0 B10R1.176 CCc1ccc(c(c1)O)O A12048 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.176 COc1ccc(c(n1)N)N H26472 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.176 Cc1c(ccc(n1)C#N)N H66325 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.176 Cc1c(ccc(n1)OC)Br H61962 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.176 Cc1cc(ccc1Br)OC A12318 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.176 Cc1cc(ccc1Cl)OC B23825 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.176 Cc1cc(ccc1F)CBr H26681 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.176 Cc1cc(ccc1F)CN H26598 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.176 Cc1cc(ccc1F)OC A18694 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.176 Cc1cc(ccc1N)OC L14910 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.176 Cc1cc(ccc1[Mg+])OC H54554 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.176 Cc1ccc(cc1C)C#N A14379 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.176 Cc1ccc(cc1C)C=O A15388 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.176 Cc1ccc(cc1C)CN H50280 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.176 Cc1ccc(cc1C)CO B24926 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.176 Cc1ccc(cc1C)NN A13027 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.176 Cc1ccc(cc1C)OC B22735 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.176 Cc1ccc(cc1Cl)CO 43819 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.176 Cc1ccc(cc1Cl)OC H27401 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.176 Cc1ccc(cc1F)CBr H26349 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.176 Cc1ccc(cc1F)CN L19171 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.176 Cc1ccc(cc1F)CO L19170 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.176 Cc1ccc(cc1F)OC H32472 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.176 Cc1ccc(cc1N)OC H60177 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.1 CCc1ccc(cc1)Br A13013 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.1 CCc1ccc(cc1)C L02120 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.1 CCc1ccc(cc1)Cl L07931 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 CCc1ccc(cc1)F L05940 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 CCc1ccc(cc1)I A14138 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.1 CCc1ccc(cc1)N B24652 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.1 CCc1ccc(cc1)O B23433 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 CCc1ccc(cc1)S B25026 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 CCc1ccc(nc1)C L06901 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.1 CCc1cnc(nc1)Cl H26856 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 COc1ccc(cn1)Br L20017 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.1 COc1ccc(cn1)Cl H59376 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.1 COc1ccc(cn1)F H30991 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.1 COc1ccc(cn1)I H50135 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.1 COc1ccc(cn1)N H27528 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.1 CSc1ccc(cn1)Br H27596 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.1 Cc1ccc(cc1)CBr A13297 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.1 Cc1ccc(cc1)CCl A17183 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.1 Cc1ccc(cc1)CN A13768 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.1 Cc1ccc(cc1)CO A15315 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 Cc1ccc(cc1)CS A10467 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.1 Cc1ccc(cc1)C[Mg+] H54505 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 Cc1ccc(cc1)OC A11572 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 Cc1ccc(cc1)SC L02933 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.1 Cc1ccc(cn1)C#N L09875 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.1 Cc1ccc(cn1)C=O H66926 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 Cc1ccc(nc1)C#N H64539 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 c1cc(ncc1CCl)Cl L19284 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.1 c1cc(ncc1CN)Cl L19283 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.1 c1cc(ncc1CO)Br H61375 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.1 c1cc(ncc1CO)Cl L19285 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 c1cc(ncc1CO)N H33416 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.2 CCc1cccc(c1)Br A12258 