0 B11R1.16 C=COC(=O)c1ccccc1 B21805 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.16 CCCC(=O)c1ccccc1 A11345 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.16 CCCC(C)c1ccccc1 B20114 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.16 CCC[C@@H](c1ccccc1)N H27048 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.16 CCC[C@H](c1ccccc1)N H27156 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.16 CCOC(=N)c1ccccc1 L17684 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.16 CCOC(=O)c1ccccc1 44283 [0,0,0,0,0,0|0,0,0]=0 7 B11R1.16 CCOC(=O)c1ccccc1 A13057 [0,0,0,0,0,0|0,0,0]=0 8 B11R1.16 CCOC(=O)c1ccccn1 A13973 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.16 CCOC(=O)c1cccnc1 L03215 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.16 CCOC(=O)c1ccncc1 L03010 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.16 CCOC(=O)c1ccncn1 H64662 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.16 CNCC(c1ccccc1)O L08111 [0,0,0,0,0,0|2,0,2]=4 13 B11R1.16 c1ccc(cc1)C(=O)CC#N A14473 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.16 c1ccc(cc1)C(=O)N=C=O A11583 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.16 c1ccc(cc1)C(=O)N=C=S L06964 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [0,0,0,0,0,0|1,1,0]=2 19 B11R1.16 c1ccc(cc1)C(=O)\C=N\O L02098 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O H55567 [0,0,0,0,0,0|2,0,2]=4 21 B11R1.16 c1ccc(cc1)[C@H](CCCl)O H54847 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.15 CC(CBr)c1ccccc1 L16267 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.15 CC(CN)c1ccccc1 H36338 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.15 CC(CO)c1ccccc1 B23473 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,0,0,0,0,0|0,0,0]=1 26 B10R1.15 CCC(=O)c1cccnc1 L09711 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.15 CCC(=O)c1ccncc1 L11552 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.15 CCC(C)c1ccccc1 B22962 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.15 CCC(c1ccccc1)O A10830 [1,0,0,0,0,0|0,0,2]=3 30 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,0,0,0,0,0|0,0,2]=3 32 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,0,0,0,0,0|0,0,2]=3 34 B10R1.15 CNC(=O)c1ccccc1 A18057 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.15 COC(=O)c1ccccc1 44368 [1,0,0,0,0,0|0,0,0]=1 36 B10R1.15 COC(=O)c1ccccc1 A12404 [1,0,0,0,0,0|0,0,0]=1 37 B10R1.15 COC(=O)c1ccccn1 H54530 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.15 COC(=O)c1cccnc1 B23908 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.15 COC(=O)c1ccncc1 B23263 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.15 COC(=O)c1ccnnc1 H27449 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.15 COC(=O)c1cnccn1 A12028 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.15 CSC(=N)c1ccccn1 H51786 [1,0,0,0,0,0|2,1,0]=4 43 B10R1.15 CSC(=N)c1cccnc1 H51776 [1,0,0,0,0,0|2,1,0]=4 44 B10R1.15 CSC(=N)c1ccncc1 H51774 [1,0,0,0,0,0|2,1,0]=4 45 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.15 c1cc(cnc1)C(=O)NN L02059 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.15 c1cc(cnc1)C(=O)[NH2+][O-] H61292 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [1,0,0,0,0,0|1,0,1]=3 51 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [1,0,0,0,0,0|1,0,2]=4 59 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,0,0,0,0,0|1,0,2]=4 60 B10R1.15 c1ccc(cc1)C(CO)O L04551 [1,0,0,0,0,0|1,0,2]=4 61 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [1,0,0,0,0,0|1,0,2]=4 64 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,0,0,0,0,0|1,0,2]=4 65 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.15 c1cnccc1C(=O)CBr H32285 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.15 c1cnccc1C(=O)NN A10583 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.17 CCC#Cc1ccccc1 A11332 [1,0,0,0,0,0|1,0,1]=3 71 B10R1.17 CCCC[n+]1ccccc1 19740 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.17 CCCC[n+]1ccccc1 H26995 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.17 CCCCc1ccccc1 A10910 [1,0,0,0,0,0|1,0,1]=3 74 B10R1.17 CCNCc1ccccc1 L05651 [1,0,0,0,0,0|1,0,1]=3 75 B10R1.17 CCNCc1cccnc1 H51120 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.17 CCNCc1ccncc1 L13714 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.17 c1ccc(cc1)C#CCCl H53510 [1,0,0,0,0,0|2,0,1]=4 78 B10R1.17 c1ccc(cc1)C#CCO 43778 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.17 c1ccc(cc1)C#CCO L06337 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.17 c1ccc(cc1)CCCBr A14050 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.17 c1ccc(cc1)CCCCl B20445 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.17 c1ccc(cc1)CCCI H53420 [1,0,0,0,0,0|2,0,1]=4 83 B10R1.17 c1ccc(cc1)CCCN L03023 [1,0,0,0,0,0|2,0,1]=4 84 B10R1.17 c1ccc(cc1)CCCO A13022 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.17 c1ccc(cc1)COC=O L13405 [1,0,0,0,0,0|1,0,2]=4 87 B10R1.17 c1ccc(cc1)COCCl H60207 [1,0,0,0,0,0|1,0,1]=3 88 B10R1.17 c1ccc(cc1)NCCN L03786 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.17 c1ccc(cc1)NCCO B22131 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.17 c1ccc(cc1)OCCBr B21087 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.17 c1ccc(cc1)OCCCl L11345 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.17 c1ccc(cc1)OCCN A12225 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.17 c1ccc(cc1)OCCO A10786 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.17 c1ccc(cc1)SCCBr L11005 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.17 c1ccc(cc1)SCCCl B23265 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.17 c1ccc(cc1)SCCO A10861 