0 B10R1.10 CCCc1cccc(c1)O B21266 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.10 CCOc1cccc(c1)Br B21418 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.10 CCOc1cccc(c1)O B24266 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.10 CCOc1cccc(n1)Cl B24984 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.10 CNCc1cccc(c1)Br H54294 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.10 CNCc1cccc(c1)Cl H54986 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.10 CNCc1cccc(c1)F H56177 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.10 Cc1cccc(c1)CC#N A10558 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.10 Cc1cccc(c1)CNC H63231 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.10 Cc1cccc(c1)N=C=O L15255 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.10 Cc1cccc(c1)N=C=S A17345 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.10 Cc1cccc(c1)NC=O B24061 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.10 c1cc(cc(c1)Br)CC#N B20189 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.10 c1cc(cc(c1)Br)N=C=O L12292 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.10 c1cc(cc(c1)Br)N=C=S L09871 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.10 c1cc(cc(c1)Br)\C=N\O B25181 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.10 c1cc(cc(c1)Cl)CC#N A15673 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.10 c1cc(cc(c1)Cl)N=C=O L11483 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.10 c1cc(cc(c1)Cl)N=C=S A11999 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.10 c1cc(cc(c1)F)CC#N A12737 [0,0,0,0,0,0|1,0,2]=3 20 B10R1.10 c1cc(cc(c1)F)CCN H64762 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.10 c1cc(cc(c1)F)N=C=O L01496 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.10 c1cc(cc(c1)F)N=C=S B25001 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.10 c1cc(cc(c1)I)CC#N L15118 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.10 c1cc(cc(c1)I)N=C=O H30803 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.10 c1cc(cc(c1)I)N=C=S L10235 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.2 C#Cc1cccc(c1)N L20124 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.2 C#Cc1cccc(c1)O L11523 [1,0,0,0,0,0|0,0,2]=3 28 B9R1.2 C=Cc1cccc(c1)Br B24497 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.2 C=Cc1cccc(c1)Cl B23806 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.2 C=Cc1cccc(c1)F A12406 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.2 CC[n+]1cccc(c1)O H55169 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.2 CCc1cccc(c1)Br A12258 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.2 CCc1cccc(c1)C L18788 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.2 CCc1cccc(c1)O B23470 [1,0,0,0,0,0|0,0,0]=1 35 B9R1.2 CCc1cccc(n1)N A19146 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.2 CCc1ccnc(c1)N A18754 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.2 CNc1cccc(c1)Br H55464 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.2 CNc1cccc(c1)Cl A12418 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.2 CNc1cccc(c1)F B22565 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.2 COc1cc(ccn1)Br H64026 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.2 COc1cc(cnc1)Br H27728 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.2 COc1cccc(c1)Br A15625 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.2 COc1cccc(c1)Cl A17327 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.2 COc1cccc(c1)F A10931 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.2 COc1cccc(c1)I A14208 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.2 COc1cccc(c1)N A10815 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.2 COc1cccc(c1)O A12826 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.2 COc1cccc(c1)S A10648 [1,0,0,0,0,0|1,1,0]=3 49 B9R1.2 COc1cccc(c1)[Mg+] H54780 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.2 COc1cccc(c1)[Zn+] H58982 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.2 COc1cccc(n1)Br H30593 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.2 COc1cccc(n1)Cl L05997 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.2 COc1cccc(n1)F H32994 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.2 COc1cccc(n1)N H66436 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.2 COc1ccnc(c1)Cl L17697 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.2 COc1ccnc(c1)N H66125 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.2 CSc1cccc(c1)Br B25406 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.2 CSc1cccc(c1)Cl L11346 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.2 CSc1cccc(c1)N B23184 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.2 Cc1cccc(c1)C#C L17184 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.2 Cc1cccc(c1)C#N A13165 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.2 Cc1cccc(c1)C=C L08072 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.2 Cc1cccc(c1)C=O A15313 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.2 Cc1cccc(c1)CBr B24731 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.2 Cc1cccc(c1)CCl A10784 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.2 Cc1cccc(c1)CN L04922 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.2 Cc1cccc(c1)CO B20875 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.2 Cc1cccc(c1)CS L12043 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.2 Cc1cccc(c1)C[Mg+] H54617 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.2 Cc1cccc(c1)NN A13667 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.2 Cc1cccc(c1)NN L11958 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.2 Cc1cccc(c1)OC B21455 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.2 Cc1cccc(n1)CBr H55438 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.2 Cc1cccc(n1)CO H26794 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.2 Cc1cccc(n1)OC H25772 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.2 c1c(cncc1Br)CCl H66131 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.2 c1c(cncc1Br)CO H52339 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.2 c1c(cncc1O)C#N H33006 [1,0,0,0,0,0|1,0,2]=4 79 B9R1.2 c1cc(cc(c1)Br)C#N A13317 [1,0,0,0,0,0|1,0,2]=4 80 B9R1.2 c1cc(cc(c1)Br)C=O A11941 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.2 c1cc(cc(c1)Br)CBr A15075 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.2 c1cc(cc(c1)Br)CCl L12458 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.2 c1cc(cc(c1)Br)CN A16132 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.2 c1cc(cc(c1)Br)CN B24963 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.2 c1cc(cc(c1)Br)CO A10929 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.2 c1cc(cc(c1)Br)CS H26358 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.2 c1cc(cc(c1)Br)C[Mg+] H60329 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.2 c1cc(cc(c1)Br)C[Zn+] H58983 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.2 c1cc(cc(c1)Br)NN B23510 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.2 c1cc(cc(c1)Cl)C#N A13237 [1,0,0,0,0,0|1,0,2]=4 91 B9R1.2 c1cc(cc(c1)Cl)C=O A13254 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.2 c1cc(cc(c1)Cl)CBr A15844 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.2 c1cc(cc(c1)Cl)CCl A11041 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.2 c1cc(cc(c1)Cl)CN A14078 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.2 c1cc(cc(c1)Cl)CO A11841 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.2 c1cc(cc(c1)Cl)C[Mg+] H54237 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.2 c1cc(cc(c1)Cl)C[Zn+] H58753 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.2 c1cc(cc(c1)Cl)NN A14770 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.2 c1cc(cc(c1)F)C#N B23426 [1,0,0,0,0,0|1,0,2]=4 100 B9R1.2 c1cc(cc(c1)F)C=O A11396 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.2 c1cc(cc(c1)F)CBr A15446 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.2 c1cc(cc(c1)F)CCl A12665 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.2 c1cc(cc(c1)F)CN B23527 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.2 c1cc(cc(c1)F)CO A12509 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.2 c1cc(cc(c1)F)C[Mg+] H54485 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.2 