0 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.22 CNC(=O)c1ccc(cc1)Br H57940 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.22 CNC(=O)c1ccc(cn1)Br H54947 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.22 COC(=O)c1ccc(=O)oc1 B25330 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.22 COC(=O)c1ccc(cc1)Br A15517 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.22 COC(=O)c1ccc(cc1)Cl A10109 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.22 COC(=O)c1ccc(cc1)I A19342 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.22 COC(=O)c1ccc(cc1)N A11715 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [0,0,0,0,0,0|0,0,0]=0 15 B11R1.22 COC(=O)c1ccc(cn1)Br B25415 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.22 COC(=O)c1ccc(nc1)Cl A10396 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.22 COC(=O)c1ccc(nc1)F H61302 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.22 COC(=O)c1ccc(nc1)N H27575 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.22 COC(=O)c1cnc(cn1)Br H66706 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.22 COC(=O)c1cnc(cn1)Cl H66306 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.22 COC(=O)c1ncc(cn1)Br H61339 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [0,0,0,0,0,0|1,0,0]=1 26 B11R1.22 Cc1ccc(cc1)\C(=N\O)\N H51704 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.22 Cc1ccc(cn1)C(=O)OC L12276 [0,0,0,0,0,0|2,0,0]=2 28 B11R1.22 c1cc(ccc1C(=O)C=O)F L20272 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.22 c1cc(ccc1C(=O)NN)Br A18918 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.22 c1cc(ccc1C(=O)NN)Cl A11911 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.22 c1cc(ccc1C(=O)NN)F H53496 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.22 c1cc(ccc1C(=O)NN)N A10963 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.22 c1cc(ccc1C(=O)NN)O A12702 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.22 c1cc(ccc1\C(=N\O)\N)F H66567 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.22 c1cc(ccc1\C(=N\O)\N)N H51788 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.22 c1cc(ccc1\C(=N\O)\N)O H52148 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.1 CCCc1ccc(cc1)Br H26236 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.1 CCCc1ccc(cc1)I L05767 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.1 CCCc1ccc(cc1)N L03880 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.1 CCCc1ccc(cc1)O A15342 [1,0,0,0,0,0|1,0,1]=3 47 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.1 CCOc1ccc(cc1)Br B21398 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.1 CCOc1ccc(cc1)I B21644 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.1 CCOc1ccc(cc1)N A10416 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.1 CCOc1ccc(cc1)O B20584 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.1 CCSc1ccc(cc1)Br L13718 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.1 CNCc1ccc(cc1)Br H54506 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.1 CNCc1ccc(cc1)Cl H63294 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.1 CNCc1ccc(cc1)F H54369 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.1 c1cc(ccc1CC#N)O A10971 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.1 c1cc(ccc1CCN)O A12220 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.1 c1cc(ccc1CCO)O A14891 [1,0,0,0,0,0|2,0,1]=4 59 B10R1.13 B(c1ccc(cc1)Br)(O)O L01565 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.13 B(c1ccc(cc1)C)(O)O A13347 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.13 B(c1ccc(cc1)Cl)(O)O A15657 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.13 B(c1ccc(cc1)F)(O)O A15991 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.13 B(c1ccc(cc1)I)(O)O H51119 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.13 B(c1ccc(cc1)N)(O)O H27479 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.13 B(c1ccc(cc1)O)(O)O L15594 [1,0,0,0,0,0|1,0,1]=3 66 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [1,0,0,0,0,0|1,0,0]=2 69 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [1,0,0,0,0,0|1,0,0]=2 71 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [1,0,0,0,0,0|1,0,0]=2 72 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [1,0,0,0,0,0|1,0,0]=2 73 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [1,0,0,0,0,0|0,0,0]=1 74 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.13 CC(C)c1ccc(cc1)I B25476 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.13 CC(C)c1ccc(cc1)N A14646 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.13 CC(C)c1ccc(cc1)O B22620 [1,0,0,0,0,0|1,0,1]=3 79 B10R1.13 CC(C)c1ccc(cc1)S A16038 [1,0,0,0,0,0|1,1,1]=4 80 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [1,0,0,0,0,0|1,0,2]=4 83 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [1,0,0,0,0,0|1,0,2]=4 84 B10R1.13 CC(c1ccc(cc1)F)N L04575 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.13 CC(c1ccc(cc1)F)O B22097 [1,0,0,0,0,0|1,0,2]=4 86 B10R1.13 CC(c1ccc(cc1)N)O L03341 [1,0,0,0,0,0|1,0,2]=4 87 B10R1.13 CC(c1ccc(cc1)O)N H63700 [1,0,0,0,0,0|1,0,1]=3 88 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 CN(C)c1ccc(cc1)N A10343 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 CN(C)c1ccc(cc1)N A14175 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.13 CN(C)c1ccc(cc1)N A15962 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [1,0,0,0,0,0|2,0,1]=4 96 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [1,0,0,0,0,0|1,0,1]=3 97 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [1,0,0,0,0,0|1,0,1]=3 101 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [1,0,0,0,0,0|1,0,0]=2 103 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [1,0,0,0,0,0|2,0,0]=3 104 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [1,0,0,0,0,0|1,0,0]=2 106 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [1,0,0,0,0,0|2,1,0]=4 107 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [1,0,0,0,0,0|2,0,1]=4 108 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [1,0,0,0,0,0|1,0,2]=4 109 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [1,0,0,0,0,0|2,0,0]=3 117 B10R1.13 Cc1cnc(cn1)C(=O)O A14011 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.13 Cc1ncc(cn1)C(=O)O H64375 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.13 c1c(cnc(n1)C(=O)O)Br H64041 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.13 c1c(ncc(n1)Br)C(=O)O H66382 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.13 c1c(ncc(n1)Cl)C(=O)O H32596 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.13 c1c(ncc(n1)N)C(=O)O H66207 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [1,0,0,0,0,0|1,0,1]=3 124 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [1,0,0,0,0,0|1,0,1]=3 125 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [1,0,0,0,0,0|2,0,0]=3 134 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [1,0,0,0,0,0|2,0,0]=3 138 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [1,0,0,0,0,0|1,0,0]=2 139 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [1,0,0,0,0,0|1,0,0]=2 140 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [1,0,0,0,0,0|1,0,0]=2 141 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [1,0,0,0,0,0|1,0,0]=2 142 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [1,0,0,0,0,0|1,0,0]=2 143 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [1,0,0,0,0,0|1,0,0]=2 144 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [1,0,0,0,0,0|0,0,0]=1 145 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [1,0,0,0,0,0|0,0,1]=2 146 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [1,0,0,0,0,0|2,1,0]=4 147 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [1,0,0,0,0,0|2,1,0]=4 148 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [1,0,0,0,0,0|2,1,0]=4 149 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [1,0,0,0,0,0|2,1,0]=4 