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.17 c1ccc(cc1)\C=C\C#N A15301 [1,0,0,0,0,0|2,0,1]=4 98 B10R1.17 c1ccc(cc1)\C=C\C#N B25503 [1,0,0,0,0,0|2,0,1]=4 99 B10R1.17 c1ccc(cc1)\C=C\C=O A14689 [1,0,0,0,0,0|2,0,1]=4 100 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [1,0,0,0,0,0|2,0,0]=3 101 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [1,0,0,0,0,0|2,0,0]=3 103 B12R1.3 CC\C=C(\C=O)/c1ccccc1 A13635 [0,1,0,0,0,0|1,0,0]=2 104 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A14531 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.16 CCCC(=O)c1ccc(cc1)F H26034 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.16 CCNC(=O)c1ccc(cc1)Br H58111 [0,1,0,0,0,0|1,0,0]=2 107 B12R1.16 CCNC(=O)c1ccc(cc1)C H57901 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.16 CCNC(=O)c1ccc(cc1)Cl H59072 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.16 CCNC(=O)c1ccc(cc1)F H58065 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.16 CCNC(=O)c1ccc(cn1)Br H54309 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.16 CCOC(=O)c1ccc(cc1)Br A11365 [0,1,0,0,0,0|0,0,0]=1 112 B12R1.16 CCOC(=O)c1ccc(cc1)C A10568 [0,1,0,0,0,0|0,0,0]=1 113 B12R1.16 CCOC(=O)c1ccc(cc1)Cl A12540 [0,1,0,0,0,0|0,0,0]=1 114 B12R1.16 CCOC(=O)c1ccc(cc1)F B21484 [0,1,0,0,0,0|0,0,0]=1 115 B12R1.16 CCOC(=O)c1ccc(cc1)I A14570 [0,1,0,0,0,0|0,0,0]=1 116 B12R1.16 CCOC(=O)c1ccc(cc1)N A12754 [0,1,0,0,0,0|0,0,0]=1 117 B12R1.16 CCOC(=O)c1ccc(cc1)O A13172 [0,1,0,0,0,0|0,0,0]=1 118 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58477 [0,1,0,0,0,0|0,0,0]=1 119 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58484 [0,1,0,0,0,0|0,0,0]=1 120 B12R1.16 CCOC(=O)c1ccc(nc1)Cl A14723 [0,1,0,0,0,0|1,0,0]=2 121 B12R1.16 CCOC(=O)c1cnc(cn1)Cl H66630 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.16 CCOC(=O)c1cnc(cn1)N H66918 [0,1,0,0,0,0|2,0,0]=3 123 B12R1.16 CCOC(=O)c1cnc(nc1)Cl H64914 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.16 CCOC(=O)c1ncc(cn1)Br H61304 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.16 Cc1ccc(cc1)C(=O)CC#N A10950 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.16 c1cc(ccc1C(=O)CC#N)Cl A12364 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.16 c1cc(ccc1C(=O)CC#N)F H61988 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.16 c1cc(ccc1C(=O)CCCl)Br A13988 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl A13311 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.16 c1cc(ccc1C(=O)CCCl)F B21891 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.17 CCNC(=O)c1cccc(c1)C H59871 [0,1,0,0,0,0|1,0,0]=2 132 B12R1.17 CCNC(=O)c1cccc(c1)Cl H58141 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.17 CCOC(=O)c1cc(cnc1)Br B20788 [0,1,0,0,0,0|1,0,0]=2 134 B12R1.17 CCOC(=O)c1cccc(c1)Br A10251 [0,1,0,0,0,0|0,0,0]=1 135 B12R1.17 CCOC(=O)c1cccc(c1)C B23925 [0,1,0,0,0,0|0,0,0]=1 136 B12R1.17 CCOC(=O)c1cccc(c1)Cl L01065 [0,1,0,0,0,0|0,0,0]=1 137 B12R1.17 CCOC(=O)c1cccc(c1)F L07984 [0,1,0,0,0,0|0,0,0]=1 138 B12R1.17 CCOC(=O)c1cccc(c1)I A14210 [0,1,0,0,0,0|0,0,0]=1 139 B12R1.17 CCOC(=O)c1cccc(c1)N A14448 [0,1,0,0,0,0|0,0,0]=1 140 B12R1.17 CCOC(=O)c1cccc(c1)O A15343 [0,1,0,0,0,0|0,0,0]=1 141 B12R1.17 CCOC(=O)c1cccc(c1)[Zn+] H58105 [0,1,0,0,0,0|0,0,0]=1 142 B12R1.17 CCOC(=O)c1cccc(n1)Cl H61701 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.17 CCOC(=O)c1ccnc(c1)C H57239 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.17 CCOC(=O)c1ccnc(c1)N H61280 [0,1,0,0,0,0|1,0,0]=2 145 B12R1.17 Cc1cccc(c1)C(=O)CC#N A11965 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.17 c1cc(cc(c1)Cl)C(=O)CC#N A13913 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.30 C#CCOC(=O)c1ccccc1 H53444 [0,1,0,0,0,0|0,0,1]=2 148 B12R1.30 CC(c1ccccc1)NCCO H50261 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.30 CCCCC(=O)c1ccccc1 A10525 [0,1,0,0,0,0|1,0,0]=2 150 B12R1.30 CCCCC(c1ccccc1)O L04646 [0,1,0,0,0,0|1,0,2]=4 151 B12R1.30 c1ccc(cc1)C(=O)CCCCl L06383 [0,1,0,0,0,0|1,0,0]=2 152 B12R1.30 c1ccc(cc1)C(=O)NCCCl L06212 [0,1,0,0,0,0|1,0,0]=2 153 B12R1.34 CN(C(=O)c1ccccc1)OC H54253 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.39 CCCC(C)(c1ccccc1)O B20854 [0,1,0,0,0,0|1,0,2]=4 155 B12R1.39 CCNS(=O)(=O)c1ccccc1 H55463 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.39 c1ccc(cc1)S(=O)(=O)CCCl B21690 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [0,1,0,0,0,0|1,0,1]=3 158 B12R1.107 C[C@@H](c1ccccc1)NC(C)C L18355 [0,1,0,0,0,0|2,0,1]=4 159 B12R1.107 C[C@H](c1ccccc1)NC(C)C L18354 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.107 C\C(=C/C(=O)c1ccccc1)\[O-] A16051 [0,1,0,0,0,0|1,0,1]=3 161 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N L11313 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.107 c1ccc(cc1)C(=O)NC(=S)N L12377 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.308 CCNC(=O)c1ccccc1Cl H59064 [0,1,0,0,0,0|1,0,0]=2 164 B12R1.308 CCNC(=O)c1ccccc1F H59435 [0,1,0,0,0,0|1,0,0]=2 165 B12R1.308 CCNC(=O)c1cccnc1Cl H57514 [0,1,0,0,0,0|2,0,0]=3 166 B12R1.308 CCOC(=O)c1ccccc1Br A13166 [0,1,0,0,0,0|0,0,0]=1 167 B12R1.308 CCOC(=O)c1ccccc1C L00598 [0,1,0,0,0,0|0,0,0]=1 168 B12R1.308 CCOC(=O)c1ccccc1Cl A10141 [0,1,0,0,0,0|0,0,0]=1 169 B12R1.308 CCOC(=O)c1ccccc1F A16564 [0,1,0,0,0,0|0,0,0]=1 170 B12R1.308 CCOC(=O)c1ccccc1I L07650 [0,1,0,0,0,0|0,0,0]=1 171 B12R1.308 CCOC(=O)c1ccccc1N A14378 [0,1,0,0,0,0|0,0,0]=1 172 B12R1.308 CCOC(=O)c1ccccc1O A10101 [0,1,0,0,0,0|0,0,0]=1 173 B12R1.308 CCOC(=O)c1ccccc1[Zn+] H58721 [0,1,0,0,0,0|0,0,0]=1 174 B12R1.308 CCOC(=O)c1cccnc1Br H52335 [0,1,0,0,0,0|1,0,0]=2 175 B12R1.308 CCOC(=O)c1cccnc1C L03256 [0,1,0,0,0,0|1,0,0]=2 176 B12R1.308 