c1cc(cc(c1)F)C[Zn+] H58707 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.2 c1cc(cc(c1)F)NN L07418 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.2 c1cc(cc(c1)I)C#N B22020 [1,0,0,0,0,0|1,0,2]=4 109 B9R1.2 c1cc(cc(c1)I)C=O L17447 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.2 c1cc(cc(c1)I)CBr A11140 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.2 c1cc(cc(c1)I)CN L05622 [1,0,0,0,0,0|1,0,0]=2 112 B9R1.2 c1cc(cc(c1)I)CN L17801 [1,0,0,0,0,0|1,0,0]=2 113 B9R1.2 c1cc(cc(c1)I)CO L05309 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.2 c1cc(cc(c1)N)C#N A13995 [1,0,0,0,0,0|1,0,2]=4 115 B9R1.2 c1cc(cc(c1)N)CO L07847 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.2 c1cc(cc(c1)O)C#N B21702 [1,0,0,0,0,0|0,0,2]=3 117 B9R1.2 c1cc(cc(c1)O)C=O A13541 [1,0,0,0,0,0|1,0,1]=3 118 B9R1.2 c1cc(cc(c1)O)CN H35708 [1,0,0,0,0,0|0,0,0]=1 119 B9R1.2 c1cc(cc(c1)O)CO A15981 [1,0,0,0,0,0|1,0,0]=2 120 B9R1.2 c1cc(nc(c1)Br)CO H56123 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.2 c1cc(nc(c1)Br)NN H64664 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.2 c1cc(nc(c1)Cl)NN H27249 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.2 c1cc(nc(c1)N)CO H33485 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.2 c1cnc(cc1CO)Br L19856 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.2 c1cnc(cc1CO)Cl H50099 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.2 c1cnc(cc1CO)N L19846 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.8 C#CCc1ccccc1 H53500 [1,0,0,0,0,0|1,0,1]=3 128 B9R1.8 C=CCc1ccccc1 A12965 [1,0,0,0,0,0|1,0,1]=3 129 B9R1.8 CC#Cc1ccccc1 A14272 [1,0,0,0,0,0|1,0,2]=4 130 B9R1.8 CCCc1ccccc1 B21468 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.8 CCNc1ccccc1 A15060 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.8 CCOc1ccccc1 A15501 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.8 CCOc1ccccn1 L05649 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.8 CCSc1ccccc1 A13987 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.8 CNCc1ccccc1 A13746 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.8 CNCc1cccnc1 H50262 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.8 COCc1ccccc1 B23490 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.8 C\N=C\c1ccccc1 B25161 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.8 c1cc(cnc1)CC#N B24964 [1,0,0,0,0,0|1,0,2]=4 140 B9R1.8 c1cc(cnc1)CCN L16311 [1,0,0,0,0,0|1,0,0]=2 141 B9R1.8 c1cc[n+](cc1)CC#N A14327 [1,0,0,0,0,0|1,0,2]=4 142 B9R1.8 c1ccc(cc1)CC#N A10694 [1,0,0,0,0,0|0,0,2]=3 143 B9R1.8 c1ccc(cc1)CC=O A14263 [1,0,0,0,0,0|1,0,1]=3 144 B9R1.8 c1ccc(cc1)CCBr A12528 [1,0,0,0,0,0|1,0,0]=2 145 B9R1.8 c1ccc(cc1)CCCl L04891 [1,0,0,0,0,0|1,0,0]=2 146 B9R1.8 c1ccc(cc1)CCN A13402 [1,0,0,0,0,0|0,0,0]=1 147 B9R1.8 c1ccc(cc1)CCO A15241 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [1,0,0,0,0,0|1,0,0]=2 149 B9R1.8 c1ccc(cc1)CNN H54916 [1,0,0,0,0,0|1,0,0]=2 150 B9R1.8 c1ccc(cc1)CON A17393 [1,0,0,0,0,0|1,0,0]=2 151 B9R1.8 c1ccc(cc1)CON L13601 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.8 c1ccc(cc1)N=C=O A12808 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.8 c1ccc(cc1)N=C=S A11596 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.8 c1ccc(cc1)N=S=O H59451 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.8 c1ccc(cc1)NC=O A12472 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.8 c1ccc(cc1)OC=O L00289 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.8 c1ccc(cc1)[Se]C#N L20194 [1,0,0,0,0,0|1,0,2]=4 158 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [1,0,0,0,0,0|1,0,2]=4 159 B9R1.8 c1ccc(cc1)\C=N\O A12053 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.8 c1ccnc(c1)CC#N A13087 [1,0,0,0,0,0|1,0,2]=4 161 B9R1.8 c1ccnc(c1)CCN L05627 [1,0,0,0,0,0|1,0,0]=2 162 B9R1.8 c1ccnc(c1)CCO B23579 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.8 c1cnc(cn1)CCS A13045 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.8 c1cnccc1CC#N B25095 [1,0,0,0,0,0|1,0,2]=4 165 B9R1.8 c1cnccc1CC#N H64588 [1,0,0,0,0,0|1,0,2]=4 166 B9R1.8 c1cnccc1CCN H27545 [1,0,0,0,0,0|1,0,0]=2 167 B9R1.8 c1cnccc1CCO L13780 [1,0,0,0,0,0|2,0,0]=3 168 B11R1.13 Cc1c(cccc1F)CC#N H32846 [0,1,0,0,0,0|1,0,2]=4 169 B11R1.13 c1cc(c(c(c1)Br)F)CC#N H32021 [0,1,0,0,0,0|1,0,2]=4 170 B11R1.13 c1cc(c(c(c1)Cl)F)CCO H31742 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.13 c1cc(c(c(c1)F)F)CC#N A19934 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.13 c1cc(c(c(c1)F)F)CCO H32408 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.23 CCC(=O)c1cccc(c1)Br A16757 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.23 CCC(=O)c1cccc(c1)Cl A12542 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.23 CCC(=O)c1cccc(c1)F L11922 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.23 CCC(c1cccc(c1)F)O H32342 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.23 COC(=O)c1cccc(c1)O A14425 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.23 Cc1cccc(c1)C(=O)NN L01043 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr A15210 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.23 c1cc(cc(c1)Br)C(=O)NN A19628 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr H66077 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN L01071 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.23 c1cc(cc(c1)N)C(=O)NN A11491 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.23 c1cc(cc(c1)O)C(=O)NN L04357 [0,1,0,0,0,0|1,0,1]=3 185 B11R1.23 c1cc(cc(c1)O)\C(=N\O)\N H52246 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.24 CCCC[n+]1cccc(c1)C H26983 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.24 CCCC[n+]1cccc(c1)C H27496 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.24 CCNCc1cccc(c1)F H56434 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.24 Cc1cccc(c1)CN=C=S H54893 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.24 Cc1cccc(c1)OCCO L04984 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.24 c1cc(cc(c1)Cl)OCC#N A15730 [0,1,0,0,0,0|1,0,2]=4 192 B11R1.24 c1cc(cc(c1)F)OCCN H51681 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.34 Cc1cc(cc(c1)CC#N)C L10170 [0,1,0,0,0,0|1,0,2]=4 194 B11R1.34 c1c(cc(cc1F)Br)CC#N H62605 [0,1,0,0,0,0|1,0,2]=4 195 B11R1.34 c1c(cc(cc1F)Cl)CC#N H30410 [0,1,0,0,0,0|1,0,2]=4 196 B11R1.34 c1c(cc(cc1F)F)CC#N A19544 [0,1,0,0,0,0|1,0,2]=4 197 B11R1.157 CC(=O)Cc1cccc(c1)F B22061 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.157 CC(=O)Nc1cccc(c1)O A12764 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.157 CC(C)Oc1cccc(c1)Br L13802 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.157 Cc1cccc(c1)CC(=O)Cl H37453 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.157 Cc1cccc(c1)CC(=O)O A17743 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.157 Cc1cccc(c1)CC(=S)N H33031 [0,1,0,0,0,0|1,0,1]=3 203 B11R1.157 Cc1cccc(c1)NC(=O)N B20749 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.157 c1cc(cc(c1)Br)CC(=O)O B20758 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.157 c1cc(cc(c1)Br)NC(=O)N L11370 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.157 c1cc(cc(c1)Br)OC(F)F B23977 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O A11210 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.157 c1cc(cc(c1)Cl)CC(=S)N H32426 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.157 c1cc(cc(c1)Cl)NC(=S)N L07123 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.157 c1cc(cc(c1)F)CC(=O)O A15635 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.157 c1cc(cc(c1)F)NC(=S)N L09538 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.157 c1cc(cc(c1)I)CC(=O)O L15117 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.157 c1cc(cc(c1)O)CC(=O)O B23563 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.157 c1cc(cc(c1)O)NC(=S)N L09975 [0,1,0,0,0,0|1,0,1]=3 215 B11R1.157 c1cc(cc(c1)OC(F)F)N H53468 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.182 CCNc1cc(ccc1C)O L12768 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.182 CCOc1cc(ccc1Br)N B24827 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.182 CCOc1cc(ccc1O)C L08898 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.182 Cc1ccc(c(c1)CC#N)C L01942 [0,1,0,0,0,0|1,0,2]=4 220 B11R1.182 c1cc(c(cc1Br)CC#N)F