150 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [1,0,0,0,0,0|1,1,0]=3 151 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] A10369 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.13 c1cc(ccc1S(=O)[O-])Br B20281 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.13 c1cc(ccc1S(=O)[O-])Cl A12583 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br A17705 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A15396 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.13 c1cc(ccc1[N+](=O)[O-])F A11057 [1,0,0,0,0,0|2,0,1]=4 158 B10R1.13 c1cc(ccc1[N+](=O)[O-])I B23950 [1,0,0,0,0,0|2,0,1]=4 159 B10R1.13 c1cc(ccc1[N+](=O)[O-])O A14376 [1,0,0,0,0,0|1,0,1]=3 160 B10R1.13 c1cc(ccc1[N+](=O)[O-])S H59240 [1,0,0,0,0,0|1,1,1]=4 161 B10R1.13 c1cc(ncc1Br)C(=O)Cl H61760 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [1,0,0,0,0,0|2,0,0]=3 163 B10R1.13 c1cc(ncc1C(=O)Cl)Cl A12354 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.13 c1cc(ncc1C(=O)N)Cl B21922 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.13 c1cc(ncc1C(=O)N)N L06692 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [1,0,0,0,0,0|2,0,0]=3 167 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [1,0,0,0,0,0|2,0,0]=3 168 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [1,0,0,0,0,0|2,0,0]=3 170 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [1,0,0,0,0,0|1,0,0]=2 171 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [1,0,0,0,0,0|1,0,0]=2 175 B10R1.13 c1cc(ncc1[N+](=O)[O-])O A13921 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,0,0,0,0,0|1,0,0]=2 177 B10R1.15 CCC(=O)c1cccnc1 L09711 [1,0,0,0,0,0|2,0,0]=3 178 B10R1.15 CCC(=O)c1ccncc1 L11552 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.15 CCC(C)c1ccccc1 B22962 [1,0,0,0,0,0|2,0,1]=4 180 B10R1.15 CCC(c1ccccc1)O A10830 [1,0,0,0,0,0|1,0,2]=4 181 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,0,0,0,0,0|2,0,1]=4 182 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,0,0,0,0,0|1,0,2]=4 183 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,0,0,0,0,0|2,0,1]=4 184 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,0,0,0,0,0|1,0,2]=4 185 B10R1.15 CNC(=O)c1ccccc1 A18057 [1,0,0,0,0,0|1,0,0]=2 186 B10R1.15 COC(=O)c1ccccc1 44368 [1,0,0,0,0,0|0,0,0]=1 187 B10R1.15 COC(=O)c1ccccc1 A12404 [1,0,0,0,0,0|0,0,0]=1 188 B10R1.15 COC(=O)c1ccccn1 H54530 [1,0,0,0,0,0|1,0,0]=2 189 B10R1.15 COC(=O)c1cccnc1 B23908 [1,0,0,0,0,0|1,0,0]=2 190 B10R1.15 COC(=O)c1ccncc1 B23263 [1,0,0,0,0,0|1,0,0]=2 191 B10R1.15 COC(=O)c1ccnnc1 H27449 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.15 COC(=O)c1cnccn1 A12028 [1,0,0,0,0,0|2,0,0]=3 193 B10R1.15 CSC(=N)c1ccccn1 H51786 [1,0,0,0,0,0|2,1,0]=4 194 B10R1.15 CSC(=N)c1cccnc1 H51776 [1,0,0,0,0,0|2,1,0]=4 195 B10R1.15 CSC(=N)c1ccncc1 H51774 [1,0,0,0,0,0|2,1,0]=4 196 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.15 c1cc(cnc1)C(=O)NN L02059 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.15 c1cc(cnc1)C(=O)[NH2+][O-] H61292 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [1,0,0,0,0,0|2,0,0]=3 200 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,0,0,0,0,0|2,0,0]=3 201 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,0,0,0,0,0|2,0,0]=3 202 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,0,0,0,0,0|2,0,0]=3 203 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,0,0,0,0,0|2,0,0]=3 204 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,0,0,0,0,0|2,0,0]=3 205 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.15 c1cnccc1C(=O)CBr H32285 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.15 c1cnccc1C(=O)NN A10583 [1,0,0,0,0,0|3,0,0]=4 209 B12R1.5 CCC(=O)c1ccc(cc1)OC A14619 [0,1,0,0,0,0|1,0,0]=2 210 B12R1.5 CNc1ccc(cc1)C(=O)OC A13460 [0,1,0,0,0,0|1,0,0]=2 211 B12R1.5 COC(=O)c1ccc(cc1)C#C H53419 [0,1,0,0,0,0|1,0,0]=2 212 B12R1.5 COC(=O)c1ccc(cc1)C#N L08365 [0,1,0,0,0,0|1,0,0]=2 213 B12R1.5 COC(=O)c1ccc(cc1)C=C H60057 [0,1,0,0,0,0|1,0,0]=2 214 B12R1.5 COC(=O)c1ccc(cc1)C=O B24091 [0,1,0,0,0,0|0,0,1]=2 215 B12R1.5 COC(=O)c1ccc(cc1)CBr A10557 [0,1,0,0,0,0|1,0,0]=2 216 B12R1.5 COC(=O)c1ccc(cc1)CCl B22476 [0,1,0,0,0,0|1,0,0]=2 217 B12R1.5 COC(=O)c1ccc(cc1)CO B22564 [0,1,0,0,0,0|0,0,0]=1 218 B12R1.5 COC(=O)c1ccc(nc1)CO H64750 [0,1,0,0,0,0|1,0,0]=2 219 B12R1.5 COc1ccc(cc1)C(=O)C=O L20274 [0,1,0,0,0,0|2,0,0]=3 220 B12R1.5 COc1ccc(cc1)C(=O)CBr A13415 [0,1,0,0,0,0|2,0,0]=3 221 B12R1.5 COc1ccc(cc1)C(=O)CN H66966 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.5 COc1ccc(cc1)C(=O)NN A13015 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.5 COc1ccc(cc1)C(=O)OC A12598 [0,1,0,0,0,0|0,0,0]=1 224 B12R1.5 COc1ccc(cc1)\C(=N\O)\N H52141 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.5 COc1ccc(cn1)C(=O)OC B20808 [0,1,0,0,0,0|1,0,0]=2 226 B12R1.5 c1cc(ccc1C#N)C(=O)CBr B25382 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.5 c1cc(ccc1CO)\C(=N\O)\N H52161 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.9 CCC(C)(C)c1ccc(cc1)O B20939 [0,1,0,0,0,0|2,0,1]=4 229 B12R1.9 CO[Si](C)(C)c1ccc(cc1)Cl H27810 [0,1,0,0,0,0|2,1,0]=4 230 B12R1.9 Cc1ccc(cc1)S(=O)(=O)OC A10881 [0,1,0,0,0,0|2,0,0]=3 231 B12R1.9 Cc1ccc(cc1)[Si](C)(C)OC H27943 [0,1,0,0,0,0|2,1,0]=4 232 B12R1.12 COC(c1ccc(cc1)Br)OC H55283 [0,1,0,0,0,0|1,0,2]=4 233 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A14531 [0,1,0,0,0,0|2,0,0]=3 234 B12R1.16 CCCC(=O)c1ccc(cc1)F H26034 [0,1,0,0,0,0|2,0,0]=3 235 B12R1.16 CCNC(=O)c1ccc(cc1)Br H58111 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.16 CCNC(=O)c1ccc(cc1)C H57901 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.16 CCNC(=O)c1ccc(cc1)Cl H59072 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.16 CCNC(=O)c1ccc(cc1)F H58065 [0,1,0,0,0,0|2,0,0]=3 239 B12R1.16 CCNC(=O)c1ccc(cn1)Br H54309 [0,1,0,0,0,0|3,0,0]=4 240 B12R1.16 CCOC(=O)c1ccc(cc1)Br A11365 [0,1,0,0,0,0|1,0,0]=2 241 B12R1.16 CCOC(=O)c1ccc(cc1)C A10568 [0,1,0,0,0,0|1,0,0]=2 242 B12R1.16 CCOC(=O)c1ccc(cc1)Cl A12540 [0,1,0,0,0,0|1,0,0]=2 243 B12R1.16 CCOC(=O)c1ccc(cc1)F B21484 [0,1,0,0,0,0|1,0,0]=2 244 B12R1.16 CCOC(=O)c1ccc(cc1)I A14570 [0,1,0,0,0,0|1,0,0]=2 245 B12R1.16 CCOC(=O)c1ccc(cc1)N A12754 [0,1,0,0,0,0|1,0,0]=2 246 B12R1.16 CCOC(=O)c1ccc(cc1)O A13172 [0,1,0,0,0,0|0,0,0]=1 247 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58477 [0,1,0,0,0,0|1,0,0]=2 248 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58484 [0,1,0,0,0,0|1,0,0]=2 249 B12R1.16 CCOC(=O)c1ccc(nc1)Cl A14723 [0,1,0,0,0,0|2,0,0]=3 250 B12R1.16 CCOC(=O)c1cnc(cn1)Cl H66630 [0,1,0,0,0,0|3,0,0]=4 251 B12R1.16 CCOC(=O)c1cnc(cn1)N H66918 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.16 CCOC(=O)c1cnc(nc1)Cl H64914 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.16 CCOC(=O)c1ncc(cn1)Br H61304 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.16 Cc1ccc(cc1)C(=O)CC#N A10950 [0,1,0,0,0,0|2,0,1]=4 255 B12R1.16 c1cc(ccc1C(=O)CC#N)Cl A12364 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.16 c1cc(ccc1C(=O)CC#N)F H61988 [0,1,0,0,0,0|2,0,1]=4 257 B12R1.16 c1cc(ccc1C(=O)CCCl)Br A13988 [0,1,0,0,0,0|2,0,0]=3 258 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl A13311 [0,1,0,0,0,0|2,0,0]=3 259 B12R1.16 c1cc(ccc1C(=O)CCCl)F B21891 [0,1,0,0,0,0|2,0,0]=3 260 B12R1.20 CC(C(=O)c1ccc(cc1)F)Br H61338 [0,1,0,0,0,0|2,0,0]=3 261 B12R1.20 CC(C)C(=O)c1ccc(cc1)F H26036 [0,1,0,0,0,0|2,0,0]=3 262 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br H58994 [0,1,0,0,0,0|2,0,0]=3 263 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl H59486 [0,1,0,0,0,0|2,0,0]=3 264 B12R1.20 CN(C)C(=O)c1ccc(cc1)F H58080 [0,1,0,0,0,0|2,0,0]=3 265 B12R1.20 CN(C)C(=O)c1ccc(cc1)N H50364 [0,1,0,0,0,0|2,0,0]=3 266 B12R1.20 CN(C)C(=O)c1ccc(cn1)Br H54686 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.20 Cc1ccc(cc1)C(=O)C(C)Br H64881 [0,1,0,0,0,0|2,0,0]=3 268 