2c(c(c1)O)CCCC2 L02416 [0,0,0,1,0,0|2,0,0]=3 112 B9R1.8 C#CCc1ccccc1 H53500 [2,0,0,0,0,0|0,0,2]=4 113 B9R1.8 C=CCc1ccccc1 A12965 [2,0,0,0,0,0|0,0,2]=4 114 B9R1.8 CC#Cc1ccccc1 A14272 [2,0,0,0,0,0|0,0,2]=4 115 B9R1.8 CCCc1ccccc1 B21468 [2,0,0,0,0,0|0,0,0]=2 116 B9R1.8 CCNc1ccccc1 A15060 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.8 CCOc1ccccc1 A15501 [2,0,0,0,0,0|1,0,0]=3 118 B9R1.8 CCOc1ccccn1 L05649 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.8 CCSc1ccccc1 A13987 [2,0,0,0,0,0|1,0,0]=3 120 B9R1.8 CNCc1ccccc1 A13746 [2,0,0,0,0,0|0,0,0]=2 121 B9R1.8 CNCc1cccnc1 H50262 [2,0,0,0,0,0|1,0,0]=3 122 B9R1.8 COCc1ccccc1 B23490 [2,0,0,0,0,0|1,0,0]=3 123 B9R1.8 C\N=C\c1ccccc1 B25161 [2,0,0,0,0,0|0,0,2]=4 124 B9R1.8 c1cc(cnc1)CCN L16311 [2,0,0,0,0,0|1,0,0]=3 125 B9R1.8 c1ccc(cc1)CC#N A10694 [2,0,0,0,0,0|0,0,2]=4 126 B9R1.8 c1ccc(cc1)CC=O A14263 [2,0,0,0,0,0|1,0,1]=4 127 B9R1.8 c1ccc(cc1)CCBr A12528 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.8 c1ccc(cc1)CCCl L04891 [2,0,0,0,0,0|1,0,0]=3 129 B9R1.8 c1ccc(cc1)CCN A13402 [2,0,0,0,0,0|0,0,0]=2 130 B9R1.8 c1ccc(cc1)CCO A15241 [2,0,0,0,0,0|1,0,0]=3 131 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [2,0,0,0,0,0|1,0,0]=3 132 B9R1.8 c1ccc(cc1)CNN H54916 [2,0,0,0,0,0|1,0,0]=3 133 B9R1.8 c1ccc(cc1)CON A17393 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.8 c1ccc(cc1)CON L13601 [2,0,0,0,0,0|1,0,0]=3 135 B9R1.8 c1ccnc(c1)CCN L05627 [2,0,0,0,0,0|1,0,0]=3 136 B9R1.8 c1ccnc(c1)CCO B23579 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.8 c1cnccc1CCN H27545 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.8 c1cnccc1CCO L13780 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.15 C#Cc1ccccc1Cl H53441 [2,0,0,0,0,0|0,0,2]=4 140 B9R1.15 C=Cc1ccccc1Cl B21551 [2,0,0,0,0,0|0,0,2]=4 141 B9R1.15 CCc1ccccc1Br B23449 [2,0,0,0,0,0|0,1,0]=3 142 B9R1.15 CCc1ccccc1C L02028 [2,0,0,0,0,0|1,0,0]=3 143 B9R1.15 CCc1ccccc1I A14509 [2,0,0,0,0,0|0,1,0]=3 144 B9R1.15 CCc1ccccc1N A14984 [2,0,0,0,0,0|1,0,0]=3 145 B9R1.15 CCc1ccccc1O L01637 [2,0,0,0,0,0|1,0,0]=3 146 B9R1.15 CCc1ccccc1S L11498 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.15 CCc1ccccc1[Zn+] H58221 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.15 CCc1cnccc1C B21406 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.15 CNc1ccccc1Br H55166 [2,0,0,0,0,0|0,1,0]=3 150 B9R1.15 CNc1ccccc1Cl A14343 [2,0,0,0,0,0|0,0,0]=2 151 B9R1.15 COc1c(cccn1)Cl H27526 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.15 COc1ccccc1Br A11692 [2,0,0,0,0,0|1,1,0]=4 153 B9R1.15 COc1ccccc1Cl L06952 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.15 COc1ccccc1F A12380 [2,0,0,0,0,0|1,1,0]=4 155 B9R1.15 COc1ccccc1I A10150 [2,0,0,0,0,0|1,1,0]=4 156 B9R1.15 COc1ccccc1N A10288 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.15 COc1ccccc1O A16319 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.15 COc1ccccc1S L09689 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.15 COc1ccccc1[Mg+] H54579 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.15 COc1ccccc1[Zn+] H58341 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.15 COc1cccnc1Cl L17696 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.15 COc1ccncc1Cl H64298 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.15 CSc1ccccc1Br A13632 [2,0,0,0,0,0|1,1,0]=4 164 B9R1.15 CSc1ccccc1I A14051 [2,0,0,0,0,0|1,1,0]=4 165 B9R1.15 CSc1ccccc1N A12762 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.15 