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.2 CCc1cccc(c1)C L18788 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.2 CCc1cccc(c1)O B23470 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.2 CCc1cccc(n1)N A19146 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.2 COc1cc(cnc1)Br H27728 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.2 COc1cccc(n1)Br H30593 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.2 COc1cccc(n1)Cl L05997 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.2 COc1cccc(n1)F H32994 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.2 COc1cccc(n1)N H66436 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.2 COc1cncc(n1)N H61990 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.2 Cc1cc(cnc1)C#N L17427 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.2 Cc1cccc(c1)CBr B24731 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.2 Cc1cccc(c1)CCl A10784 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.2 Cc1cccc(c1)CN L04922 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.2 Cc1cccc(c1)CO B20875 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.2 Cc1cccc(c1)CS L12043 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.2 Cc1cccc(c1)C[Mg+] H54617 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.2 Cc1cccc(c1)OC B21455 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.2 Cc1cccc(n1)C#N H64148 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.2 Cc1cccc(n1)C=O H26841 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.2 Cc1cccc(n1)CBr H55438 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.2 Cc1cccc(n1)CO H26794 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.2 Cc1cccc(n1)OC H25772 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.2 Cc1ccnc(n1)SC H28795 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.2 c1c(cncc1Br)CCl H66131 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.2 c1c(cncc1Br)CO H52339 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.2 c1cc(nc(c1)Br)CO H56123 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.2 c1cc(nc(c1)N)CO H33485 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.69 Cc1c(cc(cn1)Br)N H54665 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.69 Cc1c(ccc(n1)Br)Br H27399 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.69 Cc1c(ccc(n1)Br)N H64756 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.69 Cc1c(ccc(n1)Cl)Br H64333 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.69 Cc1c(ccc(n1)Cl)F H64347 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.69 Cc1c(ccc(n1)Cl)I H27656 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.69 Cc1c(ccc(n1)Cl)N H61465 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.69 Cc1c(ccc(n1)N)Br A12948 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.69 Cc1c(ccc(n1)N)Cl H58501 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.69 Cc1c(ccc(n1)N)F H64700 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.69 Cc1c(ccc(n1)N)I H27265 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.69 Cc1c(ccc(n1)O)Br H59227 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.69 Cc1c(ccc(n1)O)I H27381 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.69 Cc1c(nnc(n1)N)C A15993 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.69 Cc1cc(c(nc1)Br)Br H56438 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.69 Cc1cc(c(nc1)Br)F H61954 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.69 Cc1cc(c(nc1)Br)I H27362 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.69 Cc1cc(c(nc1)Br)N H31613 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.69 Cc1cc(c(nc1)C)C B23537 [1,0,0,0,0,0|1,0,0]=2 105 B9R1.69 Cc1cc(c(nc1)Cl)F H61972 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.69 Cc1cc(c(nc1)F)Br H61104 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.69 Cc1cc(c(nc1)N)Br A14090 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.69 Cc1cc(c(nc1)N)F H64583 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.69 Cc1cc(c(nc1)N)I H27787 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.69 Cc1cc(c(nc1)O)Br L19849 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.69 Cc1cc(c(nc1)O)I H27751 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.69 Cc1cc(cnc1Br)Br H27142 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.69 Cc1cc(cnc1Br)F H33953 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.69 Cc1cc(cnc1Br)I H27035 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.69 