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C H57881 [0,1,0,0,0,0|2,0,0]=3 269 B12R1.20 c1cc(ccc1C(=O)C(Br)Br)Br H27466 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.20 c1cc(ccc1C(=O)C(Br)Br)F L19788 [0,1,0,0,0,0|3,0,0]=4 271 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F B25429 [0,1,0,0,0,0|2,0,0]=3 272 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl A18740 [0,1,0,0,0,0|2,0,0]=3 273 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl H31529 [0,1,0,0,0,0|2,0,0]=3 274 B12R1.367 CCC(=O)c1ccc(c(c1)F)F A17257 [0,1,0,0,0,0|2,0,0]=3 275 B12R1.367 CCC(=O)c1ccc(c(c1)O)O A13444 [0,1,0,0,0,0|1,0,0]=2 276 B12R1.367 COC(=O)c1cc(c(nc1)Br)F H64395 [0,1,0,0,0,0|2,0,0]=3 277 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Br H64754 [0,1,0,0,0,0|2,0,0]=3 278 B12R1.367 COC(=O)c1cc(c(nc1)N)Br H33991 [0,1,0,0,0,0|2,0,0]=3 279 B12R1.367 COC(=O)c1cc(c(nc1)O)Br H33548 [0,1,0,0,0,0|1,0,0]=2 280 B12R1.367 COC(=O)c1ccc(c(c1)Br)N H64303 [0,1,0,0,0,0|1,0,0]=2 281 B12R1.367 COC(=O)c1ccc(c(c1)Br)O H30222 [0,1,0,0,0,0|0,0,0]=1 282 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Cl B20027 [0,1,0,0,0,0|1,0,0]=2 283 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N B22519 [0,1,0,0,0,0|1,0,0]=2 284 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O A12389 [0,1,0,0,0,0|0,0,0]=1 285 B12R1.367 COC(=O)c1ccc(c(c1)F)F A19866 [0,1,0,0,0,0|1,0,0]=2 286 B12R1.367 COC(=O)c1ccc(c(c1)F)O H61219 [0,1,0,0,0,0|0,0,0]=1 287 B12R1.367 COC(=O)c1ccc(c(c1)I)O H56877 [0,1,0,0,0,0|0,0,0]=1 288 B12R1.367 COC(=O)c1ccc(c(c1)N)I B25699 [0,1,0,0,0,0|1,0,0]=2 289 B12R1.367 COC(=O)c1ccc(c(c1)N)N A14656 [0,1,0,0,0,0|1,0,0]=2 290 B12R1.367 COC(=O)c1ccc(c(c1)N)O H66894 [0,1,0,0,0,0|0,0,0]=1 291 B12R1.367 COC(=O)c1ccc(c(c1)O)F B25683 [0,1,0,0,0,0|1,0,0]=2 292 B12R1.367 COC(=O)c1ccc(c(c1)O)I H64354 [0,1,0,0,0,0|1,0,0]=2 293 B12R1.367 COC(=O)c1ccc(c(c1)O)N L05687 [0,1,0,0,0,0|1,0,0]=2 294 B12R1.367 COC(=O)c1ccc(c(c1)O)O L09552 [0,1,0,0,0,0|0,0,0]=1 295 B12R1.367 Cc1cc(ccc1Br)C(=O)OC A19078 [0,1,0,0,0,0|1,0,0]=2 296 B12R1.367 Cc1cc(ccc1Cl)C(=O)OC L13110 [0,1,0,0,0,0|1,0,0]=2 297 B12R1.367 Cc1cc(ccc1I)C(=O)OC B25395 [0,1,0,0,0,0|1,0,0]=2 298 B12R1.367 Cc1cc(ccc1N)C(=O)OC H61117 [0,1,0,0,0,0|1,0,0]=2 299 B12R1.367 Cc1ccc(cc1Br)C(=O)OC B24372 [0,1,0,0,0,0|1,0,0]=2 300 B12R1.367 Cc1ccc(cc1C)C(=O)OC B20024 [0,1,0,0,0,0|1,0,0]=2 301 B12R1.367 Cc1ccc(cc1Cl)C(=O)OC H25933 [0,1,0,0,0,0|1,0,0]=2 302 B12R1.367 Cc1ccc(cc1I)C(=O)OC H28734 [0,1,0,0,0,0|1,0,0]=2 303 B12R1.367 Cc1ccc(cc1N)C(=O)OC A15348 [0,1,0,0,0,0|1,0,0]=2 304 B12R1.367 c1cc(c(cc1C(=O)C=O)F)F L20271 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)Cl A13365 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)F H61852 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.367 c1cc(c(cc1C(=O)CCl)Cl)Cl B25397 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O B23496 [0,1,0,0,0,0|2,0,0]=3 309 B12R1.367 c1cc(c(cc1C(=O)NN)N)N L05263 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.367 c1cc(c(cc1C(=O)NN)N)O A11538 [0,1,0,0,0,0|2,0,0]=3 311 B12R1.367 c1cc(c(cc1C(=O)NN)O)O B21746 [0,1,0,0,0,0|2,0,0]=3 312 B12R1.367 c1cc(c(cc1\C(=N\O)\N)O)O H54311 [0,1,0,0,0,0|3,0,0]=4 313 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl A11252 [0,1,0,0,0,0|2,0,0]=3 314 B12R1.1703 CCC(=O)c1ccc(cc1F)F A12032 [0,1,0,0,0,0|2,0,0]=3 315 B12R1.1703 CCC(=O)c1ccc(cc1O)O B23414 [0,1,0,0,0,0|1,0,0]=2 316 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl B20583 [0,1,0,0,0,0|1,0,0]=2 317 B12R1.1703 COC(=O)c1ccc(cc1Cl)F A18342 [0,1,0,0,0,0|1,0,0]=2 318 B12R1.1703 COC(=O)c1ccc(cc1F)F H32161 [0,1,0,0,0,0|1,0,0]=2 319 B12R1.1703 COC(=O)c1ccc(cc1F)O H61675 [0,1,0,0,0,0|0,0,0]=1 320 B12R1.1703 COC(=O)c1ccc(cc1N)Cl L11125 [0,1,0,0,0,0|1,0,0]=2 321 B12R1.1703 COC(=O)c1ccc(cc1N)F H61749 [0,1,0,0,0,0|1,0,0]=2 322 B12R1.1703 COC(=O)c1ccc(cc1O)F L17846 [0,1,0,0,0,0|1,0,0]=2 323 B12R1.1703 COC(=O)c1ccc(cc1O)I B25438 [0,1,0,0,0,0|1,0,0]=2 324 B12R1.1703 COC(=O)c1ccc(cc1O)N 45520 [0,1,0,0,0,0|1,0,0]=2 325 B12R1.1703 COC(=O)c1ccc(cc1O)O B24757 [0,1,0,0,0,0|0,0,0]=1 326 B12R1.1703 COC(=O)c1ccc(nc1Cl)Cl H51092 [0,1,0,0,0,0|2,0,0]=3 327 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl H64077 [0,1,0,0,0,0|2,0,0]=3 328 B12R1.1703 Cc1cc(ccc1C(=O)OC)F H63268 [0,1,0,0,0,0|1,0,0]=2 329 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br H64151 [0,1,0,0,0,0|2,0,0]=3 330 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC H63144 [0,1,0,0,0,0|1,0,0]=2 331 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC H64793 [0,1,0,0,0,0|1,0,0]=2 332 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr H59615 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl A10835 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN A12803 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O L20266 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr H56442 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.1703 c1cc(c(cc1F)F)C(=O)CCl B22487 [0,1,0,0,0,0|3,0,0]=4 338 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN L09918 [0,1,0,0,0,0|2,0,0]=3 339 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,0,0,1,0,0|2,0,0]=3 340 B12R2.612 c1cc2c(cc1Br)CCC2=O B25707 [0,0,0,1,0,0|2,0,0]=3 341 B12R2.612 c1cc2c(cc1Br)CNC2=O H52358 [0,0,0,1,0,0|2,0,0]=3 342 B12R2.612 c1cc2c(cc1Br)COC2=O H33891 [0,0,0,1,0,0|1,0,0]=2 343 B12R2.612 c1cc2c(cc1Cl)CCC2=O A18308 [0,0,0,1,0,0|2,0,0]=3 344 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [0,0,0,1,0,0|2,0,0]=3 345 B12R2.612 c1cc2c(cc1N)CCC2=O H66425 [0,0,0,1,0,0|2,0,0]=3 346 B12R2.612 c1cc2c(cc1N)COC2=O H66457 [0,0,0,1,0,0|1,0,0]=2 347 B12R2.612 c1cc2c(cc1O)OCC2=O L10951 [0,0,0,1,0,0|2,0,0]=3 348 B10R1.14 COC(=O)c1cc(c[nH]1)Br H33918 [0,0,0,0,1,0|2,0,0]=3 349 B10R1.14 COC(=O)c1cc(c[nH]1)I H33193 [0,0,0,0,1,0|2,0,0]=3 350 B10R1.14 COC(=O)c1ccc(o1)Br B20524 [0,0,0,0,1,0|2,0,0]=3 351 B10R1.14 COC(=O)c1ccc(o1)N L05958 [0,0,0,0,1,0|2,0,0]=3 352 B10R1.14 COC(=O)c1cnc(s1)Br H27410 [0,0,0,0,1,0|3,0,0]=4 353 B10R1.14 COC(=O)c1csc(n1)Br H63541 [0,0,0,0,1,0|3,0,0]=4 354 B10R1.14 Cc1cc(n[nH]1)C(=O)OC H36130 [0,0,0,0,1,0|3,0,0]=4 355 B10R1.14 Cc1cc(no1)C(=O)OC A19814 [0,0,0,0,1,0|3,0,0]=4 356 B10R1.14 Cc1ccc(o1)C(=O)OC H27570 [0,0,0,0,1,0|2,0,0]=3 357 B10R1.14 Cc1cnc(s1)C(=O)OC H63644 [0,0,0,0,1,0|3,0,0]=4 358 B12R1.49 COC(=O)Cc1ccc(cc1)F H32236 [0,0,0,0,0,1|1,0,0]=2 359 B12R1.49 COC(=O)Cc1ccc(cc1)O B22533 [0,0,0,0,0,1|0,0,0]=1 360 B12R1.49 c1cc(ccc1NC(=O)CCl)F A17669 [0,0,0,0,0,1|3,0,0]=4 361 B9R1.1 C=Cc1ccc(cc1)Br A17896 [2,0,0,0,0,0|1,0,1]=4 362 B9R1.1 C=Cc1ccc(cc1)Cl B20512 [2,0,0,0,0,0|1,0,1]=4 363 B9R1.1 C=Cc1ccc(cc1)F A14775 [2,0,0,0,0,0|1,0,1]=4 364 B9R1.1 C=Cc1ccc(cc1)N L11845 [2,0,0,0,0,0|1,0,1]=4 365 B9R1.1 C=Cc1ccc(cc1)O L10902 [2,0,0,0,0,0|0,0,1]=3 366 B9R1.1 CCc1ccc(cc1)Br A13013 [2,0,0,0,0,0|1,0,1]=4 367 B9R1.1 CCc1ccc(cc1)C L02120 [2,0,0,0,0,0|1,0,1]=4 368 B9R1.1 CCc1ccc(cc1)Cl L07931 [2,0,0,0,0,0|1,0,1]=4 369 B9R1.1 CCc1ccc(cc1)F L05940 [2,0,0,0,0,0|1,0,1]=4 370 B9R1.1 CCc1ccc(cc1)I A14138 [2,0,0,0,0,0|1,0,1]=4 371 B9R1.1 CCc1ccc(cc1)N B24652 [2,0,0,0,0,0|1,0,1]=4 372 B9R1.1 CCc1ccc(cc1)O B23433 [2,0,0,0,0,0|0,0,1]=3 373 B9R1.1 CCc1ccc(cc1)S B25026 [2,0,0,0,0,0|0,1,1]=4 374 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [2,0,0,0,0,0|1,0,1]=4 375 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [2,0,0,0,0,0|1,0,1]=4 376 B9R1.1 CNc1ccc(cc1)Br H55273 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.1 CNc1ccc(cc1)Cl B23962 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.1 CNc1ccc(cc1)F H55105 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.1 CNc1ccc(cc1)O 36674 [2,0,0,0,0,0|1,0,0]=3 380 B9R1.1 CNc1ccc(cc1)O A16236 [2,0,0,0,0,0|1,0,0]=3 381 B9R1.1 COc1cc[n+](cc1)[O-] L04709 [2,0,0,0,0,0|1,0,1]=4 382 B9R1.1 COc1cc[n+](cc1)[O-] L17830 [2,0,0,0,0,0|1,0,1]=4 383 B9R1.1 COc1ccc(cc1)Br