CSc1ccccc1O L10128 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.15 Cc1ccccc1CBr B21717 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.15 Cc1ccccc1CCl A13448 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.15 Cc1ccccc1CN L05243 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.15 Cc1ccccc1CO A12696 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.15 Cc1ccccc1CS A15816 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.15 Cc1ccccc1C[Mg+] H54170 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.15 Cc1ccccc1NN A15767 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.15 Cc1ccccc1OC A13897 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.15 c1cc(c(nc1)Cl)CO H63341 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.15 c1ccc(c(c1)C#N)Cl B20451 [2,0,0,0,0,0|0,0,2]=4 177 B9R1.15 c1ccc(c(c1)C=O)Cl A13488 [2,0,0,0,0,0|1,0,1]=4 178 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [2,0,0,0,0,0|1,1,0]=4 179 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.15 c1ccc(c(c1)CBr)F A12692 [2,0,0,0,0,0|1,1,0]=4 181 B9R1.15 c1ccc(c(c1)CBr)I B21715 [2,0,0,0,0,0|1,1,0]=4 182 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [2,0,0,0,0,0|1,1,0]=4 183 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.15 c1ccc(c(c1)CCl)F A11566 [2,0,0,0,0,0|1,1,0]=4 185 B9R1.15 c1ccc(c(c1)CN)Br A12412 [2,0,0,0,0,0|0,1,0]=3 186 B9R1.15 c1ccc(c(c1)CN)Br A18151 [2,0,0,0,0,0|0,1,0]=3 187 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [2,0,0,0,0,0|0,0,0]=2 188 B9R1.15 c1ccc(c(c1)CN)F A15623 [2,0,0,0,0,0|0,1,0]=3 189 B9R1.15 c1ccc(c(c1)CO)Br A15700 [2,0,0,0,0,0|1,1,0]=4 190 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [2,0,0,0,0,0|1,0,0]=3 191 B9R1.15 c1ccc(c(c1)CO)F A14791 [2,0,0,0,0,0|1,1,0]=4 192 B9R1.15 c1ccc(c(c1)CO)I L15126 [2,0,0,0,0,0|1,1,0]=4 193 B9R1.15 c1ccc(c(c1)CO)N A13180 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.15 c1ccc(c(c1)CO)O A14410 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.15 c1ccc(c(c1)CO)S L11536 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.15 c1ccc(c(c1)CS)Br H26247 [2,0,0,0,0,0|1,1,0]=4 197 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [2,0,0,0,0,0|1,1,0]=4 199 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [2,0,0,0,0,0|1,0,0]=3 200 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [2,0,0,0,0,0|1,1,0]=4 201 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [2,0,0,0,0,0|1,1,0]=4 202 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [2,0,0,0,0,0|1,1,0]=4 203 B9R1.15 c1ccc(c(c1)NN)Br B23966 [2,0,0,0,0,0|1,1,0]=4 204 B9R1.15 c1ccc(c(c1)NN)Cl A14136 [2,0,0,0,0,0|1,0,0]=3 205 B9R1.15 c1ccc(c(c1)NN)F A13716 [2,0,0,0,0,0|1,1,0]=4 206 B9R1.15 c1cncc(c1Cl)CO H66522 [2,0,0,0,0,0|2,0,0]=4 207 B11R1.13 c1cc(c(c(c1)Cl)F)CCO H31742 [1,1,0,0,0,0|1,1,0]=4 208 B11R1.13 c1cc(c(c(c1)F)F)CCO H32408 [1,1,0,0,0,0|1,1,0]=4 209 B11R1.41 CCOc1ccccc1C#N H28012 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.41 CCOc1ccccc1C=O A15035 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.41 CCOc1ccccc1CO A15477 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.41 CNCc1ccccc1OC H63339 [1,1,0,0,0,0|1,0,0]=3 213 B11R1.81 CNCc1ccc(cc1Cl)Cl H63409 [1,1,0,0,0,0|0,0,0]=2 214 B11R1.81 c1cc(c(cc1Cl)Cl)CC#N A12873 [1,1,0,0,0,0|0,0,2]=4 215 B11R1.81 c1cc(c(cc1Cl)Cl)CCO H64345 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.81 c1cc(c(cc1F)Cl)CC#N B23132 [1,1,0,0,0,0|0,0,2]=4 217 B11R1.86 