Cc1cc(cnc1Br)N H66134 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.69 Cc1cc(cnc1Br)O H64567 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.69 Cc1cc(cnc1Cl)Br H64109 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.69 Cc1cc(cnc1Cl)F H61447 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.69 Cc1cc(cnc1Cl)O H64986 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.69 Cc1cc(cnc1F)Br H26131 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.69 Cc1cc(cnc1F)N H64854 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.69 Cc1cc(cnc1N)Br A15318 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.69 Cc1cc(cnc1N)I H27510 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.69 Cc1cc(cnc1O)Br H64253 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.69 Cc1ccc(c(c1)Br)C A14358 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.69 Cc1ccc(c(c1)C)Br A10212 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.69 Cc1ccc(c(c1)C)C 12411 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.69 Cc1ccc(c(c1)C)Cl B21275 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.69 Cc1ccc(c(c1)C)I A16878 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.69 Cc1ccc(c(c1)C)N L02744 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.69 Cc1ccc(c(c1)C)O A11966 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.69 Cc1ccc(c(c1)C)S B23161 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.69 Cc1ccc(c(c1)C)[Mg+] H54134 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.69 Cc1ccc(c(c1)C)[Zn+] H58149 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.69 Cc1ccc(c(c1)I)C L01055 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.69 Cc1ccc(c(c1)N)C A12682 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.69 Cc1ccc(c(c1)O)C A17755 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.69 Cc1ccc(c(c1)S)C B24164 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.69 Cc1ccc(c(c1)[Mg+])C H54073 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.69 Cc1ccc(c(c1)[Zn+])C H58646 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.69 Cc1ccc(c(n1)Br)F H64900 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.69 Cc1ccc(c(n1)Br)N H64301 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.69 Cc1ccc(c(n1)C)N L19842 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.69 Cc1ccc(c(n1)Cl)Br H64153 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.69 Cc1ccc(c(n1)Cl)F H64473 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.69 Cc1ccc(c(n1)Cl)N H64125 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.69 Cc1ccc(c(n1)F)F H64514 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.69 Cc1ccc(c(n1)N)Br H66162 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.69 Cc1ccc(cc1C)Br A14736 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.69 Cc1ccc(cc1C)Cl A19032 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.69 Cc1ccc(cc1C)F A18253 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.69 Cc1ccc(cc1C)I A13232 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.69 Cc1ccc(cc1C)N A16928 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.69 Cc1ccc(cc1C)O A10599 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.69 Cc1ccc(cc1C)S B23168 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.69 Cc1ccc(cc1C)[Mg+] H54346 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.69 Cc1ccc(cc1C)[Zn+] H58165 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.69 Cc1ccc(nc1Cl)Cl H61271 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.69 Cc1cnc(c(n1)C)C A14870 [1,0,0,0,0,0|0,0,0]=1 160 B9R1.69 c1c(nc(c(n1)Br)N)Br H59185 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.69 c1c(nc(c(n1)N)Br)Br H28744 [1,0,0,0,0,0|3,0,0]=4 162 B11R1.21 Cc1ccc(cc1C)C(=O)C A12187 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.279 Cc1cc(ccc1OC)CO H50344 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.279 Cc1cc(ccc1OC)OC B21631 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.280 CCc1ccc(c(c1)OC)O A14239 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.280 COc1ccc(c(n1)OC)Br H27564 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.280 Cc1cnc(nc1OC)OC H51088 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.23 CCC1N=C(C(S1)C)C H26960 [0,0,0,0,1,0|1,0,2]=4 169 B9R1.23 CCc1nc(c(o1)C)C H27470 [0,0,0,0,1,0|1,0,0]=2 170 B9R1.23 Cc1cc(oc1C)C=O L19314 [0,0,0,0,1,0|2,0,1]=4 171 B9R1.23 Cc1cc(sc1C)C=O H27712 [0,0,0,0,1,0|2,0,1]=4 172 B9R1.132 CCn1cc[n+](c1C)C H59225 [0,0,0,0,1,0|3,0,0]=4 173 B9R1.132 CCn1cc[n+](c1C)C H59541 [0,0,0,0,1,0|3,0,0]=4 174 B9R1.132 CCn1cc[n+](c1C)C H59726 [0,0,0,0,1,0|3,0,0]=4 175 B9R1.132 CCn1cc[n+](c1C)C H60228 [0,0,0,0,1,0|3,0,0]=4 176 B8R1.2 C=Cc1cnccn1 A14007 [2,0,0,0,0,0|0,0,2]=4 177 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.2 CCc1ccccn1 A17352 [2,0,0,0,0,0|1,0,0]=3 179 B8R1.2 CCc1cccnc1 B20318 [2,0,0,0,0,0|1,0,0]=3 180 B8R1.2 CCc1cnccn1 A12759 [2,0,0,0,0,0|0,0,0]=2 181 B8R1.2 CNc1ccccn1 B23589 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.2 CNc1cccnc1 H63602 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.2 COc1ccccn1 A13675 [2,0,0,0,0,0|2,0,0]=4 184 B8R1.2 COc1cnccn1 A10297 [2,0,0,0,0,0|1,0,0]=3 185 B8R1.2 CSc1cnccn1 B25279 [2,0,0,0,0,0|1,0,0]=3 186 B8R1.2 c1cc(cnc1)CCl A13279 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.2 c1cc(cnc1)CN B23634 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 c1cc(cnc1)CO A10381 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 c1ccnc(c1)CCl A10226 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.2 c1ccnc(c1)CN B23208 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.2 c1ccnc(c1)CO A15005 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.2 c1cnc(cn1)C#N A10974 [2,0,0,0,0,0|1,0,1]=4 193 B8R1.2 c1cnc(cn1)NN H64086 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.3 Cc1ccc(cc1)C A10534 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.3 Cc1ccc(cn1)Br H27085 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.3 Cc1ccc(cn1)N H27431 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.3 Cc1ccc(cn1)O B25014 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.3 Cc1ccc(cn1)[Zn+] H58043 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.3 Cc1ccc(nc1)Br B25083 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.3 Cc1ccc(nc1)Cl H59145 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.3 Cc1ccc(nc1)F L12241 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.3 Cc1ccc(nc1)N A13330 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.3 Cc1ccc(nc1)O L19528 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.3 Cc1ccc(nc1)[Zn+] H58645 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.3 Cc1cnc(cn1)C A12352 [2,0,0,0,0,0|0,0,0]=2 206 B8R1.3 Cc1cnc(cn1)N H61286 [2,0,0,0,0,0|1,0,0]=3 207 B8R1.3 c1c(ncc(n1)Br)N H27465 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.3 c1c(ncc(n1)Cl)N H66509 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.4 Cc1cc(cnc1)Br H30137 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.4 Cc1cc(cnc1)C A14877 [2,0,0,0,0,0|1,0,0]=3 211 B8R1.4 Cc1cc(cnc1)O H32658 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.4 Cc1cccc(c1)C L03788 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.4 Cc1cccc(n1)Br L20018 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.4 Cc1cccc(n1)C A10478 [2,0,0,0,0,0|1,0,0]=3 215 B8R1.4 Cc1cccc(n1)Cl B20174 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.4 Cc1cccc(n1)F L01561 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.4 Cc1cccc(n1)N A10444 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.4 Cc1cccc(n1)O A14764 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.4 Cc1cccc(n1)[Zn+] H58354 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.4 Cc1cncc(n1)C B24687 [2,0,0,0,0,0|0,0,0]=2 221 B8R1.4 Cc1cncc(n1)Cl H63650 [2,0,0,0,0,0|1,0,0]=3 222 B8R1.4 Cc1cncc(n1)N H63436 [2,0,0,0,0,0|1,0,0]=3 223 B8R1.4 c1c(nc(cn1)Br)Br H61468 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.4 c1c(nc(cn1)Cl)Cl A11175 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.4 c1c(nc(cn1)Cl)N H61934 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.5 Cc1c(cccn1)Br H27271 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.5 Cc1c(cccn1)F H64705 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.5 Cc1c(cccn1)N H27540 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.5 Cc1c(cccn1)O B24944 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.5 Cc1c(nccn1)C A12628 [2,0,0,0,0,0|0,0,0]=2 231 B8R1.5 Cc1c(nccn1)Cl H61651 [2,0,0,0,0,0|1,0,0]=3 232 B8R1.5 Cc1c(nccn1)N H61255 [2,0,0,0,0,0|1,0,0]=3 233 B8R1.5 Cc1c(nccn1)O H51880 [2,0,0,0,0,0|1,0,0]=3 234 B8R1.5 Cc1ccccc1C 22902 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.5 Cc1ccccc1C 32471 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.5 Cc1ccccc1C A11358 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.5 