A11824 [2,0,0,0,0,0|1,0,0]=3 384 B9R1.1 COc1ccc(cc1)Cl A11377 [2,0,0,0,0,0|1,0,0]=3 385 B9R1.1 COc1ccc(cc1)F B23048 [2,0,0,0,0,0|1,0,0]=3 386 B9R1.1 COc1ccc(cc1)I A12144 [2,0,0,0,0,0|1,0,0]=3 387 B9R1.1 COc1ccc(cc1)N A10946 [2,0,0,0,0,0|1,0,0]=3 388 B9R1.1 COc1ccc(cc1)O A14845 [2,0,0,0,0,0|0,0,0]=2 389 B9R1.1 COc1ccc(cc1)O B23530 [2,0,0,0,0,0|0,0,0]=2 390 B9R1.1 COc1ccc(cc1)S A16009 [2,0,0,0,0,0|0,1,0]=3 391 B9R1.1 COc1ccc(cc1)[Mg+] 89435 [2,0,0,0,0,0|1,0,0]=3 392 B9R1.1 COc1ccc(cc1)[Mg+] H54317 [2,0,0,0,0,0|1,0,0]=3 393 B9R1.1 COc1ccc(cc1)[Mg+] H55397 [2,0,0,0,0,0|1,0,0]=3 394 B9R1.1 COc1ccc(cc1)[Zn+] H58690 [2,0,0,0,0,0|1,0,0]=3 395 B9R1.1 COc1ccc(cn1)Br L20017 [2,0,0,0,0,0|2,0,0]=4 396 B9R1.1 COc1ccc(cn1)Cl H59376 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.1 COc1ccc(cn1)F H30991 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.1 COc1ccc(cn1)I H50135 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.1 COc1ccc(cn1)N H27528 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.1 CSc1ccc(cc1)Br A15504 [2,0,0,0,0,0|1,1,0]=4 401 B9R1.1 CSc1ccc(cc1)Cl A11025 [2,0,0,0,0,0|1,1,0]=4 402 B9R1.1 CSc1ccc(cc1)F L04979 [2,0,0,0,0,0|1,1,0]=4 403 B9R1.1 CSc1ccc(cc1)N L04950 [2,0,0,0,0,0|1,1,0]=4 404 B9R1.1 CSc1ccc(cc1)O H26225 [2,0,0,0,0,0|0,1,0]=3 405 B9R1.1 CSc1ccc(cc1)S L09580 [2,0,0,0,0,0|0,2,0]=4 406 B9R1.1 CSc1ccc(cc1)[Zn+] H58137 [2,0,0,0,0,0|1,1,0]=4 407 B9R1.1 Cc1ccc(cc1)C=C L01480 [2,0,0,0,0,0|1,0,1]=4 408 B9R1.1 Cc1ccc(cc1)C=O A11384 [2,0,0,0,0,0|1,0,0]=3 409 B9R1.1 Cc1ccc(cc1)CO A15315 [2,0,0,0,0,0|1,0,1]=4 410 B9R1.1 Cc1ccc(cc1)OC A11572 [2,0,0,0,0,0|1,0,0]=3 411 B9R1.1 Cc1ccc(cc1)SC L02933 [2,0,0,0,0,0|1,1,0]=4 412 B9R1.1 Cc1ccc(cn1)C=O H66926 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.1 c1cc(ccc1C#N)O A15803 [2,0,0,0,0,0|1,0,1]=4 414 B9R1.1 c1cc(ccc1C=O)Br A14237 [2,0,0,0,0,0|1,0,0]=3 415 B9R1.1 c1cc(ccc1C=O)Cl A12757 [2,0,0,0,0,0|1,0,0]=3 416 B9R1.1 c1cc(ccc1C=O)F A15383 [2,0,0,0,0,0|1,0,0]=3 417 B9R1.1 c1cc(ccc1C=O)I L17448 [2,0,0,0,0,0|1,0,0]=3 418 B9R1.1 c1cc(ccc1C=O)O A13580 [2,0,0,0,0,0|0,0,0]=2 419 B9R1.1 c1cc(ccc1CO)Br A13197 [2,0,0,0,0,0|1,0,1]=4 420 B9R1.1 c1cc(ccc1CO)Cl A11504 [2,0,0,0,0,0|1,0,1]=4 421 B9R1.1 c1cc(ccc1CO)F A12336 [2,0,0,0,0,0|1,0,1]=4 422 B9R1.1 c1cc(ccc1CO)I L19278 [2,0,0,0,0,0|1,0,1]=4 423 B9R1.1 c1cc(ccc1CO)N A14130 [2,0,0,0,0,0|1,0,1]=4 424 B9R1.1 c1cc(ccc1CO)O A13132 [2,0,0,0,0,0|0,0,1]=3 425 B9R1.1 c1cc(ncc1Br)C=O H50154 [2,0,0,0,0,0|2,0,0]=4 426 B9R1.1 c1cc(ncc1C=O)Br H63867 [2,0,0,0,0,0|2,0,0]=4 427 B9R1.1 c1cc(ncc1C=O)Cl H55550 [2,0,0,0,0,0|2,0,0]=4 428 B9R1.8 CC#Cc1ccccc1 A14272 [2,0,0,0,0,0|1,0,1]=4 429 B9R1.8 CCCc1ccccc1 B21468 [2,0,0,0,0,0|1,0,1]=4 430 B9R1.8 CCNc1ccccc1 A15060 [2,0,0,0,0,0|2,0,0]=4 431 B9R1.8 CCOc1ccccc1 A15501 [2,0,0,0,0,0|2,0,0]=4 432 B9R1.8 CCSc1ccccc1 A13987 [2,0,0,0,0,0|2,0,0]=4 433 B9R1.8 CNCc1ccccc1 A13746 [2,0,0,0,0,0|1,0,1]=4 434 B9R1.8 COCc1ccccc1 B23490 [2,0,0,0,0,0|0,0,1]=3 435 B9R1.8 C\N=C\c1ccccc1 B25161 [2,0,0,0,0,0|1,0,0]=3 436 B9R1.8 c1ccc(cc1)CON A17393 [2,0,0,0,0,0|1,0,1]=4 437 B9R1.8 c1ccc(cc1)CON L13601 [2,0,0,0,0,0|1,0,1]=4 438 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.8 c1ccc(cc1)\C=N\O A12053 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.6 B(c1ccccc1)(O)O A14257 [2,0,0,0,0,0|1,0,1]=4 441 B9R1.6 B(c1ccccc1)(O)O L19459 [2,0,0,0,0,0|1,0,1]=4 442 B9R1.6 CC(=C)c1ccccc1 L03609 [2,0,0,0,0,0|1,0,0]=3 443 B9R1.6 CC(=O)c1ccccc1 A12727 [2,0,0,0,0,0|0,0,0]=2 444 B9R1.6 CC(=O)c1ccccn1 A12688 [2,0,0,0,0,0|1,0,0]=3 445 B9R1.6 CC(=O)c1cccnc1 A14246 [2,0,0,0,0,0|1,0,0]=3 446 B9R1.6 CC(=O)c1ccncc1 A12015 [2,0,0,0,0,0|1,0,0]=3 447 B9R1.6 CC(=O)c1ccnnc1 H66461 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.6 CC(=O)c1cnccn1 A15917 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.6 CC(C)c1ccccc1 A11864 [2,0,0,0,0,0|1,0,1]=4 450 B9R1.6 CC(c1ccccc1)Br A16839 [2,0,0,0,0,0|1,0,1]=4 451 B9R1.6 CC(c1ccccc1)N A15711 [2,0,0,0,0,0|1,0,1]=4 452 B9R1.6 CC(c1ccccc1)O A13837 [2,0,0,0,0,0|0,0,2]=4 453 B9R1.6 CC(c1ccccc1)S H26345 [2,0,0,0,0,0|0,1,1]=4 454 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [2,0,0,0,0,0|1,0,1]=4 455 B9R1.6 CN(C)c1ccccc1 A11916 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.6 CN(c1ccccc1)N B22440 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.6 CP(C)c1ccccc1 A17975 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.6 CS(=O)c1ccccc1 A15009 [2,0,0,0,0,0|1,0,0]=3 459 B9R1.6 C[C@@H](c1ccccc1)N A12632 [2,0,0,0,0,0|1,0,1]=4 460 B9R1.6 C[C@@H](c1ccccc1)N L19118 [2,0,0,0,0,0|1,0,1]=4 461 B9R1.6 C[C@@H](c1ccccc1)O B21188 [2,0,0,0,0,0|0,0,2]=4 462 B9R1.6 C[C@H](c1ccccc1)N A10967 [2,0,0,0,0,0|1,0,1]=4 463 B9R1.6 C[C@H](c1ccccc1)N L19117 [2,0,0,0,0,0|1,0,1]=4 464 B9R1.6 C[C@H](c1ccccc1)O L19296 [2,0,0,0,0,0|0,0,2]=4 465 B9R1.6 C[SiH](C)c1ccccc1 L04558 [2,0,0,0,0,0|1,1,0]=4 466 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [2,0,0,0,0,0|1,0,0]=3 467 B9R1.6 c1c(cncn1)C(=O)O H61406 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [2,0,0,0,0,0|2,0,0]=4 469 B9R1.6 c1cc(cnc1)C(=O)N A15970 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.6 c1cc(cnc1)C(=O)O A12683 [2,0,0,0,0,0|1,0,0]=3 471 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [2,0,0,0,0,0|1,0,1]=4 472 B9R1.6 c1cc(nnc1)C(=O)O H34341 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.6 c1ccc(cc1)C(=N)N A16002 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [2,0,0,0,0,0|1,0,0]=3 475 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [2,0,0,0,0,0|1,0,0]=3 476 B9R1.6 c1ccc(cc1)C(=O)F L11464 [2,0,0,0,0,0|1,0,0]=3 477 B9R1.6 c1ccc(cc1)C(=O)N A10501 [2,0,0,0,0,0|1,0,0]=3 478 B9R1.6 c1ccc(cc1)C(=O)O 36230 [2,0,0,0,0,0|0,0,0]=2 479 B9R1.6 c1ccc(cc1)C(=O)O A14062 [2,0,0,0,0,0|0,0,0]=2 480 B9R1.6 c1ccc(cc1)C(=O)O H25864 [2,0,0,0,0,0|0,0,0]=2 481 B9R1.6 c1ccc(cc1)C(=O)O L19473 [2,0,0,0,0,0|0,0,0]=2 482 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [2,0,0,0,0,0|0,0,1]=3 483 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [2,0,0,0,0,0|0,0,1]=3 484 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [2,0,0,0,0,0|0,0,1]=3 485 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [2,0,0,0,0,0|0,0,1]=3 486 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [2,0,0,0,0,0|0,0,1]=3 487 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [2,0,0,0,0,0|0,0,1]=3 488 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [2,0,0,0,0,0|0,0,1]=3 489 B9R1.6 c1ccc(cc1)C(=S)N A12973 [2,0,0,0,0,0|1,1,0]=4 490 B9R1.6 c1ccc(cc1)C(=S)O B24458 [2,0,0,0,0,0|0,1,0]=3 491 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [2,0,0,0,0,0|0,1,1]=4 492 B9R1.6 c1ccc(cc1)P(=O)O A17453 [2,0,0,0,0,0|1,0,0]=3 493 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [2,0,0,0,0,0|1,0,1]=4 494 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [2,0,0,0,0,0|1,0,1]=4 495 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [2,0,0,0,0,0|1,0,1]=4 496 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [2,0,0,0,0,0|1,0,1]=4 497 B9R1.6 c1ccnc(c1)C(=O)N A15410 [2,0,0,0,0,0|2,0,0]=4 498 B9R1.6 c1ccnc(c1)C(=O)O A14749 [2,0,0,0,0,0|1,0,0]=3 499 B9R1.6 c1cnc(cn1)C(=O)O A13363 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.6 c1cnc(nc1)C(=O)O H54745 [2,0,0,0,0,0|2,0,0]=4 501 B9R1.6 c1cnccc1C(=O)Cl A10863 [2,0,0,0,0,0|2,0,0]=4 502 B9R1.6 c1cnccc1C(=O)N A18190 [2,0,0,0,0,0|2,0,0]=4 503 B9R1.6 c1cnccc1C(=O)O A18109 [2,0,0,0,0,0|1,0,0]=3 504 B9R1.6 c1cncnc1C(=O)O H60022 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.6 c1cnncc1C(=O)O H27246 [2,0,0,0,0,0|2,0,0]=4 506 B11R1.1 CCCCc1ccc(cc1)O A12812 [1,1,0,0,0,0|1,0,1]=4 507 B11R1.1 CCCOc1ccc(cc1)O B22266 [1,1,0,0,0,0|1,0,1]=4 508 B11R1.1 COCCc1ccc(cc1)O B23548 [1,1,0,0,0,0|0,0,1]=3 509 B11R1.20 CC(=O)Cc1ccc(cc1)O A18936 [1,1,0,0,0,0|1,0,1]=4 510 B11R1.20 CC(=O)Nc1ccc(cc1)O A11240 