CC(=O)Cc1ccccc1Cl L09846 [1,1,0,0,0,0|0,0,1]=3 218 B11R1.86 CC(=O)Cc1ccccc1F H61535 [1,1,0,0,0,0|0,1,1]=4 219 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.86 CC(C)Oc1ccccc1Br B25688 [1,1,0,0,0,0|1,1,0]=4 221 B11R1.86 CC(C)Oc1ccccc1O L07360 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.86 CC(Cc1ccccc1F)N H50999 [1,1,0,0,0,0|0,1,0]=3 223 B11R1.86 Cc1ccccc1CC(=S)N H33111 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl H26685 [1,1,0,0,0,0|0,0,1]=3 226 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl L05711 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.182 CCNc1cc(ccc1C)O L12768 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.182 CCOc1cc(ccc1Br)N B24827 [1,1,0,0,0,0|1,1,0]=4 229 B11R1.182 CCOc1cc(ccc1O)C L08898 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.182 c1cc(c(cc1F)CCO)F H32082 [1,1,0,0,0,0|1,1,0]=4 231 B11R1.222 CCC(=O)c1ccccc1F L12423 [1,1,0,0,0,0|0,1,1]=4 232 B11R1.222 CCC(=O)c1ccccc1O B25442 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.222 CCC(C)c1ccccc1O A18461 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.222 CCC(c1ccccc1F)O H31929 [1,1,0,0,0,0|0,1,0]=3 235 B11R1.222 CNC(=O)c1ccccc1Br H50583 [1,1,0,0,0,0|0,1,1]=4 236 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [1,1,0,0,0,0|0,0,1]=3 237 B11R1.222 CNC(=O)c1ccccc1F H56104 [1,1,0,0,0,0|0,1,1]=4 238 B11R1.222 CNC(=O)c1cccnc1Cl H57963 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.222 COC(=O)c1ccccc1Cl A11237 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl H27303 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl A11361 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.222 c1ccc(c(c1)C(CN)O)F H50770 [1,1,0,0,0,0|0,1,0]=3 243 B11R1.222 c1ccc(c(c1)[C@@H](CO)O)Cl H56431 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.605 CCCc1c(cccc1O)O H27024 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.605 COCc1c(cccc1Cl)Cl B25359 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.605 c1cc(c(c(c1)Cl)CC#N)Cl A19983 [1,1,0,0,0,0|0,0,2]=4 247 B11R1.605 c1cc(c(c(c1)Cl)CC#N)F A11023 [1,1,0,0,0,0|0,0,2]=4 248 B11R1.1 CCCC[n+]1ccc(cc1)C H27100 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.1 CCCC[n+]1ccc(cc1)C H27355 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.1 CCCCc1ccc(cc1)Br B23979 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.1 CCCCc1ccc(cc1)Cl B24138 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.1 CCCCc1ccc(cc1)I A14421 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.1 CCCCc1ccc(cc1)N B25234 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.1 CCCCc1ccc(cc1)O A12812 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.1 CCCOc1ccc(cc1)Br A11462 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.1 CCCOc1ccc(cc1)N H55096 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.1 CCCOc1ccc(cc1)O B22266 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.1 CCNCc1ccc(cc1)F H56689 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.1 COCCc1ccc(cc1)O B23548 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.1 c1cc(ccc1CCC#N)O L07934 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.1 c1cc(ccc1CCCO)Br H61118 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.16 C=CCC(c1ccccc1)O H53466 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.16 CCCC(=O)c1ccccc1 A11345 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.16 CCCC(C)c1ccccc1 B20114 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.16 