H62213 [0,1,0,0,0,0|1,0,2]=4 221 B11R1.182 c1cc(c(cc1F)CC#N)F B20246 [0,1,0,0,0,0|1,0,2]=4 222 B11R1.182 c1cc(c(cc1F)CCO)F H32082 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.189 CCOc1cccc(c1)C#N A13908 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.189 CCOc1cccc(c1)C=O A18940 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.189 CNCc1cccc(c1)C#N H63054 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.189 CNCc1cccc(c1)OC H54970 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.189 COc1cccc(c1)CC#N A14317 [0,1,0,0,0,0|0,0,2]=3 228 B11R1.189 COc1cccc(c1)CCN H64494 [0,1,0,0,0,0|0,0,0]=1 229 B11R1.189 COc1cccc(c1)N=C=O B24329 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.189 COc1cccc(c1)N=C=S A15090 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.192 CCOc1ccc(c(c1)F)F B25590 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.192 CCOc1ccc(c(c1)F)N H33706 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.192 c1cc(c(cc1CC#N)Br)F H62260 [0,1,0,0,0,0|1,0,2]=4 234 B11R1.192 c1cc(c(cc1CC#N)Cl)Cl A11382 [0,1,0,0,0,0|1,0,2]=4 235 B11R1.192 c1cc(c(cc1CC#N)F)Br H61205 [0,1,0,0,0,0|1,0,2]=4 236 B11R1.192 c1cc(c(cc1CC#N)F)F A17893 [0,1,0,0,0,0|1,0,2]=4 237 B11R1.192 c1cc(c(cc1CCN)O)O A11136 [0,1,0,0,0,0|0,0,0]=1 238 B11R1.192 c1cc(c(cc1CCO)Cl)F H32291 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.192 c1cc(c(cc1CCO)F)F H31710 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.192 c1cc(c(cc1\C=N\O)O)O L17766 [0,1,0,0,0,0|2,0,1]=4 241 B11R2.36 Cc1ccc2c(c1)cc[nH]2 L06893 [0,0,0,1,0,0|1,0,2]=4 242 B11R2.36 Cc1ccc2c(c1)cn[nH]2 H31828 [0,0,0,1,0,0|2,0,1]=4 243 B11R2.36 Cc1ccc2c(c1)nc[nH]2 A15957 [0,0,0,1,0,0|2,0,1]=4 244 B11R2.36 Cc1ccc2c(c1)nn[nH]2 A10615 [0,0,0,1,0,0|3,0,0]=4 245 B11R2.36 c1cc(cc2c1cc[nH]2)O H55951 [0,0,0,1,0,0|2,0,1]=4 246 B11R2.36 c1cc2c(cc1Br)CCN2 L16992 [0,0,0,1,0,0|1,0,0]=2 247 B11R2.36 c1cc2c(cc1Br)OCO2 A17906 [0,0,0,1,0,0|3,0,0]=4 248 B11R2.36 c1cc2c(cc1Br)cn[nH]2 H54673 [0,0,0,1,0,0|2,0,1]=4 249 B11R2.36 c1cc2c(cc1Cl)OCO2 B22534 [0,0,0,1,0,0|3,0,0]=4 250 B11R2.36 c1cc2c(cc1F)CCN2 H54158 [0,0,0,1,0,0|1,0,0]=2 251 B11R2.36 c1cc2c(cc1F)cn[nH]2 H26033 [0,0,0,1,0,0|2,0,1]=4 252 B11R2.36 c1cc2c(cc1N)CCC2 L02504 [0,0,0,1,0,0|2,0,0]=3 253 B11R2.36 c1cc2c(cc1N)CCO2 H33344 [0,0,0,1,0,0|2,0,0]=3 254 B11R2.36 c1cc2c(cc1N)OCO2 A12975 [0,0,0,1,0,0|3,0,0]=4 255 B11R2.36 c1cc2c(cc1N)cn[nH]2 L06705 [0,0,0,1,0,0|2,0,1]=4 256 B11R2.36 c1cc2c(cc1N)nn[nH]2 L06660 [0,0,0,1,0,0|3,0,0]=4 257 B11R2.36 c1cc2c(cc1O)CCC2 L01623 [0,0,0,1,0,0|1,0,0]=2 258 B11R2.36 c1cc2c(cc1O)OCO2 A10453 [0,0,0,1,0,0|2,0,0]=3 259 B11R2.36 c1cc2c(cc1[Mg+])OCO2 H54632 [0,0,0,1,0,0|3,0,0]=4 260 B11R2.36 c1cc2c(cc[nH]2)cc1Br B20307 [0,0,0,1,0,0|1,0,2]=4 261 B11R2.36 c1cc2c(cc[nH]2)cc1Cl A13592 [0,0,0,1,0,0|1,0,2]=4 262 B11R2.36 c1cc2c(cc[nH]2)cc1F A15346 [0,0,0,1,0,0|1,0,2]=4 263 B11R2.36 c1cc2c(cc[nH]2)cc1I B20638 [0,0,0,1,0,0|1,0,2]=4 264 B11R2.36 c1cc2c(cc[nH]2)cc1N B24391 [0,0,0,1,0,0|1,0,2]=4 265 B11R2.36 c1cc2c(cc[nH]2)cc1O L00858 [0,0,0,1,0,0|0,0,2]=3 266 B11R2.106 Cc1cccc2c1[nH]cc2 L17521 [0,0,0,1,0,0|1,0,2]=4 267 B11R2.106 c1cc2c(c(c1)O)nn[nH]2 H25843 [0,0,0,1,0,0|2,0,1]=4 268 B11R2.106 c1cc2c(cc[nH]2)c(c1)O L14352 [0,0,0,1,0,0|2,0,1]=4 269 B11R2.106 c1cc2cc[nH]c2c(c1)Br 44422 [0,0,0,1,0,0|1,0,2]=4 270 B11R2.106 c1cc2cc[nH]c2c(c1)Cl L17637 [0,0,0,1,0,0|1,0,2]=4 271 B11R2.106 c1cc2cc[nH]c2c(c1)F L17621 [0,0,0,1,0,0|1,0,2]=4 272 B11R2.106 c1cc2cc[nH]c2c(c1)N L17794 [0,0,0,1,0,0|1,0,2]=4 273 B11R2.106 c1cc2cn[nH]c2c(c1)Br H32380 [0,0,0,1,0,0|2,0,1]=4 274 B11R2.106 c1cc2cn[nH]c2c(c1)N H34042 [0,0,0,1,0,0|2,0,1]=4 275 B8R0.4 CCC\C=C\C=C\CO A16820 [1,0,1,0,0,0|1,0,1]=4 276 B8R1.2 C#Cc1ccccc1 A12139 [2,0,0,0,0,0|0,0,2]=4 277 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|0,0,2]=4 278 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|0,0,2]=4 279 B8R1.2 CC[n+]1ccccc1 A17911 [2,0,0,0,0,0|1,0,0]=3 280 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|0,0,0]=2 281 B8R1.2 CCc1ccccn1 A17352 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.2 CCc1cccnc1 B20318 [2,0,0,0,0,0|1,0,0]=3 283 B8R1.2 CCc1ccncc1 A12883 [2,0,0,0,0,0|1,0,0]=3 284 B8R1.2 CCc1cnccn1 A12759 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.2 CNc1ccccn1 B23589 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 CNc1cccnc1 H63602 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 CNc1ccncc1 L19626 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|1,0,0]=3 290 B8R1.2 COc1ccccn1 A13675 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 COc1ccncc1 L19625 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.2 [2H]Oc1ccccc1 H51100 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 [C-]#Cc1ccccc1 17538 [2,0,0,0,0,0|0,0,2]=4 296 B8R1.2 c1cc(cnc1)CCl A13279 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 c1cc(cnc1)CN B23634 [2,0,0,0,0,0|1,0,0]=3 298 B8R1.2 c1cc(cnc1)CO A10381 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 c1ccc(cc1)C#N 10004 [2,0,0,0,0,0|0,0,2]=4 300 B8R1.2 c1ccc(cc1)C#N 10006 [2,0,0,0,0,0|0,0,2]=4 301 B8R1.2 c1ccc(cc1)C#N A11173 [2,0,0,0,0,0|0,0,2]=4 302 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|1,0,1]=4 303 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|1,0,1]=4 304 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|1,0,1]=4 305 B8R1.2 c1ccc(cc1)CBr A13535 [2,0,0,0,0,0|1,0,0]=3 306 B8R1.2 c1ccc(cc1)CCl A12481 [2,0,0,0,0,0|1,0,0]=3 307 B8R1.2 c1ccc(cc1)CN A10997 [2,0,0,0,0,0|0,0,0]=2 308 B8R1.2 c1ccc(cc1)CN L04102 [2,0,0,0,0,0|0,0,0]=2 309 B8R1.2 c1ccc(cc1)CN L19471 [2,0,0,0,0,0|0,0,0]=2 310 B8R1.2 c1ccc(cc1)CO 41218 [2,0,0,0,0,0|1,0,0]=3 311 B8R1.2 c1ccc(cc1)CO L03292 [2,0,0,0,0,0|1,0,0]=3 312 B8R1.2 c1ccc(cc1)CO L19592 [2,0,0,0,0,0|1,0,0]=3 313 B8R1.2 c1ccc(cc1)CS 44466 [2,0,0,0,0,0|1,0,0]=3 314 B8R1.2 c1ccc(cc1)CS B20081 [2,0,0,0,0,0|1,0,0]=3 315 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [2,0,0,0,0,0|1,0,0]=3 316 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [2,0,0,0,0,0|1,0,0]=3 317 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [2,0,0,0,0,0|1,0,0]=3 318 B8R1.2 c1ccc(cc1)I=O B24531 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.2 c1ccc(cc1)NN A11246 [2,0,0,0,0,0|1,0,0]=3 320 B8R1.2 c1ccc(cc1)NN A14645 [2,0,0,0,0,0|1,0,0]=3 321 B8R1.2 c1ccc(cc1)[As]=O A14674 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.2 c1ccc(cc1)[Se]Br A11906 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.2 c1ccnc(c1)CCl A10226 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.2 c1ccnc(c1)CN B23208 [2,0,0,0,0,0|1,0,0]=3 326 B8R1.2 c1ccnc(c1)CO A15005 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.2 c1cnccc1CCl A12859 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.2 c1cnccc1CN L06345 [2,0,0,0,0,0|1,0,0]=3 329 B8R1.2 c1cnccc1CO A14698 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.2 c1cncnc1CN H32582 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.4 Cc1cc(ccn1)Br H27884 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.4 Cc1cc(ccn1)Cl B24719 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.4 Cc1cc(ccn1)Cl H64093 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.4 Cc1cc(ccn1)F H64284 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.4 Cc1cc(ccn1)N H55036 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.4 Cc1cc(cnc1)Br H30137 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.4 Cc1cc(cnc1)C A14877 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.4 Cc1cc(cnc1)O H32658 [2,0,0,0,0,0|1,0,0]=3 339 B8R1.4 Cc1cc(ncn1)O H61404 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.4 Cc1ccc[n+](c1)[O-] A12578 [2,0,0,0,0,0|1,0,1]=4 341 B8R1.4 Cc1cccc(c1)Br A13990 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.4 Cc1cccc(c1)C L03788 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.4 Cc1cccc(c1)Cl A16991 [2,0,0,0,0,0|1,0,0]=3 344 B8R1.4 Cc1cccc(c1)F A16107 [2,0,0,0,0,0|1,0,0]=3 345 B8R1.4 Cc1cccc(c1)I A10999 [2,0,0,0,0,0|1,0,0]=3 346 B8R1.4 Cc1cccc(c1)N A14058 [2,0,0,0,0,0|1,0,0]=3 347 B8R1.4 Cc1cccc(c1)O A10733 [2,0,0,0,0,0|0,0,0]=2 348 B8R1.4 Cc1cccc(c1)S B23818 [2,0,0,0,0,0|0,1,0]=3 349 B8R1.4 Cc1cccc(c1)[Zn+] H58431 [2,0,0,0,0,0|1,0,0]=3 350 B8R1.4 Cc1cccc(n1)Br L20018 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.4 