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.83 CCOc1ccc(cc1)CO A10331 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.83 CNCc1ccc(cc1)OC H55776 [1,1,0,0,0,0|1,0,1]=4 513 B11R1.83 COc1ccc(cc1)CON H63312 [1,1,0,0,0,0|1,0,1]=4 514 B11R1.83 C\C=C\c1ccc(cc1)OC A13482 [1,1,0,0,0,0|1,0,0]=3 515 B11R1.192 c1cc(c(cc1\C=N\O)O)O L17766 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.3 B(c1ccc(cc1)CO)(O)O L15194 [1,1,0,0,0,0|1,0,1]=4 517 B11R1.3 B(c1ccc(cc1)OC)(O)O A14462 [1,1,0,0,0,0|1,0,1]=4 518 B11R1.3 C#Cc1ccc(cc1)C(=O)[O-] L19292 [1,1,0,0,0,0|1,0,1]=4 519 B11R1.3 C=Cc1ccc(cc1)C(=O)O A11107 [1,1,0,0,0,0|1,0,0]=3 520 B11R1.3 CC(=O)c1ccc(cc1)C#N A14271 [1,1,0,0,0,0|1,0,0]=3 521 B11R1.3 CC(=O)c1ccc(cc1)NC H55301 [1,1,0,0,0,0|1,0,0]=3 522 B11R1.3 CC(=O)c1ccc(cc1)OC A11162 [1,1,0,0,0,0|0,0,0]=2 523 B11R1.3 CC(=O)c1ccc(cc1)SC L18074 [1,1,0,0,0,0|0,1,0]=3 524 B11R1.3 CC(C)c1ccc(cc1)CO A12172 [1,1,0,0,0,0|1,0,1]=4 525 B11R1.3 CC(C)c1ccc(cc1)OC A16970 [1,1,0,0,0,0|1,0,1]=4 526 B11R1.3 CC(C)c1ccc(cc1)OO L06866 [1,1,0,0,0,0|1,0,1]=4 527 B11R1.3 CC(c1ccc(cc1)OC)O L12062 [1,1,0,0,0,0|0,0,2]=4 528 B11R1.3 CCc1ccc(cc1)C(=O)C B21557 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.3 CCc1ccc(cc1)C(=O)Cl A11698 [1,1,0,0,0,0|2,0,0]=4 530 B11R1.3 CCc1ccc(cc1)C(=O)N L08339 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.3 CCc1ccc(cc1)C(=O)O A10235 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.3 CNc1ccc(cc1)C(=O)O A12426 [1,1,0,0,0,0|1,0,0]=3 533 B11R1.3 COc1ccc(cc1)C(=O)Cl L13120 [1,1,0,0,0,0|1,0,0]=3 534 B11R1.3 COc1ccc(cc1)C(=O)N B22614 [1,1,0,0,0,0|1,0,0]=3 535 B11R1.3 COc1ccc(cc1)C(=O)O A15697 [1,1,0,0,0,0|0,0,0]=2 536 B11R1.3 COc1ccc(cc1)C(=S)N L10945 [1,1,0,0,0,0|1,1,0]=4 537 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] A19152 [1,1,0,0,0,0|1,0,1]=4 538 B11R1.3 COc1cnc(cn1)C(=O)O H66826 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.3 CSc1ccc(cc1)C(=O)O B25706 [1,1,0,0,0,0|0,1,0]=3 540 B11R1.3 C[C@@H](c1ccc(cc1)OC)N L16322 [1,1,0,0,0,0|1,0,1]=4 541 B11R1.3 C[C@H](c1ccc(cc1)OC)N L16321 [1,1,0,0,0,0|1,0,1]=4 542 B11R1.3 c1cc(ccc1C#N)C(=O)Cl B24333 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.3 c1cc(ccc1C#N)C(=O)N B25600 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.3 c1cc(ccc1C#N)C(=O)O A15434 [1,1,0,0,0,0|1,0,0]=3 545 B11R1.3 c1cc(ccc1C(=O)O)NN A13874 [1,1,0,0,0,0|1,0,0]=3 546 B11R1.3 c1cc(ccc1C(=O)O)NN B20326 [1,1,0,0,0,0|1,0,0]=3 547 B11R1.3 c1cc(ccc1C=O)C(=O)O A15277 [1,1,0,0,0,0|0,0,1]=3 548 B11R1.3 c1cc(ccc1CBr)C(=O)Br H37682 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.3 c1cc(ccc1CBr)C(=O)O L03371 [1,1,0,0,0,0|1,0,0]=3 550 B11R1.3 c1cc(ccc1CCl)C(=O)O B22275 [1,1,0,0,0,0|1,0,0]=3 551 B11R1.3 c1cc(ccc1CN)C(=O)O B23519 [1,1,0,0,0,0|1,0,0]=3 552 B11R1.3 c1cc(ccc1CO)C(=O)O B22183 [1,1,0,0,0,0|0,0,0]=2 553 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] A15742 [1,1,0,0,0,0|1,0,1]=4 554 B11R1.3 c1cc(ncc1C#N)C(=O)O H33722 [1,1,0,0,0,0|2,0,0]=4 555 B11R1.3 c1cc(ncc1C(=O)O)C#N L17127 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.19 CC(C)(C)c1ccc(cc1)O A15871 [1,1,0,0,0,0|1,0,1]=4 557 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br A11427 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl A15429 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.19 CS(=O)(=O)c1ccc(cc1)F A12863 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.19 CS(=O)(=O)c1ccc(cc1)N B23202 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.19 CS(=O)(=O)c1ccc(cc1)N H64697 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.19 CS(=O)(=O)c1ccc(cc1)O H32935 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C A11531 [1,1,0,0,0,0|2,0,0]=4 564 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 36506 [1,1,0,0,0,0|2,0,0]=4 565 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 44002 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O A14119 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O B23279 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O H52410 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O H52729 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O H56018 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O L09001 [1,1,0,0,0,0|2,0,0]=4 572 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O L19755 [1,1,0,0,0,0|2,0,0]=4 573 B11R1.19 c1cc(ccc1N)S(=O)(=O)O 41540 [1,1,0,0,0,0|2,0,0]=4 574 B11R1.19 c1cc(ccc1N)S(=O)(=O)O A15825 [1,1,0,0,0,0|2,0,0]=4 575 B11R1.19 c1cc(ccc1N)[As](=O)(O)O B24595 [1,1,0,0,0,0|2,0,0]=4 576 B11R1.19 c1cc(ccc1O)S(=O)(=O)O H59917 [1,1,0,0,0,0|1,0,0]=3 577 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] A14808 [1,1,0,0,0,0|1,0,1]=4 578 B11R1.21 B(c1ccc(c(c1)F)O)(O)O H53110 [1,1,0,0,0,0|1,0,1]=4 579 B11R1.21 CC(=O)c1ccc(c(c1)Br)F B22091 [1,1,0,0,0,0|1,0,0]=3 580 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl A13568 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F A15158 [1,1,0,0,0,0|1,0,0]=3 582 B11R1.21 CC(=O)c1ccc(c(c1)F)Br H62040 [1,1,0,0,0,0|1,0,0]=3 583 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl H26373 [1,1,0,0,0,0|1,0,0]=3 584 B11R1.21 CC(=O)c1ccc(c(c1)F)F A15832 [1,1,0,0,0,0|1,0,0]=3 585 B11R1.21 CC(=O)c1ccc(c(c1)F)O L19892 [1,1,0,0,0,0|0,0,0]=2 586 B11R1.21 CC(=O)c1ccc(c(c1)O)F H32965 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.21 Cc1cc(ccc1Br)C(=O)Cl L16157 [1,1,0,0,0,0|2,0,0]=4 588 B11R1.21 Cc1cc(ccc1Br)C(=O)N L16176 [1,1,0,0,0,0|2,0,0]=4 589 B11R1.21 Cc1cc(ccc1Br)C(=O)O A14302 [1,1,0,0,0,0|1,0,0]=3 590 B11R1.21 Cc1cc(ccc1Cl)C(=O)C L06011 [1,1,0,0,0,0|1,0,0]=3 591 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl H66109 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.21 Cc1cc(ccc1Cl)C(=O)O L08533 [1,1,0,0,0,0|1,0,0]=3 593 B11R1.21 Cc1cc(ccc1F)C(=O)C H32499 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.21 Cc1cc(ccc1F)C(=O)Cl B23188 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.21 Cc1cc(ccc1F)C(=O)O B24112 [1,1,0,0,0,0|1,0,0]=3 596 B11R1.21 Cc1cc(ccc1N)C(=O)O B24579 [1,1,0,0,0,0|1,0,0]=3 597 B11R1.21 Cc1cc(ccc1O)C(=O)C A18540 [1,1,0,0,0,0|0,0,0]=2 598 B11R1.21 Cc1cc(ccc1O)C(=O)O H27792 [1,1,0,0,0,0|0,0,0]=2 599 B11R1.21 Cc1ccc(cc1Br)C(=O)O A11496 [1,1,0,0,0,0|1,0,0]=3 600 B11R1.21 Cc1ccc(cc1C)C(=O)C A12187 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.21 Cc1ccc(cc1C)C(=O)N A11995 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.21 Cc1ccc(cc1C)C(=O)O A19260 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.21 Cc1ccc(cc1Cl)C(=O)O B21228 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.21 Cc1ccc(cc1F)C(=O)C B24108 [1,1,0,0,0,0|1,0,0]=3 605 B11R1.21 Cc1ccc(cc1F)C(=O)Cl B22846 [1,1,0,0,0,0|2,0,0]=4 606 B11R1.21 Cc1ccc(cc1F)C(=O)O A12981 [1,1,0,0,0,0|1,0,0]=3 607 B11R1.21 Cc1ccc(cc1I)C(=O)O A14197 [1,1,0,0,0,0|1,0,0]=3 608 B11R1.21 Cc1ccc(cc1N)C(=O)N B25367 [1,1,0,0,0,0|2,0,0]=4 609 B11R1.21 Cc1ccc(cc1N)C(=O)O A12674 [1,1,0,0,0,0|1,0,0]=3 610 B11R1.21 Cc1ccc(cc1O)C(=O)O B21501 [1,1,0,0,0,0|1,0,0]=3 611 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O H32384 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O B25586 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O A15737 [1,1,0,0,0,0|1,0,0]=3 614 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl A17006 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F B20217 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F L08188 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.21 c1cc(c(cc1C(=O)N)Br)F H59709 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl A13878 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F A14392 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.21 c1cc(c(cc1C(=O)N)F)Br H59993 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.21 c1cc(c(cc1C(=O)N)F)F A19957 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl B25294 [1,1,0,0,0,0|2,0,0]=4 