CCOC(=O)c1cccnc1Cl B20359 [0,1,0,0,0,0|1,0,0]=2 177 B12R1.308 CCOC(=O)c1cccnc1N H64957 [0,1,0,0,0,0|1,0,0]=2 178 B12R1.308 CCOC(=O)c1ccncc1N H64188 [0,1,0,0,0,0|1,0,0]=2 179 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Cl A13611 [0,1,0,0,0,0|2,0,1]=4 180 B12R2.2 c1cc(cnc1)C2=NCCC2 L11886 [0,0,0,1,0,0|3,0,0]=4 181 B12R2.2 c1ccc(cc1)C2=NCCN2 H59095 [0,0,0,1,0,0|2,0,0]=3 182 B12R2.2 c1ccc(cc1)C2NCCS2 H62823 [0,0,0,1,0,0|1,1,1]=4 183 B12R2.2 c1ccc(cc1)N2CCCC2 L05239 [0,0,0,1,0,0|3,0,0]=4 184 B12R2.1081 B1(c2ccccc2CCO1)O H52672 [0,0,0,1,0,0|1,0,1]=3 185 B12R2.1081 CC1c2ccccc2CCN1 H64191 [0,0,0,1,0,0|2,0,1]=4 186 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 A11242 [0,0,0,1,0,0|2,0,0]=3 187 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [0,0,0,1,0,0|1,0,0]=2 188 B12R2.1081 c1ccc2c(c1)CCCC2N B25673 [0,0,0,1,0,0|2,0,1]=4 189 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N L17022 [0,0,0,1,0,0|2,0,1]=4 190 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N L17021 [0,0,0,1,0,0|2,0,1]=4 191 B12R2.1081 c1ccc2c(c1)COCC2=O H61539 [0,0,0,1,0,0|2,0,0]=3 192 B12R2.1081 c1ccc2c(c1)CSCC2=O L07948 [0,0,0,1,0,0|2,0,0]=3 193 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A19798 [0,0,0,1,0,0|3,0,0]=4 194 B12R2.2028 Cn1c2ccccc2c(n1)N H34285 [0,0,0,1,0,0|3,0,0]=4 195 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O B25118 [0,0,0,1,0,0|2,0,1]=4 196 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O A12206 [0,0,0,1,0,0|2,0,1]=4 197 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O A12584 [0,0,0,1,0,0|2,0,1]=4 198 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O 41771 [0,0,0,1,0,0|1,0,1]=3 199 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O A14955 [0,0,0,1,0,0|1,0,1]=3 200 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O A11134 [0,0,0,1,0,0|2,0,1]=4 201 B12R2.2028 c1cncc2c1C(=O)OC2=O A10771 [0,0,0,1,0,0|2,0,1]=4 202 B12R2.2075 c1ccc(cc1)C(=O)C2CC2 L02218 [0,0,0,1,0,0|1,0,0]=2 203 B10R1.11 CCCC(=O)C1=CC=CC1 39404 [0,0,0,0,1,0|1,0,1]=3 204 B10R1.11 CCCC(=O)c1ccco1 H26287 [0,0,0,0,1,0|2,0,0]=3 205 B10R1.11 CCCC(=O)c1cccs1 A15048 [0,0,0,0,1,0|2,0,0]=3 206 B10R1.11 CCOC(=O)c1[nH]ccn1 L19405 [0,0,0,0,1,0|2,0,0]=3 207 B10R1.11 CCOC(=O)c1c[nH]cn1 H64095 [0,0,0,0,1,0|2,0,0]=3 208 B10R1.11 CCOC(=O)c1c[nH]nc1 B25351 [0,0,0,0,1,0|2,0,0]=3 209 B10R1.11 CCOC(=O)c1ccc[nH]1 L16382 [0,0,0,0,1,0|1,0,0]=2 210 B10R1.11 CCOC(=O)c1ccco1 A13909 [0,0,0,0,1,0|1,0,0]=2 211 B10R1.11 CCOC(=O)c1cccs1 A12302 [0,0,0,0,1,0|1,0,0]=2 212 B10R1.11 CCOC(=O)c1ccsc1 B22468 [0,0,0,0,1,0|1,0,0]=2 213 B10R1.11 CCOC(=O)c1cnco1 H32924 [0,0,0,0,1,0|2,0,0]=3 214 B10R1.11 CCOC(=O)c1csnn1 A19912 [0,0,0,0,1,0|3,0,0]=4 215 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [0,0,0,0,0,1|0,0,0]=1 216 B12R1.32 CCOC(=O)Cc1ccccn1 B23988 [0,0,0,0,0,1|1,0,0]=2 217 B12R1.32 CCOC(=O)Cc1cccnc1 A14768 [0,0,0,0,0,1|1,0,0]=2 218 B12R1.32 CCOC(=O)Cc1ccncc1 A14550 [0,0,0,0,0,1|1,0,0]=2 219 B12R1.32 CCOC(=O)Nc1ccccc1 L05027 [0,0,0,0,0,1|0,0,0]=1 220 B9R0.5 CCOC(=O)\C=C\C=C\C A11431 [1,0,1,0,0,0|0,0,1]=3 221 B9R1.6 B(c1ccccc1)(O)O A14257 [2,0,0,0,0,0|1,0,1]=4 222 B9R1.6 B(c1ccccc1)(O)O L19459 [2,0,0,0,0,0|1,0,1]=4 223 B9R1.6 CC(=C)c1ccccc1 L03609 [2,0,0,0,0,0|1,0,0]=3 224 B9R1.6 CC(=O)c1ccccc1 A12727 [2,0,0,0,0,0|0,0,0]=2 225 B9R1.6 CC(=O)c1ccccn1 A12688 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.6 CC(=O)c1cccnc1 A14246 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.6 CC(=O)c1ccncc1 A12015 [2,0,0,0,0,0|1,0,0]=3 228 B9R1.6 CC(=O)c1ccnnc1 H66461 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.6 CC(=O)c1cnccn1 A15917 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.6 CC(C)c1ccccc1 A11864 [2,0,0,0,0,0|1,0,1]=4 231 B9R1.6 CC(c1ccccc1)Br A16839 [2,0,0,0,0,0|1,0,1]=4 232 B9R1.6 CC(c1ccccc1)N A15711 [2,0,0,0,0,0|1,0,1]=4 233 B9R1.6 CC(c1ccccc1)O A13837 [2,0,0,0,0,0|0,0,2]=4 234 B9R1.6 CC(c1ccccc1)S H26345 [2,0,0,0,0,0|0,1,1]=4 235 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.6 CN(C)c1ccccc1 A11916 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.6 CN(c1ccccc1)N B22440 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.6 CP(C)c1ccccc1 A17975 [2,0,0,0,0,0|2,0,0]=4 239 B9R1.6 CS(=O)c1ccccc1 A15009 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.6 C[C@@H](c1ccccc1)N A12632 [2,0,0,0,0,0|1,0,1]=4 241 B9R1.6 C[C@@H](c1ccccc1)N L19118 [2,0,0,0,0,0|1,0,1]=4 242 B9R1.6 C[C@@H](c1ccccc1)O B21188 [2,0,0,0,0,0|0,0,2]=4 243 B9R1.6 C[C@H](c1ccccc1)N A10967 [2,0,0,0,0,0|1,0,1]=4 244 B9R1.6 C[C@H](c1ccccc1)N L19117 [2,0,0,0,0,0|1,0,1]=4 245 B9R1.6 C[C@H](c1ccccc1)O L19296 [2,0,0,0,0,0|0,0,2]=4 246 B9R1.6 C[SiH](C)c1ccccc1 L04558 [2,0,0,0,0,0|1,1,0]=4 247 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [2,0,0,0,0,0|1,0,0]=3 248 B9R1.6 c1c(cncn1)C(=O)O H61406 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.6 c1cc(cnc1)C(=O)N A15970 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.6 c1cc(cnc1)C(=O)O A12683 [2,0,0,0,0,0|1,0,0]=3 252 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [2,0,0,0,0,0|1,0,1]=4 253 B9R1.6 c1cc(nnc1)C(=O)O H34341 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.6 c1ccc(cc1)C(=N)N A16002 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [2,0,0,0,0,0|1,0,0]=3 256 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [2,0,0,0,0,0|1,0,0]=3 257 B9R1.6 c1ccc(cc1)C(=O)F L11464 [2,0,0,0,0,0|1,0,0]=3 258 B9R1.6 c1ccc(cc1)C(=O)N A10501 [2,0,0,0,0,0|1,0,0]=3 259 B9R1.6 c1ccc(cc1)C(=O)O 36230 [2,0,0,0,0,0|0,0,0]=2 260 B9R1.6 c1ccc(cc1)C(=O)O A14062 [2,0,0,0,0,0|0,0,0]=2 261 B9R1.6 c1ccc(cc1)C(=O)O H25864 [2,0,0,0,0,0|0,0,0]=2 262 B9R1.6 c1ccc(cc1)C(=O)O L19473 [2,0,0,0,0,0|0,0,0]=2 263 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [2,0,0,0,0,0|0,0,1]=3 264 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [2,0,0,0,0,0|0,0,1]=3 265 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [2,0,0,0,0,0|0,0,1]=3 266 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [2,0,0,0,0,0|0,0,1]=3 267 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [2,0,0,0,0,0|0,0,1]=3 268 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [2,0,0,0,0,0|0,0,1]=3 269 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [2,0,0,0,0,0|0,0,1]=3 270 B9R1.6 c1ccc(cc1)C(=S)N A12973 [2,0,0,0,0,0|1,1,0]=4 271 B9R1.6 c1ccc(cc1)C(=S)O B24458 [2,0,0,0,0,0|0,1,0]=3 272 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [2,0,0,0,0,0|0,1,1]=4 273 B9R1.6 c1ccc(cc1)P(=O)O A17453 [2,0,0,0,0,0|1,0,0]=3 274 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [2,0,0,0,0,0|1,0,1]=4 275 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [2,0,0,0,0,0|1,0,1]=4 276 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [2,0,0,0,0,0|1,0,1]=4 277 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [2,0,0,0,0,0|1,0,1]=4 278 B9R1.6 c1ccnc(c1)C(=O)N A15410 [2,0,0,0,0,0|2,0,0]=4 279 B9R1.6 c1ccnc(c1)C(=O)O A14749 [2,0,0,0,0,0|1,0,0]=3 280 B9R1.6 c1cnc(cn1)C(=O)O A13363 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.6 c1cnc(nc1)C(=O)O H54745 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.6 c1cnccc1C(=O)Cl A10863 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.6 c1cnccc1C(=O)N A18190 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.6 c1cnccc1C(=O)O A18109 [2,0,0,0,0,0|1,0,0]=3 285 B9R1.6 c1cncnc1C(=O)O H60022 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.6 c1cnncc1C(=O)O H27246 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.8 CC#Cc1ccccc1 A14272 [2,0,0,0,0,0|0,0,2]=4 288 B9R1.8 CCCc1ccccc1 B21468 [2,0,0,0,0,0|0,0,1]=3 289 B9R1.8 CCNc1ccccc1 A15060 [2,0,0,0,0,0|1,0,0]=3 290 B9R1.8 CCOc1ccccc1 A15501 [2,0,0,0,0,0|0,0,0]=2 291 B9R1.8 CCOc1ccccn1 L05649 [2,0,0,0,0,0|1,0,0]=3 292 B9R1.8 CCOc1cnccn1 B25219 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.8 CCSc1ccccc1 A13987 [2,0,0,0,0,0|0,1,0]=3 294 B9R1.8 CNCc1ccccc1 A13746 [2,0,0,0,0,0|1,0,1]=4 295 B9R1.8 COCc1ccccc1 B23490 [2,0,0,0,0,0|0,0,1]=3 296 B9R1.8 C\N=C\c1ccccc1 B25161 [2,0,0,0,0,0|1,0,0]=3 297 B9R1.8 c1ccc(cc1)CCBr A12528 [2,0,0,0,0,0|1,0,1]=4 298 B9R1.8 c1ccc(cc1)CCCl L04891 [2,0,0,0,0,0|1,0,1]=4 299 B9R1.8 c1ccc(cc1)CCN A13402 [2,0,0,0,0,0|1,0,1]=4 300 B9R1.8 c1ccc(cc1)CCO A15241 [2,0,0,0,0,0|1,0,1]=4 301 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [2,0,0,0,0,0|1,0,1]=4 302 B9R1.8 c1ccc(cc1)CON A17393 [2,0,0,0,0,0|1,0,1]=4 303 B9R1.8 c1ccc(cc1)CON L13601 [2,0,0,0,0,0|1,0,1]=4 304 B9R1.8 c1ccc(cc1)OC=O L00289 [2,0,0,0,0,0|1,0,1]=4 305 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [2,0,0,0,0,0|1,0,1]=4 306 B9R1.8 c1ccc(cc1)\C=N\O A12053 [2,0,0,0,0,0|2,0,0]=4 307 B11R1.7 CCC(C)(C)c1ccccc1 L03731 [1,1,0,0,0,0|1,0,1]=4 308 B11R1.7 CCS(=O)(=O)c1ccccc1 A10710 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.7 CNS(=O)(=O)c1ccccc1 H55666 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.7 COP(=O)(C)c1ccccc1 A18760 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.7 COS(=O)(=O)c1ccccc1 B24515 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.7 CO[Si](C)(C)c1ccccc1 H27165 [1,1,0,0,0,0|1,1,0]=4 313 B11R1.12 CCC(C#N)c1ccccc1 A17093 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.12 CCN(CC)c1ccccc1 A10560 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.12 CCP(CC)c1ccccc1 10180 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.12 COC(c1ccccc1)OC A11009 [1,1,0,0,0,0|0,0,2]=4 317 B11R1.12 COP(c1ccccc1)OC A14006 [1,1,0,0,0,0|1,0,1]=4 318 B11R1.12 CO[C@@H](CO)c1ccccc1 L14044 [1,1,0,0,0,0|0,0,2]=4 319 B11R1.12 C\C=C(\C=O)/c1ccccc1 A14185 [1,1,0,0,0,0|0,0,1]=3 320 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [1,1,0,0,0,0|0,0,0]=2 321 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [1,1,0,0,0,0|0,0,0]=2 322 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [1,1,0,0,0,0|0,0,0]=2 323 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [1,1,0,0,0,0|0,0,0]=2 324 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [1,1,0,0,0,0|0,0,0]=2 325 B11R1.22 CNC(=O)c1ccc(cc1)Br H57940 [1,1,0,0,0,0|1,0,0]=3 326 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.22 CNC(=O)c1ccc(cn1)Br H54947 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.22 COC(=O)c1ccc(=O)oc1 B25330 [1,1,0,0,0,0|1,0,0]=3 329 B11R1.22 COC(=O)c1ccc(cc1)Br A15517 [1,1,0,0,0,0|0,0,0]=2 330 B11R1.22 COC(=O)c1ccc(cc1)Cl A10109 [1,1,0,0,0,0|0,0,0]=2 331 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [1,1,0,0,0,0|0,0,0]=2 332 B11R1.22 COC(=O)c1ccc(cc1)I A19342 [1,1,0,0,0,0|0,0,0]=2 333 B11R1.22 COC(=O)c1ccc(cc1)N A11715 [1,1,0,0,0,0|0,0,0]=2 334 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [1,1,0,0,0,0|0,0,0]=2 335 B11R1.22 COC(=O)c1ccc(cn1)Br B25415 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.22 COC(=O)c1ccc(nc1)Cl A10396 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.22 COC(=O)c1ccc(nc1)F H61302 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.22 COC(=O)c1ccc(nc1)N H27575 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.22 COC(=O)c1cnc(cn1)Br H66706 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.22 COC(=O)c1cnc(cn1)Cl H66306 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.22 COC(=O)c1ncc(cn1)Br H61339 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [1,1,0,0,0,0|0,0,0]=2 346 B11R1.22 Cc1ccc(cn1)C(=O)OC L12276 [1,1,0,0,0,0|1,0,0]=3 347 B11R1.22 