Cc1cccc(n1)C A10478 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.4 Cc1cccc(n1)Cl B20174 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.4 Cc1cccc(n1)F L01561 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.4 Cc1cccc(n1)N A10444 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.4 Cc1cccc(n1)O A14764 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.4 Cc1cccc(n1)[Zn+] H58354 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.4 Cc1ccnc(c1)Br B25253 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.4 Cc1ccnc(c1)C B22913 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.4 Cc1ccnc(c1)Cl H60607 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.4 Cc1ccnc(c1)F L01602 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.4 Cc1ccnc(c1)N A14177 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.4 Cc1ccnc(c1)O L16188 [2,0,0,0,0,0|1,0,0]=3 363 B8R1.4 Cc1ccnc(n1)O B22255 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.4 c1c(cncc1Br)N H56566 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.4 c1c(cncc1Br)O H27256 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.4 c1c(cncc1Cl)N H31833 [2,0,0,0,0,0|2,0,0]=4 367 B8R1.4 c1c(cncc1Cl)O L07568 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.4 c1c(cncc1F)N H34111 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.4 c1c(cncc1F)O H32683 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.4 c1c(ncnc1O)N L03825 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.4 c1cc(cc(c1)Br)Br A12723 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.4 c1cc(cc(c1)Br)Cl A14026 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.4 c1cc(cc(c1)Br)F A10858 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.4 c1cc(cc(c1)Br)N A13665 [2,0,0,0,0,0|1,0,0]=3 375 B8R1.4 c1cc(cc(c1)Br)O A14849 [2,0,0,0,0,0|1,0,0]=3 376 B8R1.4 c1cc(cc(c1)Br)S B25092 [2,0,0,0,0,0|1,1,0]=4 377 B8R1.4 c1cc(cc(c1)Br)[Zn+] H58686 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.4 c1cc(cc(c1)Cl)Cl A13688 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.4 c1cc(cc(c1)Cl)F A13123 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.4 c1cc(cc(c1)Cl)N A12019 [2,0,0,0,0,0|1,0,0]=3 381 B8R1.4 c1cc(cc(c1)Cl)N L13484 [2,0,0,0,0,0|1,0,0]=3 382 B8R1.4 c1cc(cc(c1)Cl)O A13671 [2,0,0,0,0,0|1,0,0]=3 383 B8R1.4 c1cc(cc(c1)Cl)S L04806 [2,0,0,0,0,0|1,1,0]=4 384 B8R1.4 c1cc(cc(c1)Cl)[Mg+] H51161 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.4 c1cc(cc(c1)F)F A14387 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.4 c1cc(cc(c1)F)N A14228 [2,0,0,0,0,0|1,0,0]=3 387 B8R1.4 c1cc(cc(c1)F)O A13598 [2,0,0,0,0,0|1,0,0]=3 388 B8R1.4 c1cc(cc(c1)I)Br A19596 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.4 c1cc(cc(c1)I)Cl A15567 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.4 c1cc(cc(c1)I)F A11706 [2,0,0,0,0,0|2,0,0]=4 391 B8R1.4 c1cc(cc(c1)I)I L17445 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.4 c1cc(cc(c1)I)N L01159 [2,0,0,0,0,0|1,0,0]=3 393 B8R1.4 c1cc(cc(c1)I)O A11155 [2,0,0,0,0,0|1,0,0]=3 394 B8R1.4 c1cc(cc(c1)N)N A15339 [2,0,0,0,0,0|1,0,0]=3 395 B8R1.4 c1cc(cc(c1)O)N A11943 [2,0,0,0,0,0|0,0,0]=2 396 B8R1.4 c1cc(cc(c1)O)O 36248 [2,0,0,0,0,0|1,0,0]=3 397 B8R1.4 c1cc(cc(c1)O)O A13080 [2,0,0,0,0,0|1,0,0]=3 398 B8R1.4 c1cc(cc(c1)S)F B23114 [2,0,0,0,0,0|1,1,0]=4 399 B8R1.4 c1cc(cc(c1)S)N B25473 [2,0,0,0,0,0|0,1,0]=3 400 B8R1.4 c1cc(cc(c1)S)S L19439 [2,0,0,0,0,0|1,1,0]=4 401 B8R1.4 c1cc(cc(c1)[Mg+])F H51168 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.4 c1cc(cc(c1)[Zn+])Cl H58709 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.4 c1cc(cc(c1)[Zn+])F H58161 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.4 c1cc(nc(c1)Br)N H26555 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.4 c1cc(nc(c1)Cl)N L19836 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.4 c1cc(nc(c1)Cl)O A13164 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.4 c1cc(nc(c1)F)N H30629 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.4 c1cc(nc(c1)F)O H31686 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.4 c1cc(nc(c1)N)N A12295 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.4 c1cnc(cc1Br)N H31500 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.4 c1cnc(cc1Br)O H32067 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.4 c1cnc(cc1Cl)N H59130 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.4 c1cnc(cc1Cl)O H29250 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.4 c1cnc(cc1F)N H64233 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.4 c1cnc(cc1N)Br L20007 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.4 c1cnc(cc1N)Cl B22098 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.4 c1cnc(cc1O)Cl H27549 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.4 c1cnc(cc1O)F H31697 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.4 c1cnc(cc1O)N H64836 [2,0,0,0,0,0|1,0,0]=3 420 B8R1.4 c1cnc(cc1O)O A13566 [2,0,0,0,0,0|2,0,0]=4 421 B10R1.2 CCc1cccc(c1I)C A10839 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.2 CCc1cccc(c1N)C A12796 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.2 CCc1cccc(c1O)C B25213 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.2 COc1cccc(c1Cl)Cl A12257 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.2 COc1cccc(c1F)Cl H26560 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.2 COc1cccc(c1F)F B22916 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.2 COc1cccc(c1N)N H35286 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.2 COc1cccc(c1O)Br B25535 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.2 COc1cccc(c1O)F H26471 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.2 COc1cccc(c1O)O B20006 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.2 Cc1c(cccc1Cl)OC B22203 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.2 Cc1c(cccc1F)CBr H26784 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.2 Cc1c(cccc1F)CN H26237 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.2 Cc1cccc(c1C)NN A16526 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.2 Cc1cccc(c1C)OC A19992 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.2 Cc1cccc(c1F)CBr B20538 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.2 c1cc(c(c(c1)Br)F)CBr H32228 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.2 c1cc(c(c(c1)Br)F)CO H64371 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN L11884 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.2 c1cc(c(c(c1)Cl)Cl)C[Mg+] H54858 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.2 c1cc(c(c(c1)Cl)Cl)NN A10717 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.2 c1cc(c(c(c1)Cl)F)CBr A13114 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.2 c1cc(c(c(c1)Cl)F)CN L19227 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.2 c1cc(c(c(c1)Cl)F)C[Mg+] H54639 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.2 c1cc(c(c(c1)F)Br)CBr H63632 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.2 c1cc(c(c(c1)F)F)CBr B20214 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.2 c1cc(c(c(c1)F)F)CN B20420 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.2 c1cc(c(c(c1)F)F)CO B20980 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.2 c1cc(c(c(c1)F)F)C[Mg+] H54671 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.2 c1cc(c(c(c1)O)O)C=O A13490 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.8 COc1cc(cc(c1)Br)Br H55925 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.8 COc1cc(cc(c1)Cl)Cl A15521 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.8 COc1cc(cc(c1)Cl)F H55266 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.8 COc1cc(cc(c1)F)F A15497 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.8 COc1cc(cc(c1)O)O H61996 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.8 Cc1cc(cc(c1)CBr)C A14267 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.8 Cc1cc(cc(c1)CO)C L14726 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.8 Cc1cc(cc(c1)F)CBr H26702 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.8 Cc1cc(cc(c1)F)CN H26262 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.8 Cc1cc(cc(c1)NN)C A11336 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.8 Cc1cc(cc(c1)OC)C B20651 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.8 