CCC[C@@H](c1ccccc1)N H27048 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.16 CCC[C@H](c1ccccc1)N H27156 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.16 CNCC(c1ccccc1)O L08111 [1,1,0,0,0,0|0,0,0]=2 268 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O H55567 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.16 c1ccc(cc1)[C@H](CCCl)O H54847 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.24 CCCC[n+]1cccc(c1)C H26983 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.24 CCCC[n+]1cccc(c1)C H27496 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.24 CCNCc1cccc(c1)F H56434 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.28 C#CCCCc1ccccc1 L11608 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.28 C#CCOCc1ccccc1 H53481 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.28 CCCC#Cc1ccccc1 B20857 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.28 CCCCCc1ccccc1 A15734 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.28 CCCCCc1ccccn1 B22125 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.28 CCCCNc1ccccc1 B24180 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.28 CCCCOc1ccccc1 L04703 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.28 CCCCOc1ccccn1 B21651 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.28 CNCCOc1ccccc1 H50258 [1,1,0,0,0,0|0,0,0]=2 282 B11R1.28 COCCSc1ccccc1 L10464 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.28 c1ccc(cc1)CCCC#N L01638 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.28 c1ccc(cc1)CCCCBr B25237 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.28 c1ccc(cc1)CCCCCl A11753 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.28 c1ccc(cc1)CCCCN L02982 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.28 c1ccc(cc1)CCCCO A13433 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.28 c1ccc(cc1)CCN=C=S A15123 [1,1,0,0,0,0|0,0,2]=4 289 B11R1.28 c1ccc(cc1)CNCC#N L18566 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.28 c1ccc(cc1)CNCCN A13262 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.28 c1ccc(cc1)CNCCO A16866 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.28 c1ccc(cc1)COCCBr H56872 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.28 c1ccc(cc1)COCCI H35095 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.28 c1ccc(cc1)CSCCO L12274 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.28 c1ccc(cc1)OCCCBr L12494 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.28 c1ccc(cc1)OCCCN H52398 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.28 c1ccc(cc1)SCCCCl B21345 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.40 CCN(C)Cc1ccccc1 L08520 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.40 COC(=O)Cc1ccccc1 A15537 [1,1,0,0,0,0|1,0,1]=4 300 B11R1.40 c1ccc(cc1)CC(CO)N H63562 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.40 c1ccc(cc1)C[C@@H](CO)N A11586 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.40 c1ccc(cc1)C[C@H](CO)N L09697 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.91 B(CCc1ccccc1)(O)O H52502 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.91 CC(=C)COc1ccccc1 B22369 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.91 CC(=N)SCc1ccccc1 H51844 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.91 CC(=O)CCc1ccccc1 B22777 [1,1,0,0,0,0|1,0,0]=3 307 B11R1.91 CC(=O)OCc1ccccc1 B23472 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.91 CC(C)NCc1ccccc1 