c1cc(ccc1C(=O)C=O)F L20272 [1,1,0,0,0,0|1,0,1]=4 348 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.22 c1cc(ccc1C(=O)NN)Br A18918 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.22 c1cc(ccc1C(=O)NN)Cl A11911 [1,1,0,0,0,0|2,0,0]=4 356 B11R1.22 c1cc(ccc1C(=O)NN)F H53496 [1,1,0,0,0,0|2,0,0]=4 357 B11R1.22 c1cc(ccc1C(=O)NN)N A10963 [1,1,0,0,0,0|2,0,0]=4 358 B11R1.22 c1cc(ccc1C(=O)NN)O A12702 [1,1,0,0,0,0|2,0,0]=4 359 B11R1.23 CCC(=O)c1cccc(c1)Br A16757 [1,1,0,0,0,0|0,0,0]=2 360 B11R1.23 CCC(=O)c1cccc(c1)Cl A12542 [1,1,0,0,0,0|0,0,0]=2 361 B11R1.23 CCC(=O)c1cccc(c1)F L11922 [1,1,0,0,0,0|0,0,0]=2 362 B11R1.23 CCC(c1cccc(c1)F)O H32342 [1,1,0,0,0,0|0,0,2]=4 363 B11R1.23 CNC(=O)c1cc(ccn1)Cl H50535 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.23 CNC(=O)c1cccc(c1)Cl H56565 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.23 CNC(=O)c1ccnc(c1)Cl H57458 [1,1,0,0,0,0|2,0,0]=4 366 B11R1.23 COC(=O)c1cc(ccn1)Br H64327 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.23 COC(=O)c1cc(ccn1)Cl H60532 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.23 COC(=O)c1cc(cnc1)Br B20908 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.23 COC(=O)c1cccc(c1)Br A16174 [1,1,0,0,0,0|0,0,0]=2 370 B11R1.23 COC(=O)c1cccc(c1)Cl B21371 [1,1,0,0,0,0|0,0,0]=2 371 B11R1.23 COC(=O)c1cccc(c1)N A14766 [1,1,0,0,0,0|0,0,0]=2 372 B11R1.23 COC(=O)c1cccc(c1)O A14425 [1,1,0,0,0,0|0,0,0]=2 373 B11R1.23 COC(=O)c1cccc(n1)Cl H64023 [1,1,0,0,0,0|1,0,0]=3 374 B11R1.23 COC(=O)c1ccnc(c1)N L19869 [1,1,0,0,0,0|1,0,0]=3 375 B11R1.23 COC(=O)c1cncc(n1)Cl H66682 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.23 Cc1cc(cnc1)C(=O)OC L16371 [1,1,0,0,0,0|1,0,0]=3 377 B11R1.23 Cc1cccc(c1)C(=O)NC H56299 [1,1,0,0,0,0|1,0,0]=3 378 B11R1.23 Cc1cccc(c1)C(=O)NN L01043 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.23 Cc1cccc(c1)C(=O)OC A10893 [1,1,0,0,0,0|0,0,0]=2 380 B11R1.23 Cc1cccc(n1)C(=O)OC H33571 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr A15210 [1,1,0,0,0,0|1,0,0]=3 382 B11R1.23 c1cc(cc(c1)Br)C(=O)NN A19628 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr H66077 [1,1,0,0,0,0|1,0,0]=3 384 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN L01071 [1,1,0,0,0,0|2,0,0]=4 385 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO L00286 [1,1,0,0,0,0|1,0,0]=3 386 B11R1.23 c1cc(cc(c1)F)C(=O)C=O L20278 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.23 c1cc(cc(c1)N)C(=O)NN A11491 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.23 c1cc(cc(c1)O)C(=O)NN L04357 [1,1,0,0,0,0|2,0,0]=4 389 B11R1.36 CC(C(=O)c1ccccc1)Br A10661 [1,1,0,0,0,0|0,0,0]=2 390 B11R1.36 CC(C)C(=O)c1ccccc1 B24628 [1,1,0,0,0,0|0,0,0]=2 391 B11R1.36 CC(C)C(c1ccccc1)O B20729 [1,1,0,0,0,0|0,0,2]=4 392 B11R1.36 CN(C)C(=O)c1ccccc1 A18766 [1,1,0,0,0,0|1,0,0]=3 393 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [1,1,0,0,0,0|1,0,1]=4 394 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl B23475 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.36 c1ccc(cc1)C(=O)C(F)F H25750 [1,1,0,0,0,0|1,0,0]=3 396 B11R1.222 CCC(=O)c1ccccc1F L12423 [1,1,0,0,0,0|0,0,0]=2 397 B11R1.222 CCC(=O)c1ccccc1O B25442 [1,1,0,0,0,0|0,0,0]=2 398 B11R1.222 CCC(C)c1ccccc1O A18461 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.222 CCC(c1ccccc1F)O H31929 [1,1,0,0,0,0|0,0,2]=4 400 B11R1.222 CNC(=O)c1ccccc1Br H50583 [1,1,0,0,0,0|1,0,0]=3 401 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.222 CNC(=O)c1ccccc1F H56104 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.222 CNC(=O)c1cccnc1Cl H57963 [1,1,0,0,0,0|2,0,0]=4 404 B11R1.222 COC(=O)c1c(nccn1)Br H63515 [1,1,0,0,0,0|2,0,0]=4 405 B11R1.222 COC(=O)c1c(nccn1)Cl H64508 [1,1,0,0,0,0|2,0,0]=4 406 B11R1.222 COC(=O)c1c(nccn1)N H29172 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.222 COC(=O)c1ccccc1Br A12435 [1,1,0,0,0,0|0,0,0]=2 408 B11R1.222 COC(=O)c1ccccc1Cl A11237 [1,1,0,0,0,0|0,0,0]=2 409 B11R1.222 COC(=O)c1ccccc1F A16133 [1,1,0,0,0,0|0,0,0]=2 410 B11R1.222 COC(=O)c1ccccc1I A13204 [1,1,0,0,0,0|0,0,0]=2 411 B11R1.222 COC(=O)c1ccccc1N A15681 [1,1,0,0,0,0|0,0,0]=2 412 B11R1.222 COC(=O)c1ccccc1O A10578 [1,1,0,0,0,0|0,0,0]=2 413 B11R1.222 COC(=O)c1ccccc1S H28400 [1,1,0,0,0,0|0,0,0]=2 414 B11R1.222 COC(=O)c1cccnc1Cl H64798 [1,1,0,0,0,0|1,0,0]=3 415 B11R1.222 COC(=O)c1cccnc1N H50013 [1,1,0,0,0,0|1,0,0]=3 416 B11R1.222 COC(=O)c1cccnc1O H33334 [1,1,0,0,0,0|1,0,0]=3 417 B11R1.222 COC(=O)c1cccoc1=O H25932 [1,1,0,0,0,0|1,0,0]=3 418 B11R1.222 COC(=O)c1ccncc1N H34007 [1,1,0,0,0,0|1,0,0]=3 419 B11R1.222 COC(=O)c1cnccc1N B25324 [1,1,0,0,0,0|1,0,0]=3 420 B11R1.222 Cc1c(cccn1)C(=O)OC L09074 [1,1,0,0,0,0|1,0,0]=3 421 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [1,1,0,0,0,0|1,0,0]=3 422 B11R1.222 Cc1ccccc1C(=O)NN L00668 [1,1,0,0,0,0|2,0,0]=4 423 B11R1.222 Cc1ccccc1C(=O)OC A15695 [1,1,0,0,0,0|0,0,0]=2 424 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl H27303 [1,1,0,0,0,0|1,0,0]=3 425 B11R1.222 c1ccc(c(c1)C(=O)CBr)F H34179 [1,1,0,0,0,0|1,0,0]=3 426 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [1,1,0,0,0,0|1,0,0]=3 427 B11R1.222 c1ccc(c(c1)C(=O)NN)Br L00937 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl A11361 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.222 c1ccc(c(c1)C(=O)NN)F B24921 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.222 c1ccc(c(c1)C(=O)NN)N A10805 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.222 c1ccc(c(c1)C(=O)NO)O A11528 [1,1,0,0,0,0|2,0,0]=4 433 B11R1.1 CCCCc1ccc(cc1)Br B23979 [1,1,0,0,0,0|1,0,1]=4 434 B11R1.1 CCCCc1ccc(cc1)Cl B24138 [1,1,0,0,0,0|1,0,1]=4 435 B11R1.1 CCCCc1ccc(cc1)I A14421 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.1 