Cc1cc(cc(c1)OC)O H27516 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.8 c1c(cc(cc1Br)Br)CBr A12726 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.8 c1c(cc(cc1Br)Br)CO B21574 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.8 c1c(cc(cc1Cl)Cl)CN L12054 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.8 c1c(cc(cc1Cl)Cl)CO A13527 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.8 c1c(cc(cc1Cl)Cl)C[Mg+] H54734 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.8 c1c(cc(cc1Cl)Cl)NN A15127 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.8 c1c(cc(cc1F)Br)CBr H63769 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.8 c1c(cc(cc1F)Br)CN H62240 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.8 c1c(cc(cc1F)Br)CO H61415 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.8 c1c(cc(cc1F)Cl)CBr H26309 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.8 c1c(cc(cc1F)Cl)CN H26284 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.8 c1c(cc(cc1F)Cl)CN H51131 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.8 c1c(cc(cc1F)Cl)CO H32122 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.8 c1c(cc(cc1F)F)CBr A18628 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.8 c1c(cc(cc1F)F)CCl L19646 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.8 c1c(cc(cc1F)F)CN B20082 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.8 c1c(cc(cc1F)F)CO A18213 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.8 c1c(cc(cc1F)F)C[Mg+] H54427 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.8 c1c(cc(cc1F)F)NN H26189 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.8 c1c(cc(cc1O)O)C#N L05642 [1,1,0,0,0,0|0,0,2]=4 483 B10R1.8 c1c(cc(cc1O)O)C=O A15338 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.8 c1c(cc(cc1O)O)CO B25248 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.30 CCc1cc(ccc1Br)Br B25446 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.30 CCc1cc(ccc1Cl)Br B25613 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.30 CCc1cc(ccc1I)Br B20052 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.30 CCc1cc(ccc1N)Br A13077 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.30 CCc1cc(ccc1N)Br L12725 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.30 COc1cc(ccc1Br)Cl B25512 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.30 COc1cc(ccc1Br)F H26325 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.30 COc1cc(ccc1Br)N B25541 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.30 COc1cc(ccc1Br)O H28116 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.30 COc1cc(ccc1Cl)Br H55533 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.30 COc1cc(ccc1Cl)Cl L13497 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.30 COc1cc(ccc1Cl)N H28331 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.30 COc1cc(ccc1F)Br H61892 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.30 COc1cc(ccc1F)F A14255 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.30 COc1cc(ccc1N)Br H61454 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.30 COc1cc(ccc1N)F H61965 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.30 COc1cc(ccc1O)Br L08801 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.30 COc1cc(ccc1O)Cl A14806 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.30 COc1cc(ccc1O)F B22211 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.30 COc1cc(ccc1O)O A12847 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.30 Cc1ccc(c(c1)CBr)F H26871 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.30 Cc1ccc(c(c1)CCl)C L01303 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.30 Cc1ccc(c(c1)CN)F H26652 [1,1,0,0,0,0|1,0,0]=3 508 B10R1.30 Cc1ccc(c(c1)CO)C L01624 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.30 Cc1ccc(c(c1)NN)C L12496 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.30 Cc1ccc(c(c1)OC)C B20456 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.30 Cc1ccc(c(c1)OC)F L18182 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.30 Cc1ccc(c(c1)OC)O A13603 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.30 Cc1ccc(cc1CBr)F H26853 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.30 Cc1ccc(cc1CCl)F H32355 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.30 Cc1ccc(cc1CN)F H26613 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.30 Cc1ccc(cc1CO)F H32648 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.30 Cc1ccc(cc1NN)F L09362 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.30 Cc1ccc(cc1OC)Br H30391 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.30 Cc1ccc(cc1OC)F B25629 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.30 Cc1ccc(cc1OC)N H50362 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.30 c1cc(c(cc1Br)CN)F B25176 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.30 c1cc(c(cc1Br)CO)O A12344 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.30 c1cc(c(cc1Cl)CBr)Cl L13775 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.30 c1cc(c(cc1Cl)CBr)F L19147 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.30 c1cc(c(cc1Cl)CCl)Cl L07506 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.30 c1cc(c(cc1Cl)CN)Cl L11972 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.30 c1cc(c(cc1Cl)CN)F L19145 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.30 c1cc(c(cc1Cl)CO)Cl L07734 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.30 c1cc(c(cc1Cl)CO)N H30531 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.30 c1cc(c(cc1Cl)CO)O H32533 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.30 c1cc(c(cc1Cl)C[Mg+])Cl H54707 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.30 c1cc(c(cc1Cl)NN)Cl A15279 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.30 c1cc(c(cc1Cl)NN)Cl L06708 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.30 c1cc(c(cc1F)CBr)Br L09553 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.30 c1cc(c(cc1F)CBr)Cl H61259 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.30 c1cc(c(cc1F)CBr)F B20752 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.30 c1cc(c(cc1F)CCl)F H26735 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.30 c1cc(c(cc1F)CN)Cl H26810 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.30 c1cc(c(cc1F)CN)F A16530 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.30 c1cc(c(cc1F)CO)Br H61596 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.30 c1cc(c(cc1F)CO)Cl B24431 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.30 c1cc(c(cc1F)CO)F A19932 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.30 c1cc(c(cc1F)C[Mg+])F H54749 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.30 c1cc(c(cc1F)C[Zn+])F H58867 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.30 c1cc(c(cc1F)NN)F B21259 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.30 c1cc(c(cc1F)NN)F L10359 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.30 c1cc(c(cc1O)C=O)Br H64884 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.30 c1cc(c(cc1O)C=O)O A15565 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.113 B(c1cccc(c1)O)(O)O L19061 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.113 CC(=O)c1cccc(c1)F A11733 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.113 CC(=O)c1cccc(c1)N A12503 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.113 CC(=O)c1cccc(c1)O A12547 [1,1,0,0,0,0|0,0,1]=3 555 B10R1.113 CC(C)c1cccc(c1)Br L17654 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.113 CC(c1cccc(c1)Cl)O L04783 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.113 CC(c1cccc(c1)F)O B23144 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.113 CC(c1cccc(c1)N)O L06513 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.113 CN(C)c1cccc(c1)Br L17279 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.113 CN(C)c1cccc(c1)Cl L08563 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.113 CN(C)c1cccc(c1)N L00403 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.113 CN(C)c1cccc(c1)O B23067 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.113 C[C@@H](c1cccc(c1)Br)N H26998 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.113 C[C@@H](c1cccc(c1)Cl)N H27637 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.113 C[C@H](c1cccc(c1)Br)N H27636 