B23243 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.91 CC(CCc1ccccc1)N A18804 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.91 CC(CCc1ccccc1)O L05970 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.91 CC(COc1ccccc1)O L04596 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [1,1,0,0,0,0|2,0,0]=4 316 B13R1.16 CCCCOc1cccc(c1F)F H61913 [0,2,0,0,0,0|1,1,0]=4 317 B13R1.164 c1cc(c(cc1Cl)Cl)CCC(=O)O H27745 [0,2,0,0,0,0|2,0,0]=4 318 B13R1.84 CNCCOc1ccccc1OC H50299 [0,2,0,0,0,0|1,0,0]=3 319 B13R1.201 c1ccc(c(c1)C(CC(=O)O)N)Cl L19796 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.202 c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl H27135 [0,2,0,0,0,0|2,0,0]=4 321 B13R1.202 c1ccc(c(c1)C[C@H](C(=O)O)N)Cl H27359 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.528 COC(=O)CCc1ccccc1Br H61342 [0,2,0,0,0,0|1,1,0]=4 323 B13R1.528 COC(=O)CCc1ccccc1O A12219 [0,2,0,0,0,0|2,0,0]=4 324 B13R1.528 c1ccc(c(c1)OCC(=O)NN)Cl A13582 [0,2,0,0,0,0|1,0,1]=4 325 B13R1.3787 c1cc(c(c(c1)Cl)CCC(=O)O)Cl H33210 [0,2,0,0,0,0|2,0,0]=4 326 B13R1.3787 c1cc(c(c(c1)Cl)CCC(=O)O)F H33586 [0,2,0,0,0,0|2,0,0]=4 327 B13R1.158 CC(C)CNCc1ccccc1F H56201 [0,2,0,0,0,0|1,1,0]=4 328 B13R1.555 CCCCNCc1ccccc1F H56775 [0,2,0,0,0,0|1,1,0]=4 329 B13R1.674 CCCNC(=O)c1ccccc1Cl H59736 [0,2,0,0,0,0|1,0,1]=4 330 B11R2.10 CC1=Cc2ccccc2C1 H26875 [1,0,0,1,0,0|1,0,1]=4 331 B11R2.10 c1ccc2c(c1)CC(C2)N H31023 [1,0,0,1,0,0|1,0,0]=3 332 B11R2.10 c1ccc2c(c1)CC(C2)N L14083 [1,0,0,1,0,0|1,0,0]=3 333 B11R2.10 c1ccc2c(c1)CC(C2)O L01766 [1,0,0,1,0,0|2,0,0]=4 334 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [1,0,0,1,0,0|1,0,1]=4 335 B11R2.20 c1ccc2c(c1)CCCC2 A14962 [1,0,0,1,0,0|1,0,0]=3 336 B11R2.20 c1ccc2c(c1)CCCN2 B22750 [1,0,0,1,0,0|1,0,0]=3 337 B11R2.20 c1ccc2c(c1)CCNC2 L08143 [1,0,0,1,0,0|1,0,0]=3 338 B11R2.20 c1ccc2c(c1)CCOC2 A12566 [1,0,0,1,0,0|2,0,0]=4 339 B11R2.20 c1ccc2c(c1)NCCN2 H55473 [1,0,0,1,0,0|2,0,0]=4 340 B11R2.20 c1ccc2c(c1)NCCO2 H33641 [1,0,0,1,0,0|2,0,0]=4 341 B11R2.20 c1ccc2c(c1)NCCS2 H61045 [1,0,0,1,0,0|2,0,0]=4 342 B11R2.20 c1ccc2c(c1)OCCO2 A17558 [1,0,0,1,0,0|2,0,0]=4 343 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl H66153 [1,0,0,1,0,0|0,0,2]=4 344 B11R2.106 c1cc2c(cn[nH]2)c(c1)Cl H37416 [1,0,0,1,0,0|1,0,1]=4 345 B11R2.1 Cn1c2ccccc2nn1 L00297 [1,0,0,1,0,0|2,0,0]=4 346 B11R2.1 Cn1ccc2c1cccc2 A12605 [1,0,0,1,0,0|0,0,2]=4 347 B11R2.1 Cn1cnc2c1cccc2 B25472 [1,0,0,1,0,0|1,0,1]=4 348 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [1,0,0,1,0,0|2,0,0]=4 349 B11R2.1 c1ccc2c(c1)CCC2N A16585 [1,0,0,1,0,0|2,0,0]=4 350 B11R2.1 c1ccc2c(c1)CCC2O B24536 [1,0,0,1,0,0|2,0,0]=4 351 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [1,0,0,1,0,0|2,0,0]=4 352 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [1,0,0,1,0,0|2,0,0]=4 353 B11R2.238 c1ccc(cc1)SC2CC2 L12321 [1,0,0,1,0,0|2,0,0]=4 354 B13R2.32 CC1CCc2ccccc2C1=O H31865 [0,1,0,1,0,0|2,0,0]=4 355 B13R2.3587 Cc1ccccc1OCC2CO2 L10136 [0,1,0,1,0,0|2,0,0]=4 356 B13R2.3587 c1ccc(c(c1)CNC2CC2)F H56182 [0,1,0,1,0,0|1,1,0]=4 357 B13R2.18 c1ccc(c(c1)C2CCCN2)F H61699 [0,1,0,1,0,0|1,1,0]=4 358 B13R2.18 c1ccc(c(c1)N2CCCC2)O L08178 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.12 CCCCC1=CC=CC1 H27576 [1,0,0,0,1,0|1,0,1]=4 360 B9R1.12 CCCCC1=CCC=C1 A16719 [1,0,0,0,1,0|1,0,1]=4 361 B9R1.12 CCCCc1ccco1 A13376 [1,0,0,0,1,0|2,0,0]=4 362 B9R1.12 CCCCc1cccs1 A12740 [1,0,0,0,1,0|2,0,0]=4 363 B9R1.12 CCCCc1ccsc1 H55795 [1,0,0,0,1,0|2,0,0]=4