623 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl L19244 [1,1,0,0,0,0|1,0,0]=3 624 B11R1.21 c1cc(c(cc1C(=O)O)Br)F B24711 [1,1,0,0,0,0|1,0,0]=3 625 B11R1.21 c1cc(c(cc1C(=O)O)Br)O B21338 [1,1,0,0,0,0|0,0,0]=2 626 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br H27252 [1,1,0,0,0,0|1,0,0]=3 627 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl A15873 [1,1,0,0,0,0|1,0,0]=3 628 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F A12814 [1,1,0,0,0,0|1,0,0]=3 629 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N H55590 [1,1,0,0,0,0|1,0,0]=3 630 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O A12134 [1,1,0,0,0,0|0,0,0]=2 631 B11R1.21 c1cc(c(cc1C(=O)O)F)Br B25475 [1,1,0,0,0,0|1,0,0]=3 632 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl H26161 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.21 c1cc(c(cc1C(=O)O)F)F A15876 [1,1,0,0,0,0|1,0,0]=3 634 B11R1.21 c1cc(c(cc1C(=O)O)F)I H61724 [1,1,0,0,0,0|1,0,0]=3 635 B11R1.21 c1cc(c(cc1C(=O)O)F)N H26092 [1,1,0,0,0,0|1,0,0]=3 636 B11R1.21 c1cc(c(cc1C(=O)O)F)O B22160 [1,1,0,0,0,0|0,0,0]=2 637 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl H33513 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.21 c1cc(c(cc1C(=O)O)I)F H33762 [1,1,0,0,0,0|1,0,0]=3 639 B11R1.21 c1cc(c(cc1C(=O)O)I)N H32263 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.21 c1cc(c(cc1C(=O)O)N)Br H60627 [1,1,0,0,0,0|1,0,0]=3 641 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl A12671 [1,1,0,0,0,0|1,0,0]=3 642 B11R1.21 c1cc(c(cc1C(=O)O)N)F H61233 [1,1,0,0,0,0|1,0,0]=3 643 B11R1.21 c1cc(c(cc1C(=O)O)N)N A14213 [1,1,0,0,0,0|1,0,0]=3 644 B11R1.21 c1cc(c(cc1C(=O)O)N)O A13487 [1,1,0,0,0,0|0,0,0]=2 645 B11R1.21 c1cc(c(cc1C(=O)O)O)F B25340 [1,1,0,0,0,0|1,0,0]=3 646 B11R1.21 c1cc(c(cc1C(=O)O)O)I H27502 [1,1,0,0,0,0|1,0,0]=3 647 B11R1.21 c1cc(c(cc1C(=O)O)O)N A10207 [1,1,0,0,0,0|1,0,0]=3 648 B11R1.21 c1cc(c(cc1C(=O)O)O)O B24016 [1,1,0,0,0,0|0,0,0]=2 649 B11R1.21 c1cc(c(cc1C(=S)N)O)O H54875 [1,1,0,0,0,0|1,1,0]=4 650 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)O B21561 [1,1,0,0,0,0|1,0,1]=4 651 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)O A13134 [1,1,0,0,0,0|1,0,1]=4 652 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O A13964 [1,1,0,0,0,0|1,0,1]=4 653 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O A12122 [1,1,0,0,0,0|1,0,1]=4 654 B11R1.21 c1cc(nc(c1Cl)Cl)C(=O)O H64320 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O H64734 [1,1,0,0,0,0|2,0,0]=4 656 B11R1.166 B(c1ccc(cc1C)O)(O)O H53068 [1,1,0,0,0,0|1,0,1]=4 657 B11R1.166 CC(=O)c1ccc(cc1Br)Br H61181 [1,1,0,0,0,0|1,0,0]=3 658 B11R1.166 CC(=O)c1ccc(cc1Br)F L19320 [1,1,0,0,0,0|1,0,0]=3 659 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl A14428 [1,1,0,0,0,0|1,0,0]=3 660 B11R1.166 CC(=O)c1ccc(cc1Cl)F L19880 [1,1,0,0,0,0|1,0,0]=3 661 B11R1.166 CC(=O)c1ccc(cc1F)Br H62127 [1,1,0,0,0,0|1,0,0]=3 662 B11R1.166 CC(=O)c1ccc(cc1F)F A13420 [1,1,0,0,0,0|1,0,0]=3 663 B11R1.166 CC(=O)c1ccc(cc1F)O A19884 [1,1,0,0,0,0|0,0,0]=2 664 B11R1.166 CC(=O)c1ccc(cc1O)Br H61137 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.166 CC(=O)c1ccc(cc1O)Cl H27309 [1,1,0,0,0,0|1,0,0]=3 666 B11R1.166 CC(=O)c1ccc(cc1O)F A16030 [1,1,0,0,0,0|1,0,0]=3 667 B11R1.166 CC(=O)c1ccc(cc1O)O A12066 [1,1,0,0,0,0|0,0,0]=2 668 B11R1.166 Cc1cc(c(cn1)C(=O)O)O H66499 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.166 Cc1cc(ccc1C(=O)C)F H26823 [1,1,0,0,0,0|1,0,0]=3 670 B11R1.166 Cc1cc(ccc1C(=O)O)Br L03071 [1,1,0,0,0,0|1,0,0]=3 671 B11R1.166 Cc1cc(ccc1C(=O)O)Cl H27262 [1,1,0,0,0,0|1,0,0]=3 672 B11R1.166 Cc1cc(ccc1C(=O)O)F H26801 [1,1,0,0,0,0|1,0,0]=3 673 B11R1.166 Cc1cc(ccc1C(=O)O)N H31657 [1,1,0,0,0,0|1,0,0]=3 674 B11R1.166 Cc1cc(ccc1C(=O)O)O H60810 [1,1,0,0,0,0|0,0,0]=2 675 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O L03163 [1,1,0,0,0,0|1,0,1]=4 676 B11R1.166 Cc1cc(cnc1C(=O)O)Br H64220 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [1,1,0,0,0,0|1,0,0]=3 678 B11R1.166 Cc1ccc(c(c1)C)C(=O)C A12992 [1,1,0,0,0,0|1,0,0]=3 679 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl H50387 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.166 Cc1ccc(c(c1)F)C(=O)C H26695 [1,1,0,0,0,0|1,0,0]=3 682 B11R1.166 Cc1ccc(c(c1)F)C(=O)Cl H31292 [1,1,0,0,0,0|2,0,0]=4 683 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [1,1,0,0,0,0|1,0,0]=3 684 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [1,1,0,0,0,0|1,0,0]=3 685 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O A13857 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.166 Cc1ccc(c(n1)O)C(=O)O A11842 [1,1,0,0,0,0|2,0,0]=4 687 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl H61381 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.166 c1c(cnc(c1F)C(=O)O)Br H64466 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.166 c1c(cnc(c1F)C(=O)O)F L20324 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O H32008 [1,1,0,0,0,0|1,0,0]=3 691 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O A11527 [1,1,0,0,0,0|1,0,0]=3 692 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl L20142 [1,1,0,0,0,0|2,0,0]=4 693 B11R1.166 c1cc(c(cc1Br)F)C(=O)N H52336 [1,1,0,0,0,0|2,0,0]=4 694 B11R1.166 c1cc(c(cc1Br)F)C(=O)O B20118 [1,1,0,0,0,0|1,0,0]=3 695 B11R1.166 c1cc(c(cc1Br)N)C(=O)O H55829 [1,1,0,0,0,0|1,0,0]=3 696 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O H59777 [1,1,0,0,0,0|1,0,0]=3 697 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl B20815 [1,1,0,0,0,0|2,0,0]=4 698 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N A15915 [1,1,0,0,0,0|2,0,0]=4 699 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O A12372 [1,1,0,0,0,0|1,0,0]=3 700 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O B25277 [1,1,0,0,0,0|1,0,0]=3 701 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O A10201 [1,1,0,0,0,0|1,0,0]=3 702 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O B22520 [1,1,0,0,0,0|1,0,0]=3 703 B11R1.166 c1cc(c(cc1F)Br)C(=O)N H62497 [1,1,0,0,0,0|2,0,0]=4 704 B11R1.166 c1cc(c(cc1F)Br)C(=O)O L19321 [1,1,0,0,0,0|1,0,0]=3 705 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl B23439 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O A14953 [1,1,0,0,0,0|1,0,0]=3 707 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl A17920 [1,1,0,0,0,0|2,0,0]=4 708 B11R1.166 c1cc(c(cc1F)F)C(=O)N A10375 [1,1,0,0,0,0|2,0,0]=4 709 B11R1.166 c1cc(c(cc1F)F)C(=O)O A13403 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.166 c1cc(c(cc1F)I)C(=O)O H55531 [1,1,0,0,0,0|1,0,0]=3 711 B11R1.166 c1cc(c(cc1F)N)C(=O)O B21907 [1,1,0,0,0,0|1,0,0]=3 712 B11R1.166 c1cc(c(cc1F)O)C(=O)O B24992 [1,1,0,0,0,0|1,0,0]=3 713 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O A10116 [1,1,0,0,0,0|1,0,0]=3 714 B11R1.166 c1cc(c(cc1N)F)C(=O)O H26146 [1,1,0,0,0,0|1,0,0]=3 715 B11R1.166 c1cc(c(cc1N)O)C(=O)O B23289 [1,1,0,0,0,0|1,0,0]=3 716 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] A14350 [1,1,0,0,0,0|1,0,1]=4 717 B11R1.166 c1cc(c(cc1O)O)C(=O)O A13545 [1,1,0,0,0,0|0,0,0]=2 718 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl L20002 [1,1,0,0,0,0|2,0,0]=4 719 B11R1.166 c1cc(nc(c1C(=O)O)F)Cl H66484 [1,1,0,0,0,0|2,0,0]=4 720 B11R1.7 CCS(=O)(=O)c1ccccc1 A10710 [1,1,0,0,0,0|2,0,0]=4 721 B11R1.7 CNS(=O)(=O)c1ccccc1 H55666 [1,1,0,0,0,0|2,0,0]=4 722 B11R1.7 COP(=O)(C)c1ccccc1 A18760 [1,1,0,0,0,0|1,0,0]=3 723 B11R1.7 COS(=O)(=O)c1ccccc1 B24515 [1,1,0,0,0,0|1,0,0]=3 724 B11R1.7 CO[Si](C)(C)c1ccccc1 H27165 [1,1,0,0,0,0|1,1,0]=4 725 B11R1.12 COC(c1ccccc1)OC A11009 [1,1,0,0,0,0|0,0,2]=4 726 B11R1.12 COP(c1ccccc1)OC A14006 [1,1,0,0,0,0|1,0,1]=4 727 B11R1.12 CO[C@@H](CO)c1ccccc1 L14044 [1,1,0,0,0,0|0,0,2]=4 728 B11R1.12 C\C=C(\C=O)/c1ccccc1 A14185 [1,1,0,0,0,0|1,0,0]=3 729 B11R1.16 C=COC(=O)c1ccccc1 B21805 [1,1,0,0,0,0|0,0,1]=3 730 B11R1.16 CCCC(=O)c1ccccc1 A11345 