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.113 C[C@H](c1cccc(c1)Cl)N H27461 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [1,1,0,0,0,0|1,0,1]=4 570 B10R1.113 Cc1cccc(c1)C(=S)N H26468 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.113 Cc1cccc(c1)C(C)O H32784 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.113 Cc1cccc(c1)N(C)C A13326 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [1,1,0,0,0,0|1,0,1]=4 574 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.113 c1cc(cc(c1)Cl)C(=S)N H26423 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl B21973 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl L04121 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.113 c1cc(cc(c1)N)C(=S)N H51806 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.113 c1cc(cc(c1)N)C(F)F H34188 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.113 c1cc(cc(c1)O)C(=S)N H52236 [1,1,0,0,0,0|0,0,1]=3 584 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] A15312 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.172 CCc1cccc(c1)CC 43369 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.172 CNc1cccc(n1)OC L20048 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.172 COc1cccc(c1)C#C H55254 [1,1,0,0,0,0|0,0,2]=4 588 B10R1.172 COc1cccc(c1)C#N B24171 [1,1,0,0,0,0|0,0,2]=4 589 B10R1.172 COc1cccc(c1)C=O A13962 [1,1,0,0,0,0|1,0,1]=4 590 B10R1.172 COc1cccc(c1)CCl A12630 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.172 COc1cccc(c1)CN L02054 [1,1,0,0,0,0|0,0,0]=2 592 B10R1.172 COc1cccc(c1)CO A15471 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.172 COc1cccc(c1)C[Mg+] H54335 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.172 COc1cccc(c1)NN L08091 [1,1,0,0,0,0|1,0,0]=3 595 B10R1.172 COc1cccc(c1)OC A13380 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.172 COc1cccc(n1)OC B22746 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.172 COc1ccnc(c1)OC H63875 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.172 c1cc(cc(c1)C#N)CBr A15244 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.172 c1cc(cc(c1)C#N)CO H54212 [1,1,0,0,0,0|0,0,2]=4 600 B10R1.172 c1cc(cc(c1)CBr)CBr B24959 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.172 c1cc(cc(c1)CCl)CCl A11548 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.172 c1cc(cc(c1)CO)CO B23417 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.172 c1cc(nc(c1)CO)CO L02527 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.176 CCc1ccc(c(c1)O)O A12048 [1,1,0,0,0,0|0,0,0]=2 605 B10R1.176 CNc1ccc(c(c1)Cl)Cl L10631 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.176 COc1ccc(c(c1)Br)Cl A18660 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.176 COc1ccc(c(c1)Cl)Cl A17242 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.176 COc1ccc(c(c1)Cl)F B22425 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.176 COc1ccc(c(c1)Cl)O A16652 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.176 COc1ccc(c(c1)F)Br H27319 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.176 COc1ccc(c(c1)F)F A12474 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.176 COc1ccc(c(c1)F)N H32885 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.176 COc1ccc(c(c1)N)Cl L13490 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.176 COc1ccc(c(c1)N)Cl L20162 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.176 COc1ccc(c(c1)N)N A12363 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.176 COc1ccc(c(c1)N)N A15557 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.176 COc1ccc(c(c1)N)O H33724 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.176 Cc1cc(ccc1Br)OC A12318 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.176 Cc1cc(ccc1Cl)OC B23825 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.176 Cc1cc(ccc1F)CBr H26681 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.176 Cc1cc(ccc1F)CN H26598 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.176 Cc1cc(ccc1F)OC A18694 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.176 Cc1cc(ccc1N)OC L14910 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.176 Cc1cc(ccc1[Mg+])OC H54554 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.176 Cc1ccc(cc1C)CN H50280 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.176 Cc1ccc(cc1C)CO B24926 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.176 Cc1ccc(cc1C)NN A13027 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.176 Cc1ccc(cc1C)OC B22735 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.176 Cc1ccc(cc1Cl)CO 43819 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.176 Cc1ccc(cc1Cl)NN B22053 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.176 Cc1ccc(cc1Cl)OC H27401 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.176 Cc1ccc(cc1F)CBr H26349 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.176 Cc1ccc(cc1F)CN L19171 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.176 Cc1ccc(cc1F)CO L19170 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.176 Cc1ccc(cc1F)OC H32472 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.176 Cc1ccc(cc1N)OC H60177 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.176 c1cc(c(cc1C#N)O)O A14783 [1,1,0,0,0,0|0,0,2]=4 638 B10R1.176 c1cc(c(cc1C=O)O)O A11558 [1,1,0,0,0,0|1,0,1]=4 639 B10R1.176 c1cc(c(cc1CBr)Br)F H61399 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.176 c1cc(c(cc1CBr)Cl)Cl L05254 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.176 c1cc(c(cc1CBr)Cl)F L19146 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.176 c1cc(c(cc1CBr)F)Br H59275 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.176 c1cc(c(cc1CBr)F)Cl H26391 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.176 c1cc(c(cc1CBr)F)F A19965 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.176 c1cc(c(cc1CCl)Cl)Cl A17672 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.176 c1cc(c(cc1CCl)F)F B20367 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.176 c1cc(c(cc1CN)Br)F A19280 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.176 c1cc(c(cc1CN)Cl)Cl L04899 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.176 c1cc(c(cc1CN)Cl)F L12881 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.176 c1cc(c(cc1CN)F)Cl H26780 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.176 c1cc(c(cc1CN)F)F A18448 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.176 c1cc(c(cc1CN)O)O B21833 [1,1,0,0,0,0|0,0,0]=2 653 B10R1.176 c1cc(c(cc1CO)Br)F H30604 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.176 c1cc(c(cc1CO)Br)O H32461 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.176 c1cc(c(cc1CO)Cl)Cl A13236 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.176 c1cc(c(cc1CO)Cl)F B23080 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.176 c1cc(c(cc1CO)F)Br H59557 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.176 c1cc(c(cc1CO)F)F A18051 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.176 c1cc(c(cc1CO)O)Br H66253 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.176 c1cc(c(cc1CS)Cl)Cl L03226 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.176 c1cc(c(cc1C[Mg+])Cl)Cl H54133 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.176 c1cc(c(cc1C[Mg+])Cl)F H54242 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.176 c1cc(c(cc1C[Mg+])F)F H54312 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.176 c1cc(c(cc1C[Zn+])F)F H58167 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.176 c1cc(c(cc1NN)Cl)Cl A13906 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.176 c1cc(c(cc1NN)Cl)F A10175 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.176 c1cc(c(cc1NN)F)F H26186 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.1 CCCc1ccc(cc1)Br H26236 [1,1,0,0,0,0|1,0,0]=3 669 B10R1.1 CCCc1ccc(cc1)I L05767 [1,1,0,0,0,0|1,0,0]=3 670 B10R1.1 CCCc1ccc(cc1)N L03880 [1,1,0,0,0,0|1,0,0]=3 671 B10R1.1 CCCc1ccc(cc1)O A15342 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.1 CCOc1ccc(cc1)Br B21398 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.1 CCOc1ccc(cc1)I B21644 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.1 CCOc1ccc(cc1)N A10416 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.1 CCOc1ccc(cc1)O B20584 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.1 CCSc1ccc(cc1)Br L13718 