CCCCc1ccc(cc1)N B25234 [1,1,0,0,0,0|1,0,1]=4 437 B11R1.1 CCCCc1ccc(cc1)O A12812 [1,1,0,0,0,0|1,0,1]=4 438 B11R1.1 CCCOc1ccc(cc1)Br A11462 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.1 CCCOc1ccc(cc1)N H55096 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.1 CCCOc1ccc(cc1)O B22266 [1,1,0,0,0,0|2,0,0]=4 441 B11R1.1 CCNCc1ccc(cc1)F H56689 [1,1,0,0,0,0|1,0,1]=4 442 B11R1.17 CCNCc1ccccc1F H56127 [1,1,0,0,0,0|1,0,1]=4 443 B11R1.24 CCNCc1cccc(c1)F H56434 [1,1,0,0,0,0|1,0,1]=4 444 B11R1.28 C#CCOCc1ccccc1 H53481 [1,1,0,0,0,0|0,0,2]=4 445 B11R1.28 CCCC#Cc1ccccc1 B20857 [1,1,0,0,0,0|1,0,1]=4 446 B11R1.28 CCCCCc1ccccc1 A15734 [1,1,0,0,0,0|1,0,1]=4 447 B11R1.28 CCCCNc1ccccc1 B24180 [1,1,0,0,0,0|1,0,1]=4 448 B11R1.28 CCCCOc1ccccc1 L04703 [1,1,0,0,0,0|1,0,1]=4 449 B11R1.28 CCO\C=N\c1ccccc1 43788 [1,1,0,0,0,0|0,0,0]=2 450 B11R1.28 CNCCOc1ccccc1 H50258 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.28 COCCSc1ccccc1 L10464 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.28 c1ccc(cc1)CCCCBr B25237 [1,1,0,0,0,0|1,0,1]=4 453 B11R1.28 c1ccc(cc1)CCCCCl A11753 [1,1,0,0,0,0|1,0,1]=4 454 B11R1.28 c1ccc(cc1)CCCCN L02982 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.28 c1ccc(cc1)CCCCO A13433 [1,1,0,0,0,0|1,0,1]=4 456 B11R1.28 c1ccc(cc1)CNCCN A13262 [1,1,0,0,0,0|1,0,1]=4 457 B11R1.28 c1ccc(cc1)CNCCO A16866 [1,1,0,0,0,0|1,0,1]=4 458 B11R1.28 c1ccc(cc1)COCCBr H56872 [1,1,0,0,0,0|0,0,1]=3 459 B11R1.28 c1ccc(cc1)COCCI H35095 [1,1,0,0,0,0|0,0,1]=3 460 B11R1.28 c1ccc(cc1)CSCCO L12274 [1,1,0,0,0,0|0,1,1]=4 461 B11R1.28 c1ccc(cc1)OCCCBr L12494 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.28 c1ccc(cc1)OCCCN H52398 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.28 c1ccc(cc1)SCCCCl B21345 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [1,1,0,0,0,0|2,0,0]=4 465 B11R1.40 CCN(C)Cc1ccccc1 L08520 [1,1,0,0,0,0|1,0,1]=4 466 B11R1.91 CC(=O)OCc1ccccc1 B23472 [1,1,0,0,0,0|0,0,2]=4 467 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.91 CC(C#Cc1ccccc1)O H53450 [1,1,0,0,0,0|1,0,1]=4 469 B11R1.91 CC(C)NCc1ccccc1 B23243 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.91 CC(CCc1ccccc1)N A18804 [1,1,0,0,0,0|1,0,1]=4 471 B11R1.91 CC(CCc1ccccc1)O L05970 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.91 CC(COc1ccccc1)O L04596 [1,1,0,0,0,0|2,0,0]=4 473 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [1,1,0,0,0,0|1,0,1]=4 474 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.15 CCOC(=O)c1cc(n[nH]1)C A12304 [0,1,0,0,1,0|2,0,0]=4 476 B11R1.15 CCOC(=O)c1cc(no1)C H63741 [0,1,0,0,1,0|2,0,0]=4 477 B11R1.15 CCOC(=O)c1cc(on1)C A13226 [0,1,0,0,1,0|2,0,0]=4 478 B11R1.15 CCOC(=O)c1ccc(o1)Br H52343 [0,1,0,0,1,0|1,0,0]=3 479 B11R1.15 CCOC(=O)c1ccc(s1)Br B22355 [0,1,0,0,1,0|1,0,0]=3 480 B11R1.15 CCOC(=O)c1ccc(s1)Cl L06385 [0,1,0,0,1,0|1,0,0]=3 481 B11R1.15 CCOC(=O)c1cnc(s1)Br H55109 [0,1,0,0,1,0|2,0,0]=4 482 B11R1.15 CCOC(=O)c1cnc(s1)N H31769 [0,1,0,0,1,0|2,0,0]=4 483 B11R1.15 CCOC(=O)c1coc(n1)Cl H31521 [0,1,0,0,1,0|2,0,0]=4 484 B11R1.15 CCOC(=O)c1coc(n1)N H32542 [0,1,0,0,1,0|2,0,0]=4 485 B11R1.15 CCOC(=O)c1csc(n1)Br H31507 [0,1,0,0,1,0|2,0,0]=4 486 B11R1.15 CCOC(=O)c1csc(n1)C A12050 [0,1,0,0,1,0|2,0,0]=4 487 B11R1.15 CCOC(=O)c1csc(n1)N H30634 [0,1,0,0,1,0|2,0,0]=4 488 B11R1.29 CCCCC(=O)c1ccco1 H26491 [0,1,0,0,1,0|2,0,0]=4 489 B11R1.29 CCCCC(=O)c1cccs1 H26326 [0,1,0,0,1,0|2,0,0]=4 490 B11R1.199 CCOC(=O)c1c([nH]cn1)C H63452 [0,1,0,0,1,0|2,0,0]=4 491 B11R1.199 CCOC(=O)c1c(nco1)C H52404 [0,1,0,0,1,0|2,0,0]=4 492 B11R1.199 CCOC(=O)c1c(ncs1)C H61142 [0,1,0,0,1,0|2,0,0]=4 493 B11R1.199 CCOC(=O)c1c[nH]cc1C B25082 [0,1,0,0,1,0|1,0,0]=3 494 B11R1.199 CCOC(=O)c1c[nH]nc1N A10882 [0,1,0,0,1,0|2,0,0]=4 495 B11R1.199 CCOC(=O)c1ccsc1N H61559 [0,1,0,0,1,0|1,0,0]=3 496 B11R1.199 CCOC(=O)c1cnoc1C L18647 [0,1,0,0,1,0|2,0,0]=4 497 B11R1.199 CCOC(=O)c1conc1C L16362 [0,1,0,0,1,0|2,0,0]=4 498 B11R1.199 CCOC(=O)c1nccn1C H61185 [0,1,0,0,1,0|2,0,0]=4 499 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br B22165 [0,1,0,0,0,1|0,0,0]=2 500 B13R1.19 CCOC(=O)Cc1ccc(cc1)C A16718 [0,1,0,0,0,1|0,0,0]=2 501 B13R1.19 CCOC(=O)Cc1ccc(cc1)N A11529 [0,1,0,0,0,1|0,0,0]=2 502 B13R1.19 CCOC(=O)Cc1ccc(cc1)O B21832 [0,1,0,0,0,1|0,0,0]=2 503 B13R1.20 CCOC(=O)Cc1cccc(c1)C A18497 [0,1,0,0,0,1|0,0,0]=2 504 B13R1.44 CCCCC(=O)Cc1ccccc1 A10944 [0,1,0,0,0,1|1,0,0]=3 505 B13R1.44 c1ccc(cc1)NC(=O)CCCCl H59762 [0,1,0,0,0,1|1,0,0]=3 506 B13R1.47 CCOC(=O)C(=C)c1ccccc1 B23913 [0,1,0,0,0,1|0,0,0]=2 507 B13R1.47 CCOC(=O)C(=O)c1ccccc1 B25292 [0,1,0,0,0,1|0,0,0]=2 508 B13R1.47 CCOC(=O)C(c1ccccc1)Br B21114 [0,1,0,0,0,1|0,0,0]=2 509 B13R1.47 CCOC(=O)C(c1ccccc1)O A17412 [0,1,0,0,0,1|0,0,0]=2 510 B13R1.47 CCOC(=O)[C@H](c1ccccc1)N L01564 [0,1,0,0,0,1|0,0,0]=2 511 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 A17534 [0,1,0,0,0,1|1,0,1]=4 512 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 L19599 [0,1,0,0,0,1|1,0,1]=4 513 B13R1.348 CC(C)OC(=O)Cc1ccccc1 L07385 [0,1,0,0,0,1|0,0,0]=2 514 B13R1.348 CC(C)OC(=O)Nc1ccccc1 B24998 [0,1,0,0,0,1|0,0,0]=2 515 B13R1.470 CCOC(=O)Cc1ccccc1Br H50630 [0,1,0,0,0,1|0,0,0]=2 516 B13R1.470 CCOC(=O)Cc1ccccc1C A11955 [0,1,0,0,0,1|0,0,0]=2 517 B13R1.470 CCOC(=O)Cc1ccccc1F L19999 [0,1,0,0,0,1|0,0,0]=2 518 B13R1.398 CCOP(c1ccccc1)OCC B24836 [0,2,0,0,0,0|1,0,1]=4 519 B13R1.713 CC(C)\C=C(\C=O)/c1ccccc1 A18738 [0,2,0,0,0,0|1,0,0]=3 520 B13R1.17 CCCCC(=O)c1ccc(cc1)Br B24979 [0,2,0,0,0,0|1,0,0]=3 521 B13R1.17 CCCCC(=O)c1ccc(cc1)Cl B25611 [0,2,0,0,0,0|1,0,0]=3 522 B13R1.17 CCCCC(=O)c1ccc(cc1)F B22861 [0,2,0,0,0,0|1,0,0]=3 523 B13R1.17 CCCNC(=O)c1ccc(cc1)Br H58961 [0,2,0,0,0,0|1,0,0]=3 524 B13R1.17 CCCNC(=O)c1ccc(cc1)C H57134 [0,2,0,0,0,0|1,0,0]=3 525 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl H59578 [0,2,0,0,0,0|1,0,0]=3 526 B13R1.17 CCCNC(=O)c1ccc(cc1)F H58710 [0,2,0,0,0,0|1,0,0]=3 527 B13R1.17 CCCOC(=O)c1ccc(cc1)N L09066 [0,2,0,0,0,0|0,0,0]=2 528 B13R1.17 CCCOC(=O)c1ccc(cc1)O A10180 [0,2,0,0,0,0|0,0,0]=2 529 B13R1.17 c1cc(ccc1C(=O)CCCCl)Br B24146 [0,2,0,0,0,0|1,0,0]=3 530 B13R1.17 c1cc(ccc1C(=O)CCCCl)Cl B24608 [0,2,0,0,0,0|1,0,0]=3 531 B13R1.17 c1cc(ccc1C(=O)CCCCl)F A11121 [0,2,0,0,0,0|1,0,0]=3 532 B13R1.17 c1cc(ccc1C(=O)CCCCl)O B25543 [0,2,0,0,0,0|1,0,0]=3 533 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)Br H56478 [0,2,0,0,0,0|2,0,0]=4 534 B13R1.29 CCNS(=O)(=O)c1ccc(cc1)C H61905 [0,2,0,0,0,0|2,0,0]=4 535 B13R1.29 CCOS(=O)(=O)c1ccc(cc1)C B24658 [0,2,0,0,0,0|1,0,0]=3 536 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br H57478 [0,2,0,0,0,0|1,0,0]=3 537 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl H55420 [0,2,0,0,0,0|1,0,0]=3 538 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F H57054 [0,2,0,0,0,0|1,0,0]=3 539 B13R1.132 CC(C)OC(=O)c1ccc(cc1)N A17551 [0,2,0,0,0,0|0,0,0]=2 540 B13R1.132 CC(C)OC(=O)c1ccc(cc1)O A13930 [0,2,0,0,0,0|0,0,0]=2 541 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C H56464 [0,2,0,0,0,0|1,0,0]=3 542 B13R1.452 CCCC(=O)c1ccc(cc1)OC A11737 [0,2,0,0,0,0|1,0,0]=3 543 B13R1.452 CCNC(=O)c1ccc(cc1)OC H59924 [0,2,0,0,0,0|1,0,0]=3 544 B13R1.452 CCOC(=O)c1ccc(cc1)CBr L19219 [0,2,0,0,0,0|0,0,0]=2 545 B13R1.452 CCOC(=O)c1ccc(cc1)OC A14008 [0,2,0,0,0,0|0,0,0]=2 546 B13R1.466 CCOC(=O)c1ccc(c(c1)N)N A17236 [0,2,0,0,0,0|0,0,0]=2 547 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O A11001 [0,2,0,0,0,0|0,0,0]=2 548 B13R1.1511 CCOC(=O)c1c[nH]c(=O)[nH]c1=O H26507 [0,2,0,0,0,0|2,0,0]=4 549 B13R1.1511 CCOC(=O)c1c[nH]c(=S)[nH]c1=O A17046 [0,2,0,0,0,0|2,0,0]=4 550 B13R1.1511 CCOC(=O)c1ccc(cc1C)C L02759 [0,2,0,0,0,0|0,0,0]=2 551 B13R1.1511 CCOC(=O)c1ccc(cc1F)F A13177 [0,2,0,0,0,0|0,0,0]=2 552 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl H63092 [0,2,0,0,0,0|1,0,0]=3 553 B13R1.1511 CCOC(=O)c1cnc(cc1O)O H63842 [0,2,0,0,0,0|1,0,0]=3 554 B13R1.1511 CCOC(=O)c1cnc(nc1C)Cl H61158 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.1511 CCOC(=O)c1cnc(nc1Cl)Cl H64788 [0,2,0,0,0,0|2,0,0]=4 556 B13R1.1511 CCOC(=O)c1cnc(nc1N)S L07121 [0,2,0,0,0,0|2,0,0]=4 557 B13R1.1511 CCOC(=O)c1cnc(nc1O)C H65453 [0,2,0,0,0,0|2,0,0]=4 558 B13R1.1511 CCOC(=O)c1cnc(nc1O)N L06654 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.18 CCCNC(=O)c1cccc(c1)C H59940 [0,2,0,0,0,0|1,0,0]=3 560 B13R1.18 CCCNC(=O)c1cccc(c1)Cl H58583 [0,2,0,0,0,0|1,0,0]=3 561 B13R1.30 CCNS(=O)(=O)c1cccc(c1)Br H60276 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.30 CCOS(=O)(=O)c1cccc(c1)Br H60540 [0,2,0,0,0,0|1,0,0]=3 563 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl H56655 [0,2,0,0,0,0|1,0,0]=3 564 B13R1.147 CC(C)NC(=O)c1ccnc(c1)Cl H57250 [0,2,0,0,0,0|2,0,0]=4 565 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C H56973 [0,2,0,0,0,0|1,0,0]=3 566 B13R1.446 CCNC(=O)c1cc(ccc1F)F H61163 [0,2,0,0,0,0|1,0,0]=3 567 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Br A10334 [0,2,0,0,0,0|0,0,0]=2 568 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Cl A16094 [0,2,0,0,0,0|0,0,0]=2 569 B13R1.446 CCOC(=O)c1cc(ccc1N)I B25484 [0,2,0,0,0,0|0,0,0]=2 570 B13R1.446 CCOC(=O)c1cc(cnc1C)Br H61385 [0,2,0,0,0,0|1,0,0]=3 571 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F H61646 [0,2,0,0,0,0|1,0,0]=3 572 B13R1.450 CCOC(=O)c1cc(cc(c1)C)C L02890 [0,2,0,0,0,0|0,0,0]=2 573 B13R1.450 CCOC(=O)c1cc(nc(c1)Cl)C H27778 [0,2,0,0,0,0|1,0,0]=3 574 B13R1.450 CCOC(=O)c1cc(nc(c1)O)C H27775 [0,2,0,0,0,0|1,0,0]=3 575 B13R1.460 CCOC(=O)c1cccc(c1)C=O H50945 [0,2,0,0,0,0|0,0,0]=2 576 B13R1.460 CCOC(=O)c1cccc(c1)OC A10902 [0,2,0,0,0,0|0,0,0]=2 577 B13R1.24 CCCCCC(=O)c1ccccc1 A14712 [0,2,0,0,0,0|1,0,0]=3 578 B13R1.24 CCCCOC(=O)c1ccccc1 A17010 [0,2,0,0,0,0|0,0,0]=2 579 B13R1.45 CC(=O)CCC(=O)c1ccccc1 L13151 [0,2,0,0,0,0|1,0,0]=3 580 B13R1.45 CC(=O)OCC(=O)c1ccccc1 L15652 [0,2,0,0,0,0|0,0,1]=3 581 B13R1.45 CC(C)COC(=O)c1ccccc1 A10114 [0,2,0,0,0,0|0,0,0]=2 582 B13R1.45 CC(C)NCC(=O)c1ccccc1 H50799 [0,2,0,0,0,0|1,0,0]=3 583 B13R1.45 CN(C)CCC(=O)c1ccccc1 L01179 [0,2,0,0,0,0|1,0,0]=3 584 B13R1.45 c1ccc(cc1)C(=O)CCC(=O)O A16636 [0,2,0,0,0,0|1,0,1]=4 585 B13R1.45 c1ccc(cc1)C(=O)NCC(=O)O A12690 [0,2,0,0,0,0|1,0,1]=4 586 B13R1.45 c1ccc(cc1)C(=O)NCC(=O)[O-] A11723 [0,2,0,0,0,0|1,0,1]=4 587 B13R1.674 CCCNC(=O)c1ccccc1Cl H59736 [0,2,0,0,0,0|1,0,0]=3 588 B13R1.674 CCCNC(=O)c1ccccc1F H59099 [0,2,0,0,0,0|1,0,0]=3 589 B13R1.674 CCCNC(=O)c1cccnc1Cl H57313 [0,2,0,0,0,0|2,0,0]=4 590 B13R1.86 CCN(CC)C(=O)c1ccccc1 L08427 [0,2,0,0,0,0|1,0,0]=3 591 B13R1.696 CCN(C)C(=O)c1cccnc1Cl H57840 [0,2,0,0,0,0|2,0,0]=4 592 B13R1.347 CC(C)OS(=O)(=O)c1ccccc1 H64523 [0,2,0,0,0,0|1,0,0]=3 593 B13R1.2819 CCNS(=O)(=O)c1ccccc1Br H60312 [0,2,0,0,0,0|2,0,0]=4 594 B13R1.2819 CCOS(=O)(=O)c1ccccc1Br H60402 [0,2,0,0,0,0|1,0,0]=3 595 B13R1.201 CC(C)NC(=O)c1ccccc1Cl H56140 [0,2,0,0,0,0|1,0,0]=3 596 B13R1.201 CC(C)NC(=O)c1ccccc1F H56824 [0,2,0,0,0,0|1,0,0]=3 597 B13R1.201 CC(C)OC(=O)c1ccccc1O B24471 [0,2,0,0,0,0|0,0,0]=2 598 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 L08509 [0,2,0,0,0,0|1,0,0]=3 599 B13R1.352 C[Si](C)(C)OC(=C)c1ccccc1 L05308 [0,2,0,0,0,0|1,1,0]=4 600 B13R1.464 CCNC(=O)c1ccccc1OC H59445 [0,2,0,0,0,0|1,0,0]=3 601 B13R1.464 CCOC(=O)c1ccccc1OC A11287 [0,2,0,0,0,0|0,0,0]=2 602 B13R1.4453 CCOC(=O)c1c(cccc1C)C L07381 [0,2,0,0,0,0|0,0,0]=2 603 B13R1.4453 CCOC(=O)c1c(cccc1Cl)Cl B25275 [0,2,0,0,0,0|0,0,0]=2 604 B13R1.4453 CCOC(=O)c1c(ccnc1C)C L08672 [0,2,0,0,0,0|1,0,0]=3 