Cc1cccnc1Br L19522 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.5 Cc1cccnc1C L03697 [2,0,0,0,0,0|1,0,0]=3 239 B8R1.5 Cc1cccnc1Cl L19861 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.5 Cc1cccnc1F L10701 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.5 Cc1cccnc1I L20047 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.5 Cc1cccnc1N A10224 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.5 c1cnc(c(n1)Cl)Cl L11500 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.5 c1cnc(c(n1)N)Cl H27215 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.1 CCOc1ccc(cn1)Br H27197 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.1 CCOc1ccc(cn1)I H50156 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.1 Cc1ccc(cc1)CCO B20918 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.3 CCc1ccc(cc1)CC A13343 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.3 CCc1ccc(cc1)CCl H27900 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.3 CCc1ccc(cc1)CO H30459 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.3 CCc1ccc(cc1)OC A10391 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.13 Cc1cnc(cn1)C(=O)O A14011 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.25 CCc1c(nc(cn1)C)C H27383 [1,1,0,0,0,0|0,0,0]=2 259 B10R1.25 CCc1ccc(nc1N)C A19048 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.2 CCc1cccc(c1I)C A10839 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.2 CCc1cccc(c1N)C A12796 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.2 CCc1cccc(c1O)C B25213 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.10 CCOc1cccc(n1)Cl B24984 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.10 Cc1cccc(c1)CNC H63231 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.30 Cc1ccc(c(n1)OC)F H64683 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.30 Cc1ccc(c(n1)OC)N H61310 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.113 Cc1cccc(c1)C(C)O H32784 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.113 Cc1cccc(n1)C(=O)C H65997 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.172 CCc1cccc(c1)CC 43369 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.172 CNc1cccc(n1)OC L20048 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.172 COc1cccc(n1)OC B22746 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.172 c1cc(nc(c1)CO)CO L02527 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.22 Cc1cc(c(c(c1)O)C)C A10745 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.118 Cc1c(nc(c(n1)C)C)C A18279 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.118 Cc1cc(c(cc1C)Br)C B23271 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.118 Cc1cc(c(cc1C)C)C L04493 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.118 Cc1cc(c(cc1C)O)C H50427 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.119 Cc1ccc(c(c1C)C)C L19756 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.119 Cc1ccc(c(c1C)O)C H60489 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.119 Cc1cnc(c(c1C)O)C H52357 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.23 Cc1ccc(cc1C)C(C)(C)C L08552 [0,2,0,0,0,0|2,0,0]=4 282 B8R1.1 CCc1[nH]cc(n1)C A15798 [1,0,0,0,1,0|0,0,1]=3 283 B8R1.1 CCc1cc(n[nH]1)N H50782 [1,0,0,0,1,0|2,0,0]=4 284 B8R1.1 CCc1cc(n[nH]1)N H51026 [1,0,0,0,1,0|2,0,0]=4 285 B8R1.1 CCc1ccc(s1)C B22640 [1,0,0,0,1,0|2,0,0]=4 286 B8R1.1 CCc1nc(cs1)C A15642 [1,0,0,0,1,0|1,0,0]=3 287 B8R1.1 Cc1cc(no1)CO H61948 [1,0,0,0,1,0|2,0,0]=4 288 B8R1.1 Cc1cc(on1)CO H63114 [1,0,0,0,1,0|2,0,0]=4 289 B8R1.1 Cc1nc(cs1)CCl A14902 [1,0,0,0,1,0|2,0,0]=4 290 B8R1.18 Cc1c(oc(n1)C)C A10328 [1,0,0,0,1,0|1,0,0]=3 291 B8R1.18 Cc1c(sc(n1)C)C A19046 [1,0,0,0,1,0|1,0,0]=3 292 B8R1.18 Cc1c(sc(n1)N)C B20803 [1,0,0,0,1,0|2,0,0]=4 293 B8R1.18 Cc1c(sc(n1)N)C H59878 [1,0,0,0,1,0|2,0,0]=4 294 B8R1.18 Cc1c(sc(n1)S)C H65085 [1,0,0,0,1,0|2,0,0]=4 295 B8R1.18 Cc1cc(n(n1)C)C A12504 [1,0,0,0,1,0|1,0,0]=3 296 B8R1.18 Cc1cc(n(n1)C)Cl A11730 [1,0,0,0,1,0|2,0,0]=4 297 B8R1.18 Cc1cc(n(n1)C)N A12980 [1,0,0,0,1,0|2,0,0]=4 298 B8R1.50 Cc1c(c(n[nH]1)C)Br A11759 [1,0,0,0,1,0|2,0,0]=4 299 B8R1.50 Cc1c(c(n[nH]1)C)F H33147 [1,0,0,0,1,0|2,0,0]=4 300 B8R1.50 Cc1c(c(n[nH]1)C)I B20647 [1,0,0,0,1,0|2,0,0]=4 301 B8R1.50 Cc1c(c(on1)C)Br A14179 [1,0,0,0,1,0|2,0,0]=4 302 B8R1.50 Cc1c(c(on1)C)I A19911 [1,0,0,0,1,0|2,0,0]=4 303 B8R1.50 Cc1c(noc1N)C L12191 [1,0,0,0,1,0|2,0,0]=4 304 B8R1.50 Cc1c(noc1N)C L18668 [1,0,0,0,1,0|2,0,0]=4 305 B8R1.50 Cc1ccc(n1C)C B25493 [1,0,0,0,1,0|2,0,0]=4