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.1 CNCc1ccc(cc1)Br H54506 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.1 CNCc1ccc(cc1)Cl H63294 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.1 CNCc1ccc(cc1)F H54369 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.1 Cc1ccc(cc1)CC#N A12169 [1,1,0,0,0,0|0,0,2]=4 682 B10R1.1 Cc1ccc(cc1)CCO B20918 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.1 c1cc(ccc1CC#N)Br A10887 [1,1,0,0,0,0|0,0,2]=4 684 B10R1.1 c1cc(ccc1CC#N)Cl A15295 [1,1,0,0,0,0|0,0,2]=4 685 B10R1.1 c1cc(ccc1CC#N)F A14290 [1,1,0,0,0,0|0,0,2]=4 686 B10R1.1 c1cc(ccc1CC#N)I L15119 [1,1,0,0,0,0|0,0,2]=4 687 B10R1.1 c1cc(ccc1CC#N)N A11304 [1,1,0,0,0,0|0,0,2]=4 688 B10R1.1 c1cc(ccc1CC#N)O A10971 [1,1,0,0,0,0|0,0,2]=4 689 B10R1.1 c1cc(ccc1CCCl)F L16719 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.1 c1cc(ccc1CCN)Br H63706 [1,1,0,0,0,0|0,0,0]=2 691 B10R1.1 c1cc(ccc1CCN)Cl H63081 [1,1,0,0,0,0|0,0,0]=2 692 B10R1.1 c1cc(ccc1CCN)F H61791 [1,1,0,0,0,0|0,0,0]=2 693 B10R1.1 c1cc(ccc1CCN)N L15782 [1,1,0,0,0,0|0,0,0]=2 694 B10R1.1 c1cc(ccc1CCN)O A12220 [1,1,0,0,0,0|0,0,0]=2 695 B10R1.1 c1cc(ccc1CCO)Br A14143 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.1 c1cc(ccc1CCO)F L05618 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.1 c1cc(ccc1CCO)N L15223 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.1 c1cc(ccc1CCO)O A14891 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.4 C=CCc1ccccc1O A10755 [1,1,0,0,0,0|1,0,1]=4 700 B10R1.4 CCCc1ccccc1O A11088 [1,1,0,0,0,0|1,0,0]=3 701 B10R1.4 CCNc1ccccc1C A11315 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.4 CCOc1ccccc1O B24755 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.4 CNCc1ccccc1Br H63390 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.4 CNCc1ccccc1Cl H54680 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.4 CNCc1ccccc1F H54439 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.4 Cc1ccccc1CC#N A14787 [1,1,0,0,0,0|0,0,2]=4 707 B10R1.4 Cc1ccccc1CCN H28320 [1,1,0,0,0,0|0,0,0]=2 708 B10R1.4 Cc1ccccc1CNC H63956 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.4 c1ccc(c(c1)CC#N)Br A17548 [1,1,0,0,0,0|0,0,2]=4 710 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [1,1,0,0,0,0|0,0,2]=4 711 B10R1.4 c1ccc(c(c1)CC#N)F A11612 [1,1,0,0,0,0|0,0,2]=4 712 B10R1.4 c1ccc(c(c1)CC#N)I L12767 [1,1,0,0,0,0|0,0,2]=4 713 B10R1.4 c1ccc(c(c1)CC#N)N H66243 [1,1,0,0,0,0|0,0,2]=4 714 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [1,1,0,0,0,0|0,0,0]=2 715 B10R1.4 c1ccc(c(c1)CCO)F L19998 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [1,1,0,0,0,0|1,0,1]=4 717 B10R1.15 C#CC(c1ccccc1)O L09549 [1,1,0,0,0,0|1,0,1]=4 718 B10R1.15 CC(C#N)c1ccccc1 A13636 [1,1,0,0,0,0|0,0,2]=4 719 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,1,0,0,0,0|1,0,1]=4 720 B10R1.15 CC(CBr)c1ccccc1 L16267 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.15 CC(CN)c1ccccc1 H36338 [1,1,0,0,0,0|0,0,0]=2 722 B10R1.15 CC(CO)c1ccccc1 B23473 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.15 CCC(C)c1ccccc1 B22962 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.15 CCC(c1ccccc1)O A10830 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,1,0,0,0,0|1,0,0]=3 728 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [1,1,0,0,0,0|1,0,0]=3 731 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,1,0,0,0,0|1,0,1]=4 733 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,1,0,0,0,0|1,0,1]=4 734 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,1,0,0,0,0|0,0,1]=3 735 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,1,0,0,0,0|1,0,1]=4 736 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,1,0,0,0,0|1,0,1]=4 737 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [1,1,0,0,0,0|0,0,2]=4 738 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [1,1,0,0,0,0|1,0,0]=3 739 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,1,0,0,0,0|0,0,0]=2 741 B10R1.15 c1ccc(cc1)C(CO)O L04551 [1,1,0,0,0,0|1,0,0]=3 742 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [1,1,0,0,0,0|0,0,2]=4 743 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,1,0,0,0,0|0,0,0]=2 744 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [1,1,0,0,0,0|1,0,0]=3 745 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [1,1,0,0,0,0|1,0,0]=3 746 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [1,1,0,0,0,0|0,0,2]=4 747 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,1,0,0,0,0|0,0,0]=2 748 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [1,1,0,0,0,0|1,0,0]=3 749 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [1,1,0,0,0,0|1,0,0]=3 750 B10R1.17 C#CCCc1ccccc1 L12946 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.17 C#CCOc1ccccc1 43923 [1,1,0,0,0,0|1,0,1]=4 752 B10R1.17 C#CCOc1ccccc1 A18272 [1,1,0,0,0,0|1,0,1]=4 753 B10R1.17 C=CCNc1ccccc1 H55821 [1,1,0,0,0,0|1,0,1]=4 754 B10R1.17 C=CCOc1ccccc1 L03359 [1,1,0,0,0,0|1,0,1]=4 755 B10R1.17 C=CCSc1ccccc1 L04771 [1,1,0,0,0,0|1,0,1]=4 756 B10R1.17 CCC#Cc1ccccc1 A11332 [1,1,0,0,0,0|1,0,1]=4 757 B10R1.17 CCCC[n+]1ccccc1 19740 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.17 CCCC[n+]1ccccc1 H26995 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.17 CCCCc1ccccc1 A10910 [1,1,0,0,0,0|1,0,0]=3 760 B10R1.17 CCNCc1ccccc1 L05651 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.17 CCNCc1cccnc1 H51120 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.17 CCNCc1ccncc1 L13714 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.17 CNCCc1ccccn1 H50190 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.17 c1ccc(cc1)C#CCCl H53510 [1,1,0,0,0,0|1,0,1]=4 765 B10R1.17 c1ccc(cc1)C#CCO 43778 [1,1,0,0,0,0|1,0,1]=4 766 B10R1.17 c1ccc(cc1)C#CCO L06337 [1,1,0,0,0,0|1,0,1]=4 767 B10R1.17 c1ccc(cc1)CCC#N L06483 [1,1,0,0,0,0|0,0,1]=3 768 B10R1.17 c1ccc(cc1)CCC=O A10367 [1,1,0,0,0,0|1,0,0]=3 769 B10R1.17 c1ccc(cc1)CCCBr A14050 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.17 c1ccc(cc1)CCCCl B20445 [1,1,0,0,0,0|1,0,0]=3 771 B10R1.17 c1ccc(cc1)CCCI H53420 [1,1,0,0,0,0|1,0,0]=3 772 B10R1.17 c1ccc(cc1)CCCN L03023 [1,1,0,0,0,0|0,0,0]=2 773 B10R1.17 c1ccc(cc1)CCCO A13022 [1,1,0,0,0,0|1,0,0]=3 774 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [1,1,0,0,0,0|1,0,0]=3 775 B10R1.17 c1ccc(cc1)CN=C=O L02633 [1,1,0,0,0,0|1,0,1]=4 776 B10R1.17 c1ccc(cc1)CN=C=S A15008 [1,1,0,0,0,0|1,0,1]=4 777 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] 32635 [1,1,0,0,0,0|1,0,1]=4 778 B10R1.17 c1ccc(cc1)CNC=O B23722 [1,1,0,0,0,0|1,0,1]=4 779 B10R1.17 c1ccc(cc1)COC=O L13405 [1,1,0,0,0,0|1,0,1]=4 780 B10R1.17 c1ccc(cc1)COCCl H60207 [1,1,0,0,0,0|1,0,0]=3 781 B10R1.17 c1ccc(cc1)CSC#N B23902 [1,1,0,0,0,0|0,0,2]=4 782 B10R1.17 c1ccc(cc1)NCCN L03786 [1,1,0,0,0,0|0,0,0]=2 783 B10R1.17 c1ccc(cc1)NCCO B22131 [1,1,0,0,0,0|1,0,0]=3 784 B10R1.17 c1ccc(cc1)OCC#N A11981 [1,1,0,0,0,0|0,0,2]=4 785 B10R1.17 c1ccc(cc1)OCCBr B21087 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.17 c1ccc(cc1)OCCCl L11345 [1,1,0,0,0,0|1,0,0]=3 787 B10R1.17 c1ccc(cc1)OCCN A12225 [1,1,0,0,0,0|0,0,0]=2 788 B10R1.17 c1ccc(cc1)OCCO A10786 [1,1,0,0,0,0|1,0,0]=3 789 B10R1.17 c1ccc(cc1)SCC#N A12869 [1,1,0,0,0,0|0,0,2]=4 790 B10R1.17 c1ccc(cc1)SCCBr L11005 [1,1,0,0,0,0|1,0,0]=3 791 B10R1.17 c1ccc(cc1)SCCCl B23265 [1,1,0,0,0,0|1,0,0]=3 792 B10R1.17 c1ccc(cc1)SCCO A10861 [1,1,0,0,0,0|1,0,0]=3 793 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [1,1,0,0,0,0|1,0,1]=4 794 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [1,1,0,0,0,0|1,0,1]=4 795 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.18 CC(=C)Cc1ccccc1 B20370 [1,1,0,0,0,0|1,0,1]=4 797 B10R1.18 CC(C)Cc1ccccn1 B22349 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.18 CC(C)Cc1cccnc1 B22080 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.18 CC(C)Nc1ccccc1 L10646 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.18 CC(C)Sc1ccccc1 A17124 [1,1,0,0,0,0|2,0,0]=4 801 B10R1.18 CN(C)Cc1ccccc1 A12191 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [1,1,0,0,0,0|1,1,0]=4 803 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [1,1,0,0,0,0|1,0,1]=4 804 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [1,1,0,0,0,0|1,0,1]=4 805 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [1,1,0,0,0,0|1,0,1]=4 806 