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.16 CCOC(=N)c1ccccc1 L17684 [1,1,0,0,0,0|1,0,0]=3 732 B11R1.16 CCOC(=O)c1ccccc1 44283 [1,1,0,0,0,0|0,0,0]=2 733 B11R1.16 CCOC(=O)c1ccccc1 A13057 [1,1,0,0,0,0|0,0,0]=2 734 B11R1.16 CCOC(=O)c1ccccn1 A13973 [1,1,0,0,0,0|1,0,0]=3 735 B11R1.16 CCOC(=O)c1cccnc1 L03215 [1,1,0,0,0,0|1,0,0]=3 736 B11R1.16 CCOC(=O)c1ccncc1 L03010 [1,1,0,0,0,0|1,0,0]=3 737 B11R1.16 CCOC(=O)c1ccncn1 H64662 [1,1,0,0,0,0|2,0,0]=4 738 B11R1.16 c1ccc(cc1)C(=O)CC#N A14473 [1,1,0,0,0,0|1,0,1]=4 739 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [1,1,0,0,0,0|1,0,0]=3 740 B11R1.16 c1ccc(cc1)C(=O)N=C=O A11583 [1,1,0,0,0,0|1,0,1]=4 741 B11R1.16 c1ccc(cc1)C(=O)N=C=S L06964 [1,1,0,0,0,0|1,0,1]=4 742 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [1,1,0,0,0,0|1,0,0]=3 743 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [1,1,0,0,0,0|0,1,0]=3 744 B11R1.16 c1ccc(cc1)C(=O)\C=N\O L02098 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.23 CCC(=O)c1cccc(c1)Br A16757 [1,1,0,0,0,0|1,0,0]=3 746 B11R1.23 CCC(=O)c1cccc(c1)Cl A12542 [1,1,0,0,0,0|1,0,0]=3 747 B11R1.23 CCC(=O)c1cccc(c1)F L11922 [1,1,0,0,0,0|1,0,0]=3 748 B11R1.23 CNC(=O)c1cc(ccn1)Cl H50535 [1,1,0,0,0,0|2,0,0]=4 749 B11R1.23 CNC(=O)c1cccc(c1)Cl H56565 [1,1,0,0,0,0|1,0,0]=3 750 B11R1.23 CNC(=O)c1ccnc(c1)Cl H57458 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.23 COC(=O)c1cc(ccn1)Br H64327 [1,1,0,0,0,0|1,0,0]=3 752 B11R1.23 COC(=O)c1cc(ccn1)Cl H60532 [1,1,0,0,0,0|1,0,0]=3 753 B11R1.23 COC(=O)c1cc(cnc1)Br B20908 [1,1,0,0,0,0|1,0,0]=3 754 B11R1.23 COC(=O)c1cccc(c1)Br A16174 [1,1,0,0,0,0|0,0,0]=2 755 B11R1.23 COC(=O)c1cccc(c1)Cl B21371 [1,1,0,0,0,0|0,0,0]=2 756 B11R1.23 COC(=O)c1cccc(c1)N A14766 [1,1,0,0,0,0|0,0,0]=2 757 B11R1.23 COC(=O)c1cccc(c1)O A14425 [1,1,0,0,0,0|0,0,0]=2 758 B11R1.23 COC(=O)c1cccc(n1)Cl H64023 [1,1,0,0,0,0|1,0,0]=3 759 B11R1.23 COC(=O)c1ccnc(c1)N L19869 [1,1,0,0,0,0|1,0,0]=3 760 B11R1.23 COC(=O)c1cncc(n1)Cl H66682 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.23 Cc1cc(cnc1)C(=O)OC L16371 [1,1,0,0,0,0|1,0,0]=3 762 B11R1.23 Cc1cccc(c1)C(=O)NC H56299 [1,1,0,0,0,0|1,0,0]=3 763 B11R1.23 Cc1cccc(c1)C(=O)NN L01043 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.23 Cc1cccc(c1)C(=O)OC A10893 [1,1,0,0,0,0|0,0,0]=2 765 B11R1.23 Cc1cccc(n1)C(=O)OC H33571 [1,1,0,0,0,0|1,0,0]=3 766 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr A15210 [1,1,0,0,0,0|2,0,0]=4 767 B11R1.23 c1cc(cc(c1)Br)C(=O)NN A19628 [1,1,0,0,0,0|2,0,0]=4 768 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr H66077 [1,1,0,0,0,0|2,0,0]=4 769 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN L01071 [1,1,0,0,0,0|2,0,0]=4 770 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO L00286 [1,1,0,0,0,0|1,0,0]=3 771 B11R1.23 c1cc(cc(c1)F)C(=O)C=O L20278 [1,1,0,0,0,0|2,0,0]=4 772 B11R1.23 c1cc(cc(c1)N)C(=O)NN A11491 [1,1,0,0,0,0|2,0,0]=4 773 B11R1.23 c1cc(cc(c1)O)C(=O)NN L04357 [1,1,0,0,0,0|2,0,0]=4 774 B11R1.36 CC(C(=O)c1ccccc1)Br A10661 [1,1,0,0,0,0|1,0,0]=3 775 B11R1.36 CC(C)C(=O)c1ccccc1 B24628 [1,1,0,0,0,0|1,0,0]=3 776 B11R1.36 CN(C)C(=O)c1ccccc1 A18766 [1,1,0,0,0,0|1,0,0]=3 777 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl B23475 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.36 c1ccc(cc1)C(=O)C(F)F H25750 [1,1,0,0,0,0|2,0,0]=4 780 B11R1.222 CCC(=O)c1ccccc1F L12423 [1,1,0,0,0,0|1,0,0]=3 781 B11R1.222 CCC(=O)c1ccccc1O B25442 [1,1,0,0,0,0|1,0,0]=3 782 B11R1.222 CNC(=O)c1ccccc1Br H50583 [1,1,0,0,0,0|1,0,0]=3 783 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [1,1,0,0,0,0|1,0,0]=3 784 B11R1.222 CNC(=O)c1ccccc1F H56104 [1,1,0,0,0,0|1,0,0]=3 785 B11R1.222 CNC(=O)c1cccnc1Cl H57963 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.222 COC(=O)c1c(nccn1)Br H63515 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.222 COC(=O)c1c(nccn1)Cl H64508 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.222 COC(=O)c1c(nccn1)N H29172 [1,1,0,0,0,0|2,0,0]=4 789 B11R1.222 COC(=O)c1ccccc1Br A12435 [1,1,0,0,0,0|0,0,0]=2 790 B11R1.222 COC(=O)c1ccccc1Cl A11237 [1,1,0,0,0,0|0,0,0]=2 791 B11R1.222 COC(=O)c1ccccc1F A16133 [1,1,0,0,0,0|0,0,0]=2 792 B11R1.222 COC(=O)c1ccccc1I A13204 [1,1,0,0,0,0|0,0,0]=2 793 B11R1.222 COC(=O)c1ccccc1N A15681 [1,1,0,0,0,0|0,0,0]=2 794 B11R1.222 COC(=O)c1ccccc1O A10578 [1,1,0,0,0,0|0,0,0]=2 795 B11R1.222 COC(=O)c1ccccc1S H28400 [1,1,0,0,0,0|0,0,0]=2 796 B11R1.222 COC(=O)c1cccnc1Cl H64798 [1,1,0,0,0,0|1,0,0]=3 797 B11R1.222 COC(=O)c1cccnc1N H50013 [1,1,0,0,0,0|1,0,0]=3 798 B11R1.222 COC(=O)c1cccnc1O H33334 [1,1,0,0,0,0|1,0,0]=3 799 B11R1.222 COC(=O)c1cccoc1=O H25932 [1,1,0,0,0,0|1,0,0]=3 800 B11R1.222 COC(=O)c1ccncc1N H34007 [1,1,0,0,0,0|1,0,0]=3 801 B11R1.222 COC(=O)c1cnccc1N B25324 [1,1,0,0,0,0|1,0,0]=3 802 B11R1.222 Cc1c(cccn1)C(=O)OC L09074 [1,1,0,0,0,0|1,0,0]=3 803 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [1,1,0,0,0,0|2,0,0]=4 804 B11R1.222 Cc1ccccc1C(=O)NN L00668 [1,1,0,0,0,0|2,0,0]=4 805 B11R1.222 Cc1ccccc1C(=O)OC A15695 [1,1,0,0,0,0|0,0,0]=2 806 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl H27303 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.222 c1ccc(c(c1)C(=O)CBr)F H34179 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.222 c1ccc(c(c1)C(=O)NN)Br L00937 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl A11361 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.222 c1ccc(c(c1)C(=O)NN)F B24921 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.222 c1ccc(c(c1)C(=O)NN)N A10805 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.222 c1ccc(c(c1)C(=O)NO)O A11528 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.15 CCOC(=O)c1ccc(o1)Br H52343 [0,1,0,0,1,0|2,0,0]=4 816 B11R1.15 CCOC(=O)c1ccc(s1)Br B22355 [0,1,0,0,1,0|2,0,0]=4 817 B11R1.15 CCOC(=O)c1ccc(s1)Cl L06385 [0,1,0,0,1,0|2,0,0]=4 818 B11R1.44 COC(=O)c1cc(sc1)C=O H27597 [0,1,0,0,1,0|1,0,1]=4 819 B11R1.225 COC(=O)c1cc(sc1Cl)Cl L08118 [0,1,0,0,1,0|2,0,0]=4 820 B11R1.225 Cc1cc(c([nH]1)C)C(=O)OC A19980 [0,1,0,0,1,0|2,0,0]=4 821 B11R1.225 Cc1cc(c(s1)C(=O)OC)N H63719 [0,1,0,0,1,0|2,0,0]=4 822 B11R1.226 COC(=O)c1cc(c(s1)Br)Br H32113 [0,1,0,0,1,0|2,0,0]=4 823 B11R1.865 COC(=O)c1c(c(cs1)Br)O B20249 [0,1,0,0,1,0|2,0,0]=4 824 B11R1.865 Cc1csc(c1N)C(=O)OC A10115 [0,1,0,0,1,0|2,0,0]=4 825 B13R1.5 CCC(=O)Oc1ccc(cc1)C=O L08732 [0,1,0,0,0,1|1,0,1]=4 826 B13R1.5 COc1ccc(cc1)CC(=O)OC A17940 [0,1,0,0,0,1|0,0,0]=2 827 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br B22165 [0,1,0,0,0,1|1,0,0]=3 828 B13R1.19 CCOC(=O)Cc1ccc(cc1)C A16718 [0,1,0,0,0,1|1,0,0]=3 829 B13R1.19 CCOC(=O)Cc1ccc(cc1)N A11529 [0,1,0,0,0,1|1,0,0]=3 830 B13R1.19 CCOC(=O)Cc1ccc(cc1)O B21832 [0,1,0,0,0,1|0,0,0]=2 831 B13R1.21 COC(=O)C(c1ccc(cc1)Cl)Br H64969 [0,1,0,0,0,1|1,0,0]=3 832 B13R1.21 COC(=O)[C@@H](c1ccc(cc1)O)N H65601 [0,1,0,0,0,1|0,0,0]=2 833 B13R1.133 CN(C)C(=O)Nc1ccc(cc1)Cl L13455 [0,1,0,0,0,1|2,0,0]=4 834 B13R1.2679 COC(=O)Cc1ccc(cc1F)Br H62482 [0,1,0,0,0,1|1,0,0]=3 835 B13R1.2879 COC(=O)Cc1ccc(c(c1)Cl)Cl B21518 [0,1,0,0,0,1|1,0,0]=3 836 B13R1.36 CN(C)C(=O)c1ccc(cc1)OC H59675 [0,2,0,0,0,0|1,0,0]=3 837 B13R1.39 COc1ccc(cc1)C(OC)OC A15793 [0,2,0,0,0,0|0,0,2]=4 838 B13R1.95 COc1ccc(c(c1)O)C(=O)OC L03855 [0,2,0,0,0,0|0,0,0]=2 839 B13R1.139 CCOc1ccc(cc1)C(=O)NN L05433 [0,2,0,0,0,0|2,0,0]=4 840 B13R1.139 CCOc1ccc(cc1)C(=O)OC A17980 [0,2,0,0,0,0|0,0,0]=2 841 B13R1.139 COC(=O)c1ccc(cc1)N=C=S L10474 [0,2,0,0,0,0|0,1,0]=3 842 B13R1.187 COc1ccc(cc1)[Si](C)(C)OC H28625 [0,2,0,0,0,0|1,1,0]=4 843 B13R1.452 CCCC(=O)c1ccc(cc1)OC A11737 [0,2,0,0,0,0|1,0,0]=3 844 B13R1.452 CCNC(=O)c1ccc(cc1)OC H59924 [0,2,0,0,0,0|1,0,0]=3 845 B13R1.452 CCOC(=O)c1ccc(cc1)CBr L19219 [0,2,0,0,0,0|1,0,0]=3 846 B13R1.452 CCOC(=O)c1ccc(cc1)OC A14008 [0,2,0,0,0,0|0,0,0]=2 847 B13R1.452 COc1ccc(cc1)C(=O)CC#N A15973 [0,2,0,0,0,0|1,0,1]=4 848 B13R1.537 B(c1ccc(cc1)C(=O)NC)(O)O H53090 [0,2,0,0,0,0|1,0,0]=3 