605 B13R1.4453 CCOC(=O)c1c(ccnc1Cl)I H50085 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.30 CCOC(=O)Cc1cccs1 A15896 [0,0,1,1,0,0|1,0,1]=4 607 B11R1.30 CCOC(=O)Cc1ccsc1 A19694 [0,0,1,1,0,0|1,0,1]=4 608 B11R1.189 CCOc1cccc(c1)C=O A18940 [0,0,1,1,0,0|2,0,0]=4 609 B11R1.41 CCOc1c(cccn1)C=O H50088 [0,0,1,1,0,0|2,0,0]=4 610 B11R1.41 CCOc1ccccc1C=O A15035 [0,0,1,1,0,0|2,0,0]=4 611 B11R2.1 B1(c2ccccc2CO1)O L15192 [1,0,0,1,0,0|1,0,1]=4 612 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [1,0,0,1,0,0|1,0,0]=3 613 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [1,0,0,1,0,0|2,0,0]=4 614 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [1,0,0,1,0,0|0,0,0]=2 615 B11R2.1 c1ccc2c(c1)CCC2N A16585 [1,0,0,1,0,0|1,0,1]=4 616 B11R2.1 c1ccc2c(c1)CCC2O B24536 [1,0,0,1,0,0|0,0,2]=4 617 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [1,0,0,1,0,0|1,0,1]=4 618 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [1,0,0,1,0,0|1,0,1]=4 619 B11R2.1 c1ccc2c(c1)COC2=O A15516 [1,0,0,1,0,0|0,0,0]=2 620 B11R2.1 c1ccc2c(c1)c(=O)[nH]o2 H50899 [1,0,0,1,0,0|2,0,0]=4 621 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 H60492 [1,0,0,1,0,0|2,0,0]=4 622 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [1,0,0,1,0,0|1,0,0]=3 623 B11R2.20 c1ccc2c(c1)CCCC2 A14962 [1,0,0,1,0,0|1,0,1]=4 624 B11R2.20 c1ccc2c(c1)CCCN2 B22750 [1,0,0,1,0,0|2,0,0]=4 625 B11R2.20 c1ccc2c(c1)CCNC2 L08143 [1,0,0,1,0,0|1,0,1]=4 626 B11R2.20 c1ccc2c(c1)CCOC2 A12566 [1,0,0,1,0,0|0,0,1]=3 627 B11R2.238 c1ccc(cc1)SC2CC2 L12321 [1,0,0,1,0,0|2,0,0]=4 628 B11R2.106 c1csc2c1C(=O)CCC2 H60220 [0,0,0,1,1,0|2,0,0]=4 629 B11R2.1031 c1cc(sc1)C(=O)C2CC2 H55262 [0,0,0,1,1,0|2,0,0]=4 630 B13R2.15 c1ccc(cc1)N2CCCC2=O L14660 [0,0,0,1,0,1|1,0,0]=3 631 B13R2.15 c1ccc(cc1)N2CCOC2=O L08484 [0,0,0,1,0,1|0,0,0]=2 632 B13R2.64 c1ccc(cc1)CC2=NCCN2 B21764 [0,0,0,1,0,1|2,0,0]=4 633 B13R2.135 CC[n+]1c(oc2c1cccc2)C A18778 [0,0,0,1,0,1|2,0,0]=4 634 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 H63576 [0,0,0,1,0,1|1,0,0]=3 635 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O A15538 [0,0,0,1,0,1|1,0,1]=4 636 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 A14603 [0,0,0,1,0,1|1,0,1]=4 637 B13R2.3 c1ccc(cc1)C2=CCCCC2 B20602 [0,1,0,1,0,0|2,0,0]=4 638 B13R2.3 c1ccc(cc1)C2CCOCO2 A15838 [0,1,0,1,0,0|1,0,1]=4 639 B13R2.10 Cc1nc(no1)c2ccccc2 B20145 [0,1,0,1,0,0|1,0,1]=4 640 B13R2.10 c1ccc(cc1)C2=NCC(=O)O2 L00194 [0,1,0,1,0,0|1,0,1]=4 641 B13R2.2931 Cn1cc(c2c1cccc2)C=O L02212 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.520 c1cc(ccc1C(=O)C2CC2)Cl B22766 [0,1,0,1,0,0|1,0,0]=3 643 B13R2.520 c1cc(ccc1C(=O)C2CC2)F A15852 [0,1,0,1,0,0|1,0,0]=3 644 B13R2.5179 c1cc2c(cc1Br)CCCC2=O H52381 [0,1,0,1,0,0|1,0,0]=3 645 B13R2.5179 c1cc2c(cc1Br)CN=NC2=O H65609 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.5179 c1cc2c(cc1F)OCCC2=O H31881 [0,1,0,1,0,0|2,0,0]=4 647 B13R2.5179 c1cc2c(cc1N)CCCC2=O H32028 [0,1,0,1,0,0|1,0,0]=3 648 B13R2.5179 c1cc2c(cc1O)CCCC2=O H32840 [0,1,0,1,0,0|1,0,0]=3 649 B13R2.5187 c1cc2c(cc1F)C(=O)OC2=O B21352 [0,1,0,1,0,0|1,0,1]=4 650 B13R2.13 c1cc(cc(c1)Br)C2OCCO2 L19611 [0,1,0,1,0,0|0,0,2]=4 651 B13R2.13 c1cc(cc(c1)N)C2OCCO2 B24779 [0,1,0,1,0,0|0,0,2]=4 652 B13R2.162 c1cc2c(cc1Br)C(=O)CCC2 H50604 [0,1,0,1,0,0|1,0,0]=3 653 B13R2.162 c1cc2c(cc1Br)C(=O)CCS2 H31968 [0,1,0,1,0,0|2,0,0]=4 654 B13R2.162 c1cc2c(cc1Cl)C(=O)CCO2 A14975 [0,1,0,1,0,0|2,0,0]=4 655 B13R2.162 c1cc2c(cc1Cl)C(=O)CCS2 A10304 [0,1,0,1,0,0|2,0,0]=4 656 B13R2.162 c1cc2c(cc1F)C(=O)CCO2 L11209 [0,1,0,1,0,0|2,0,0]=4 657 B13R2.342 c1cc2c(c(c1)O)CCCC2=O A17034 [0,1,0,1,0,0|1,0,0]=3 658 B13R2.4857 Cc1cccc2c1C(=O)OC2=O B22864 [0,1,0,1,0,0|1,0,1]=4 659 B13R2.4857 c1cc2c(c(c1)F)C(=O)OC2=O A12275 [0,1,0,1,0,0|1,0,1]=4 660 B13R2.371 CC1CCC(=O)c2c1cccc2 B21967 [0,1,0,1,0,0|1,0,0]=3 661 B13R2.5252 c1ccc2c(c1)C(=O)OCCO2 L13582 [0,1,0,1,0,0|0,0,0]=2 662 B13R2.8137 c1ccc(cc1)C(=O)C2CCC2 B25146 [0,1,0,1,0,0|1,0,0]=3 663 B13R2.32 CC1CCc2ccccc2C1=O H31865 [0,1,0,1,0,0|1,0,0]=3 664 B13R2.3085 CN1c2ccccc2C(=O)C1=O A12942 [0,1,0,1,0,0|2,0,0]=4 665 B13R2.12159 c1ccc2c(c1)C(=O)OS2(=O)=O A13314 [0,1,0,1,0,0|2,0,0]=4 666 B13R2.18 c1ccc(c(c1)C2OCCO2)Br L19604 [0,1,0,1,0,0|0,0,2]=4 667 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [1,0,0,0,1,0|1,0,0]=3 668 B9R1.11 CCC(=O)c1ccco1 H26754 [1,0,0,0,1,0|1,0,0]=3 669 B9R1.11 CCC(=O)c1cccs1 L02318 [1,0,0,0,1,0|1,0,0]=3 670 B9R1.11 CCC(=O)c1nccs1 B21711 [1,0,0,0,1,0|2,0,0]=4 671 B9R1.11 COC(=O)c1c[nH]cn1 H55932 [1,0,0,0,1,0|2,0,0]=4 672 B9R1.11 COC(=O)c1cc[nH]c1 H54340 [1,0,0,0,1,0|1,0,0]=3 673 B9R1.11 COC(=O)c1cc[nH]n1 H34148 [1,0,0,0,1,0|2,0,0]=4 674 B9R1.11 COC(=O)c1ccc[nH]1 H59437 [1,0,0,0,1,0|1,0,0]=3 675 B9R1.11 COC(=O)c1ccco1 A14009 [1,0,0,0,1,0|1,0,0]=3 676 B9R1.11 COC(=O)c1cccs1 A12677 [1,0,0,0,1,0|1,0,0]=3 677 B9R1.11 COC(=O)c1ccno1 B25169 [1,0,0,0,1,0|2,0,0]=4 678 B9R1.11 COC(=O)c1ccsc1 H61488 [1,0,0,0,1,0|1,0,0]=3 679 B9R1.11 COC(=O)c1nccs1 H63496 [1,0,0,0,1,0|2,0,0]=4 680 B9R1.11 c1cc(sc1)C(=O)CBr H51060 [1,0,0,0,1,0|2,0,0]=4 681 B13R1.42 CCCC(=O)OCc1ccccc1 B24241 [0,0,0,0,0,2|1,0,0]=3 682 B13R1.42 CCOC(=O)C#Cc1ccccc1 L00603 [0,0,0,0,0,2|0,0,0]=2 683 B13R1.42 CCOC(=O)CCc1ccccc1 A13055 [0,0,0,0,0,2|0,0,0]=2 684 B13R1.42 CCOC(=O)CNc1ccccc1 B22282 [0,0,0,0,0,2|0,0,0]=2 685 B13R1.42 CCOC(=O)COc1ccccc1 A14156 [0,0,0,0,0,2|0,0,0]=2 686 B13R1.42 CCOC(=O)COc1cccnc1 H33981 [0,0,0,0,0,2|1,0,0]=3 687 B13R1.42 CCOC(=O)CSc1ccccc1 A18664 [0,0,0,0,0,2|0,0,0]=2 688 B13R1.42 CCOC(=O)\C=C\c1ccccc1 A12906 [0,0,0,0,0,2|0,0,0]=2 689 B13R1.42 CCOC(=O)\C=C\c1cccnc1 H33964 [0,0,0,0,0,2|1,0,0]=3 690 B13R1.42 c1ccc(cc1)COC(=O)CCN A18650 [0,0,0,0,0,2|2,0,0]=4