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [1,1,0,0,0,0|0,0,1]=3 807 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [1,1,0,0,0,0|1,0,1]=4 808 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [1,1,0,0,0,0|0,0,1]=3 809 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [1,1,0,0,0,0|1,0,1]=4 810 B10R1.18 c1ccc(cc1)NC(=S)N L06690 [1,1,0,0,0,0|1,0,1]=4 811 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [1,1,0,0,0,0|1,0,1]=4 812 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [1,1,0,0,0,0|1,0,1]=4 813 B10R1.18 c1ccnc(c1)CC(=S)N H58993 [1,1,0,0,0,0|1,0,1]=4 814 B10R1.18 c1cnccc1CC(=O)N B24734 [1,1,0,0,0,0|1,0,1]=4 815 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=S)N H34058 [0,2,0,0,0,0|1,0,1]=4 816 B12R1.497 CCOc1c(ccc(c1F)O)F H32360 [0,2,0,0,0,0|2,0,0]=4 817 B12R1.544 CCOc1ccc(c(c1F)O)F H31776 [0,2,0,0,0,0|2,0,0]=4 818 B12R1.544 c1cc(c(c(c1CCO)F)F)F H32227 [0,2,0,0,0,0|2,0,0]=4 819 B12R1.17 CCOC(=O)c1cccc(c1)O A15343 [0,2,0,0,0,0|1,0,1]=4 820 B12R1.354 CCC(=O)c1cc(ccc1O)O A12912 [0,2,0,0,0,0|1,0,1]=4 821 B12R1.358 CCC(c1cc(cc(c1)F)F)O H32058 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.358 c1c(cc(cc1O)O)C(=O)NN L11471 [0,2,0,0,0,0|1,0,1]=4 823 B12R1.367 CCC(=O)c1ccc(c(c1)O)O A13444 [0,2,0,0,0,0|1,0,1]=4 824 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O B23496 [0,2,0,0,0,0|1,0,1]=4 825 B12R1.367 c1cc(c(cc1C(=O)NN)O)O B21746 [0,2,0,0,0,0|1,0,1]=4 826 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O L08087 [0,2,0,0,0,0|0,0,0]=2 827 B12R1.435 COc1cccc(c1)C(=O)CBr A10716 [0,2,0,0,0,0|1,0,1]=4 828 B12R1.435 COc1cccc(c1)C(=O)NN B20956 [0,2,0,0,0,0|1,0,1]=4 829 B12R1.28 CCCNCc1cccc(c1)F H56794 [0,2,0,0,0,0|2,0,0]=4 830 B12R1.50 Cc1cccc(c1)C\C(=N\O)\N H66784 [0,2,0,0,0,0|1,0,1]=4 831 B12R1.100 Cc1cc(cc(c1)OCCBr)C H52397 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.226 CC(C)NCc1cccc(c1)F H56383 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.226 Cc1cccc(c1)CCC(=O)O H34395 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O L18080 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O H33266 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.226 c1cc(cc(c1)F)CCC(=O)O H27847 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.226 c1cc(cc(c1)N)CCC(=O)O L19329 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.226 c1cc(cc(c1)O)CCC(=O)O L01279 [0,2,0,0,0,0|1,0,0]=3 839 B12R1.382 CCCOc1cccc(c1)C=O H33115 [0,2,0,0,0,0|1,0,1]=4 840 B12R1.44 CCCc1cc(c(c(c1)Br)N)Br B24802 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.44 c1c(cc(c(c1F)F)F)CCO H32800 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.19 c1cc(c(cc1CC(=O)O)O)O A15893 [0,2,0,0,0,0|1,0,1]=4 843 B12R1.119 c1cc(cc(c1)OC(F)(F)F)O B20196 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.127 c1cc(c(cc1O)CC(=O)O)O H60742 [0,2,0,0,0,0|1,0,1]=4 845 B12R1.438 CC(=O)Cc1cccc(c1)OC B20916 [0,2,0,0,0,0|1,0,1]=4 846 B12R1.438 CN(C)Cc1cccc(c1)OC H55260 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.438 COc1cccc(c1)CC(=O)O A10951 [0,2,0,0,0,0|1,0,1]=4 848 B12R1.438 COc1cccc(c1)CC(=S)N H31615 [0,2,0,0,0,0|0,0,1]=3 849 B12R1.438 c1cc(cc(c1)OC(F)F)CO H50345 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.268 COc1ccc(cc1CCN)Br L19875 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.1123 c1c(c(cc(c1F)F)F)CCO H32686 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.278 CCOc1cccc(c1)OCC A11338 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.279 B(c1cccc(c1)CC#N)(O)O H53337 [0,2,0,0,0,0|0,0,2]=4 854 B12R1.279 B(c1cccc(c1)CCO)(O)O H52974 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.279 B(c1cccc(c1)OCC)(O)O B24485 [0,2,0,0,0,0|2,0,0]=4 856 B12R1.279 CCOc1cccc(c1)C(=O)O L05721 [0,2,0,0,0,0|2,0,0]=4 857 B12R1.286 COc1cc(ccc1O)CC=C A14332 [0,2,0,0,0,0|1,0,1]=4 858 B12R1.288 COc1ccc(cc1Br)CCN L19874 [0,2,0,0,0,0|1,0,0]=3 859 B10R1.11 CCCC(=O)c1ccco1 H26287 [0,0,1,1,0,0|2,0,0]=4 860 B10R2.6 c1ccc(cc1)C2CO2 L07821 [1,0,0,1,0,0|1,0,0]=3 861 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [1,0,0,1,0,0|1,0,0]=3 862 B10R2.7 c1cc2c(nc1)CCC2 H25896 [1,0,0,1,0,0|2,0,0]=4 863 B10R2.7 c1cc2c(nc1)NCC2 H64551 [1,0,0,1,0,0|1,0,0]=3 864 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,1,0,0|1,0,1]=4 865 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,1,0,0|1,0,1]=4 866 B10R2.7 c1ccc2c(c1)CCC2 B21442 [1,0,0,1,0,0|1,0,0]=3 867 B10R2.7 c1ccc2c(c1)CCN2 A11000 [1,0,0,1,0,0|0,0,0]=2 868 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,1,0,0|1,0,0]=3 869 B10R2.7 c1ccc2c(c1)CNC2 H63012 [1,0,0,1,0,0|2,0,0]=4 870 B10R2.7 c1ccc2c(c1)COC2 45592 [1,0,0,1,0,0|2,0,0]=4 871 B10R2.7 c1ccc2c(c1)COC2 A10217 [1,0,0,1,0,0|2,0,0]=4 872 B10R2.7 c1ccc2c(c1)OCO2 A14192 [1,0,0,1,0,0|2,0,0]=4 873 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [1,0,0,1,0,0|1,0,1]=4 874 B10R2.7 c1ccc2c(c1)[nH]nn2 A15423 [1,0,0,1,0,0|2,0,0]=4 875 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,1,0,0|0,0,2]=4 876 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,1,0,0|1,0,1]=4 877 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 H61511 [0,1,0,1,0,0|1,0,1]=4 878 B12R2.202 c1cc2c(c(c1)I)NC(=O)C2 H52337 [0,1,0,1,0,0|1,0,1]=4 879 B12R2.1081 c1cc2c(c(c1)Br)OCCO2 H27709 [0,1,0,1,0,0|2,0,0]=4 880 B12R2.1081 c1cc2c(c(c1)O)CCCC2 L02416 [0,1,0,1,0,0|1,0,0]=3 881 B12R2.196 c1cc2c(c(c1)O)CCC2=O H56184 [0,1,0,1,0,0|1,0,1]=4 882 B12R2.24 Cc1ccc2c(c1)CCCN2 A15245 [0,1,0,1,0,0|1,0,0]=3 883 B12R2.24 c1cc2c(cc1Br)CCNC2 H63527 [0,1,0,1,0,0|1,0,0]=3 884 B12R2.24 c1cc2c(cc1Br)CNCC2 B25712 [0,1,0,1,0,0|2,0,0]=4 885 B12R2.24 c1cc2c(cc1Br)CNCC2 H63278 [0,1,0,1,0,0|2,0,0]=4 886 B12R2.24 c1cc2c(cc1Br)NCCO2 H61070 [0,1,0,1,0,0|2,0,0]=4 887 B12R2.24 c1cc2c(cc1Br)NCCO2 H62297 [0,1,0,1,0,0|2,0,0]=4 888 B12R2.24 c1cc2c(cc1Br)NCCS2 H61089 [0,1,0,1,0,0|2,0,0]=4 889 B12R2.24 c1cc2c(cc1Br)OCCN2 H61071 [0,1,0,1,0,0|1,0,0]=3 890 B12R2.24 c1cc2c(cc1Br)OCCO2 B25625 [0,1,0,1,0,0|2,0,0]=4 891 B12R2.24 c1cc2c(cc1Br)SCCN2 H61021 [0,1,0,1,0,0|1,0,0]=3 892 B12R2.24 c1cc2c(cc1Cl)CCNC2 H63786 [0,1,0,1,0,0|1,0,0]=3 893 B12R2.24 c1cc2c(cc1Cl)CNCC2 H63456 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.24 c1cc2c(cc1Cl)CNCC2 H63693 [0,1,0,1,0,0|2,0,0]=4 895 B12R2.24 c1cc2c(cc1F)CCCN2 H35364 [0,1,0,1,0,0|1,0,0]=3 896 B12R2.24 c1cc2c(cc1I)OCCO2 B20127 [0,1,0,1,0,0|2,0,0]=4 897 B12R2.24 c1cc2c(cc1N)CCNC2 H66983 [0,1,0,1,0,0|1,0,0]=3 898 B12R2.24 c1cc2c(cc1N)OCCO2 L01421 [0,1,0,1,0,0|2,0,0]=4 899 B12R2.24 c1cc2c(cc1O)CCCC2 L10164 [0,1,0,1,0,0|1,0,0]=3 900 B12R2.24 c1cc2c(cc1O)CCNC2 H64512 [0,1,0,1,0,0|0,0,0]=2 901 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 H66850 [0,1,0,1,0,0|1,0,0]=3 902 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,1,0,1,0,0|2,0,0]=4 903 B12R2.612 c1cc2c(cc1Br)CCC2=O B25707 [0,1,0,1,0,0|2,0,0]=4 904 B12R2.612 c1cc2c(cc1Cl)CCC2=O A18308 [0,1,0,1,0,0|2,0,0]=4 905 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [0,1,0,1,0,0|2,0,0]=4 906 B12R2.612 c1cc2c(cc1N)CCC2=O H66425 [0,1,0,1,0,0|2,0,0]=4 907 B12R2.612 c1cc2c(cc1O)OCC2=O L10951 [0,1,0,1,0,0|1,0,1]=4 908 B12R2.606 Cc1cc2cc(ccc2[nH]1)O H35580 [0,1,0,1,0,0|0,0,2]=4 909 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 H50573 [0,1,0,1,0,0|1,0,1]=4 910 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 A19210 [0,1,0,1,0,0|1,0,1]=4 911 B12R2.606 c1cc2c(cc1F)CC(=O)N2 H32176 [0,1,0,1,0,0|1,0,1]=4 912 B12R2.221 Cc1ccc(c2c1CCC2)O B20343 [0,1,0,1,0,0|1,0,0]=3 913 B12R2.44 COc1ccc2c(c1)cc[nH]2 B25290 [0,1,0,1,0,0|0,0,2]=4 914 B12R2.44 COc1ccc2c(c1)nc[nH]2 B24313 [0,1,0,1,0,0|1,0,1]=4 915 B12R2.44 c1cc2c(cc1C=O)CCO2 H59602 [0,1,0,1,0,0|1,0,1]=4 916 B12R2.44 c1cc2c(cc1CO)OCO2 A12661 [0,1,0,1,0,0|2,0,0]=4 917 B12R2.315 COc1cccc2c1[nH]cc2 H63767 [0,1,0,1,0,0|0,0,2]=4 918 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O H66709 [0,1,0,1,0,0|0,0,2]=4 919 B8R1.1 CCc1ccc(s1)C B22640 [1,0,0,0,1,0|2,0,0]=4 920 B8R1.11 Cc1ccsc1CN L18094 [1,0,0,0,1,0|2,0,0]=4 921 B8R1.11 c1csc(c1CN)Br H66245 [1,0,0,0,1,0|2,0,0]=4 922 B8R1.8 CCCc1ccco1 B21703 [1,0,0,0,1,0|2,0,0]=4 923 B8R1.8 CCCc1cccs1 L03052 [1,0,0,0,1,0|2,0,0]=4 924 B8R1.8 c1c(nc[nH]1)CCN L09198 [1,0,0,0,1,0|2,0,0]=4 925 B8R1.8 c1cc(sc1)CCN A10920 [1,0,0,0,1,0|1,0,0]=3 926 B8R1.8 c1cc(sc1)CCO B21562 [1,0,0,0,1,0|2,0,0]=4 927 B8R1.8 c1cscc1CCO L15138 [1,0,0,0,1,0|2,0,0]=4