849 B13R1.537 B(c1ccc(cc1)C(=O)NN)(O)O H53017 [0,2,0,0,0,0|2,0,0]=4 850 B13R1.537 B(c1ccc(cc1)C(=O)OC)(O)O H27627 [0,2,0,0,0,0|0,0,0]=2 851 B13R1.537 CC(=O)c1ccc(cc1)C(=O)OC B21626 [0,2,0,0,0,0|0,0,1]=3 852 B13R1.537 CN(C)c1ccc(cc1)C(=O)OC A12057 [0,2,0,0,0,0|1,0,0]=3 853 B13R1.537 COC(=O)c1ccc(cc1)C(=O)Cl H54688 [0,2,0,0,0,0|0,0,1]=3 854 B13R1.537 COC(=O)c1ccc(cc1)C(=O)O H54391 [0,2,0,0,0,0|0,0,0]=2 855 B13R1.537 COC(=O)c1ccc(cc1)[N+](=O)[O-] A12928 [0,2,0,0,0,0|0,0,1]=3 856 B13R1.3088 COC(=O)c1ccc(c(c1)Br)CO H66876 [0,2,0,0,0,0|0,0,0]=2 857 B13R1.3088 COc1ccc(cc1Br)C(=O)OC H27297 [0,2,0,0,0,0|0,0,0]=2 858 B13R1.3088 COc1ccc(cc1Cl)C(=O)OC A13356 [0,2,0,0,0,0|0,0,0]=2 859 B13R1.3088 COc1ccc(cc1F)C(=O)OC H31994 [0,2,0,0,0,0|0,0,0]=2 860 B13R1.3088 COc1ccc(cc1I)C(=O)OC A10549 [0,2,0,0,0,0|0,0,0]=2 861 B13R1.3088 COc1ccc(cc1N)C(=O)OC A12052 [0,2,0,0,0,0|0,0,0]=2 862 B13R1.29 CCOS(=O)(=O)c1ccc(cc1)C B24658 [0,2,0,0,0,0|2,0,0]=4 863 B13R1.17 CCCCC(=O)c1ccc(cc1)Br B24979 [0,2,0,0,0,0|2,0,0]=4 864 B13R1.17 CCCCC(=O)c1ccc(cc1)Cl B25611 [0,2,0,0,0,0|2,0,0]=4 865 B13R1.17 CCCCC(=O)c1ccc(cc1)F B22861 [0,2,0,0,0,0|2,0,0]=4 866 B13R1.17 CCCNC(=O)c1ccc(cc1)Br H58961 [0,2,0,0,0,0|2,0,0]=4 867 B13R1.17 CCCNC(=O)c1ccc(cc1)C H57134 [0,2,0,0,0,0|2,0,0]=4 868 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl H59578 [0,2,0,0,0,0|2,0,0]=4 869 B13R1.17 CCCNC(=O)c1ccc(cc1)F H58710 [0,2,0,0,0,0|2,0,0]=4 870 B13R1.17 CCCOC(=O)c1ccc(cc1)N L09066 [0,2,0,0,0,0|1,0,0]=3 871 B13R1.17 CCCOC(=O)c1ccc(cc1)O A10180 [0,2,0,0,0,0|0,0,0]=2 872 B13R1.17 c1cc(ccc1C(=O)CCCCl)Br B24146 [0,2,0,0,0,0|2,0,0]=4 873 B13R1.17 c1cc(ccc1C(=O)CCCCl)Cl B24608 [0,2,0,0,0,0|2,0,0]=4 874 B13R1.17 c1cc(ccc1C(=O)CCCCl)F A11121 [0,2,0,0,0,0|2,0,0]=4 875 B13R1.17 c1cc(ccc1C(=O)CCCCl)O B25543 [0,2,0,0,0,0|1,0,0]=3 876 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br H57478 [0,2,0,0,0,0|2,0,0]=4 877 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl H55420 [0,2,0,0,0,0|2,0,0]=4 878 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F H57054 [0,2,0,0,0,0|2,0,0]=4 879 B13R1.132 CC(C)OC(=O)c1ccc(cc1)N A17551 [0,2,0,0,0,0|1,0,0]=3 880 B13R1.132 CC(C)OC(=O)c1ccc(cc1)O A13930 [0,2,0,0,0,0|0,0,0]=2 881 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C H56464 [0,2,0,0,0,0|2,0,0]=4 882 B13R1.466 CCOC(=O)c1ccc(c(c1)N)N A17236 [0,2,0,0,0,0|1,0,0]=3 883 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O A11001 [0,2,0,0,0,0|0,0,0]=2 884 B13R1.1511 CCOC(=O)c1ccc(cc1C)C L02759 [0,2,0,0,0,0|1,0,0]=3 885 B13R1.1511 CCOC(=O)c1ccc(cc1F)F A13177 [0,2,0,0,0,0|1,0,0]=3 886 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl H63092 [0,2,0,0,0,0|2,0,0]=4 887 B13R1.1511 CCOC(=O)c1cnc(cc1O)O H63842 [0,2,0,0,0,0|1,0,0]=3 888 B13R1.49 COc1cc(ccc1O)C(=O)NN L00868 [0,2,0,0,0,0|2,0,0]=4 889 B13R1.49 COc1cc(ccc1O)C(=O)OC B24209 [0,2,0,0,0,0|0,0,0]=2 890 B13R1.49 Cc1ccc(cc1OC)C(=O)OC B22695 [0,2,0,0,0,0|1,0,0]=3 891 B13R1.1807 CCC(=O)c1cc(c(cc1F)F)F B22761 [0,2,0,0,0,0|2,0,0]=4 892 B13R1.1807 COC(=O)c1cc(c(cc1N)F)F H64385 [0,2,0,0,0,0|1,0,0]=3 893 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)O)F B20229 [0,2,0,0,0,0|1,0,0]=3 894 B13R1.2678 COC(=O)c1cc(c(c(c1)Br)O)Br A10799 [0,2,0,0,0,0|0,0,0]=2 895 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)O L05926 [0,2,0,0,0,0|0,0,0]=2 896 B13R1.2678 Cc1c(cc(cc1Br)C(=O)OC)Br B25348 [0,2,0,0,0,0|1,0,0]=3 897 B13R1.2065 COC(=O)c1ccc(cc1CBr)Br H52350 [0,2,0,0,0,0|1,0,0]=3 898 B13R1.2065 COc1cc(ccc1C(=O)OC)Br H27773 [0,2,0,0,0,0|1,0,0]=3 899 B13R1.2065 COc1cc(ccc1C(=O)OC)F H52370 [0,2,0,0,0,0|1,0,0]=3 900 B13R1.2065 COc1cc(ccc1C(=O)OC)I B25529 [0,2,0,0,0,0|1,0,0]=3 901 B13R1.2065 COc1cc(ccc1C(=O)OC)N A13239 [0,2,0,0,0,0|1,0,0]=3 902 B13R1.4656 CCC(=O)c1c(cc(cc1F)F)F B20906 [0,2,0,0,0,0|2,0,0]=4 903 B13R1.4656 COC(=O)c1c(cc(cc1F)Br)F H52323 [0,2,0,0,0,0|1,0,0]=3 904 B13R1.4656 COC(=O)c1c(cc(cc1O)O)O A12305 [0,2,0,0,0,0|0,0,0]=2 905 B11R1.37 COc1cc(ccc1C=O)O A11127 [0,0,1,1,0,0|2,0,0]=4 906 B11R2.34 c1cc(ccc1C2CO2)Br H26818 [1,0,0,1,0,0|1,0,1]=4 907 B11R2.34 c1cc(ccc1C2CO2)Cl H26516 [1,0,0,1,0,0|1,0,1]=4 908 B11R2.34 c1cc(ccc1C2CO2)F H26600 [1,0,0,1,0,0|1,0,1]=4 909 B11R2.34 c1cc(ccc1[C@@H]2CO2)F H33603 [1,0,0,1,0,0|1,0,1]=4 910 B11R2.36 c1cc(cc2c1cc[nH]2)O H55951 [1,0,0,1,0,0|2,0,0]=4 911 B11R2.36 c1cc2c(cc1O)CCC2 L01623 [1,0,0,1,0,0|1,0,1]=4 912 B11R2.1 B1(c2ccccc2CO1)O L15192 [1,0,0,1,0,0|1,0,1]=4 913 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [1,0,0,1,0,0|2,0,0]=4 914 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [1,0,0,1,0,0|2,0,0]=4 915 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [1,0,0,1,0,0|1,0,0]=3 916 B11R2.1 c1ccc2c(c1)COC2=O A15516 [1,0,0,1,0,0|0,0,0]=2 917 B11R2.1 c1ccc2c(c1)c(=O)[nH]o2 H50899 [1,0,0,1,0,0|2,0,0]=4 918 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 H60492 [1,0,0,1,0,0|2,0,0]=4 919 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 H37968 [0,0,0,1,0,1|2,0,0]=4 920 B13R2.2130 COc1ccc2c(c1)CCC2=O L11165 [0,1,0,1,0,0|1,0,0]=3 921 B13R2.520 c1cc(ccc1C(=O)C2CC2)Cl B22766 [0,1,0,1,0,0|2,0,0]=4 922 B13R2.520 c1cc(ccc1C(=O)C2CC2)F A15852 [0,1,0,1,0,0|2,0,0]=4 923 B13R2.5179 c1cc2c(cc1Br)CCCC2=O H52381 [0,1,0,1,0,0|2,0,0]=4 924 B13R2.5179 c1cc2c(cc1Br)CN=NC2=O H65609 [0,1,0,1,0,0|2,0,0]=4 925 B13R2.5179 c1cc2c(cc1F)OCCC2=O H31881 [0,1,0,1,0,0|2,0,0]=4 926 B13R2.5179 c1cc2c(cc1N)CCCC2=O H32028 [0,1,0,1,0,0|2,0,0]=4 927 B13R2.5179 c1cc2c(cc1O)CCCC2=O H32840 [0,1,0,1,0,0|1,0,0]=3 928 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O B21352 [0,1,0,1,0,0|1,0,1]=4 929 B13R2.11642 c1c(cc(c2c1CCC2=O)Br)Br H54005 [0,1,0,1,0,0|2,0,0]=4 930 B13R2.11642 c1c(cc(c2c1CCC2=O)Cl)Cl H54007 [0,1,0,1,0,0|2,0,0]=4 931 B13R2.11642 c1c(cc(c2c1CCC2=O)F)F H54002 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.35 CC(=O)c1cc(cs1)Cl H30384 [1,0,0,0,1,0|2,0,0]=4 933 B9R1.35 CC(=O)c1ccc(s1)Br A14826 [1,0,0,0,1,0|2,0,0]=4 934 B9R1.35 CC(=O)c1ccc(s1)Cl A11850 [1,0,0,0,1,0|2,0,0]=4 935 B9R1.35 CC(=O)c1ccc(s1)I L17852 [1,0,0,0,1,0|2,0,0]=4 936 B9R1.35 Cc1cc(sc1)C(=O)C L17617 [1,0,0,0,1,0|2,0,0]=4 937 B9R1.35 Cc1ccc(o1)C(=O)C A16172 [1,0,0,0,1,0|2,0,0]=4 938 B9R1.35 Cc1ccc(s1)C(=O)C A11282 [1,0,0,0,1,0|2,0,0]=4 939 B9R1.35 Cc1ccc(s1)C(=O)O A17737 [1,0,0,0,1,0|2,0,0]=4 940 B9R1.35 c1cc(oc1C(=O)O)Br A14840 [1,0,0,0,1,0|2,0,0]=4 941 B9R1.35 c1cc(sc1C(=O)O)Br A19242 [1,0,0,0,1,0|2,0,0]=4 942 B9R1.35 c1cc(sc1C(=O)O)Cl A15209 [1,0,0,0,1,0|2,0,0]=4 943 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [1,0,0,0,1,0|2,0,0]=4 944 B9R1.11 CCC(=O)c1ccco1 H26754 [1,0,0,0,1,0|2,0,0]=4 945 B9R1.11 CCC(=O)c1cccs1 L02318 [1,0,0,0,1,0|2,0,0]=4 946 B9R1.11 COC(=O)c1c[nH]cn1 H55932 [1,0,0,0,1,0|2,0,0]=4 947 B9R1.11 COC(=O)c1cc[nH]c1 H54340 [1,0,0,0,1,0|1,0,0]=3 948 B9R1.11 COC(=O)c1cc[nH]n1 H34148 [1,0,0,0,1,0|2,0,0]=4 949 B9R1.11 COC(=O)c1ccc[nH]1 H59437 [1,0,0,0,1,0|1,0,0]=3 950 B9R1.11 COC(=O)c1ccco1 A14009 [1,0,0,0,1,0|1,0,0]=3 951 B9R1.11 COC(=O)c1cccs1 A12677 [1,0,0,0,1,0|1,0,0]=3 952 B9R1.11 COC(=O)c1ccno1 B25169 [1,0,0,0,1,0|2,0,0]=4 953 B9R1.11 COC(=O)c1ccsc1 H61488 [1,0,0,0,1,0|1,0,0]=3 954 B9R1.11 COC(=O)c1nccs1 H63496 [1,0,0,0,1,0|2,0,0]=4 955 B11R1.40 C=CC(=O)Oc1ccccc1 L11819 [1,0,0,0,0,1|1,0,1]=4 956 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [1,0,0,0,0,1|1,0,0]=3 957 B11R1.40 COC(=O)Cc1ccccc1 A15537 [1,0,0,0,0,1|0,0,0]=2 958 B11R1.40 COC(=O)Nc1cccnc1 H63484 [1,0,0,0,0,1|1,0,0]=3 959 B11R1.40 COC(=O)Oc1ccccc1 B25232 [1,0,0,0,0,1|0,0,0]=2 960 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [1,0,0,0,0,1|2,0,0]=4 961 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [1,0,0,0,0,1|2,0,0]=4 962 B13R1.14 COC(=O)CCc1ccc(cc1)Br H61546 [0,0,0,0,0,2|1,0,0]=3 963 B13R1.14 COC(=O)CCc1ccc(cc1)O H64255 [0,0,0,0,0,2|0,0,0]=2 964 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Cl A17071 [0,0,0,0,0,2|1,0,0]=3