0 B10R1.15 C#CC(c1ccccc1)O L09549 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.15 CC(C#N)c1ccccc1 A13636 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 CC(C=O)c1ccccc1 B22436 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 CC(CBr)c1ccccc1 L16267 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 CC(CN)c1ccccc1 H36338 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.15 CC(CO)c1ccccc1 B23473 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 CCC(=O)c1ccccc1 A15140 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.15 CCC(=O)c1cccnc1 L09711 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 CCC(=O)c1ccncc1 L11552 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 CCC(C)c1ccccc1 B22962 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.15 CCC(c1ccccc1)O A10830 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.15 CC[C@H](c1ccccc1)N L16319 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.15 CC[C@H](c1ccccc1)O L05681 [0,0,0,0,0,0|1,0,2]=3 15 B10R1.15 CN(C=O)c1ccccc1 A11829 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.15 CNC(=O)c1ccccc1 A18057 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.15 COC(=O)C1=CCCCC1 B25568 [0,0,0,0,0,0|0,0,4]=4 18 B10R1.15 COC(=O)c1ccccc1 44368 [0,0,0,0,0,0|0,0,0]=0 19 B10R1.15 COC(=O)c1ccccc1 A12404 [0,0,0,0,0,0|0,0,0]=0 20 B10R1.15 COC(=O)c1ccccn1 H54530 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.15 COC(=O)c1cccnc1 B23908 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.15 COC(=O)c1ccncc1 B23263 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.15 COC(=O)c1ccnnc1 H27449 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.15 COC(=O)c1cnccn1 A12028 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.15 CSC(=N)c1ccccn1 H51786 [0,0,0,0,0,0|2,1,0]=3 26 B10R1.15 CSC(=N)c1cccnc1 H51776 [0,0,0,0,0,0|2,1,0]=3 27 B10R1.15 CSC(=N)c1ccncc1 H51774 [0,0,0,0,0,0|2,1,0]=3 28 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.15 C\C(=N/O)\c1ccccn1 H52232 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.15 C\C(=N/O)\c1cccnc1 H52154 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.15 C\C(=N/O)\c1ccncc1 H52207 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.15 c1cc(cnc1)C(=O)NN L02059 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.15 c1cc(cnc1)C(=O)[NH2+][O-] H61292 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.15 c1cc(cnc1)\C(=N\O)\N H51749 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.15 c1ccc(cc1)C(CN)O H63932 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.15 c1ccc(cc1)C(CO)O L04551 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.15 c1ccc(cc1)N(N=O)[O-] A16551 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [0,0,0,0,0,0|2,0,2]=4 52 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [0,0,0,0,0,0|2,0,2]=4 54 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [0,0,0,0,0,0|2,0,2]=4 55 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [0,0,0,0,0,0|2,0,2]=4 56 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [0,0,0,0,0,0|3,0,1]=4 57 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.15 c1ccnc(c1)\C(=N\O)\N H51705 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.15 c1cnccc1C(=O)CBr H32285 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.15 c1cnccc1C(=O)NN A10583 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.15 c1cnccc1\C(=N\O)\N H51722 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.6 B(c1ccccc1)(Cl)Cl 32583 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.6 B(c1ccccc1)(O)O A14257 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.6 B(c1ccccc1)(O)O L19459 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.6 B(c1ccccn1)(O)O H53314 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.6 B(c1cccnc1)(O)O L15040 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 B(c1ccncc1)(O)O H52648 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.6 B(c1ccncc1)(O)O L15179 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.6 CC(=C)c1ccccc1 L03609 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.6 CC(=O)c1ccccc1 A12727 [1,0,0,0,0,0|0,0,0]=1 72 B9R1.6 CC(=O)c1ccccn1 A12688 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.6 CC(=O)c1cccnc1 A14246 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.6 CC(=O)c1ccncc1 A12015 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.6 CC(=O)c1ccnnc1 H66461 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.6 CC(=O)c1cnccn1 A15917 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 CC(C)c1ccccc1 A11864 [1,0,0,0,0,0|1,0,1]=3 78 B9R1.6 CC(c1ccccc1)Br A16839 [1,0,0,0,0,0|1,0,1]=3 79 B9R1.6 CC(c1ccccc1)N A15711 [1,0,0,0,0,0|1,0,1]=3 80 B9R1.6 CC(c1ccccc1)O A13837 [1,0,0,0,0,0|0,0,2]=3 81 B9R1.6 CC(c1ccccc1)S H26345 [1,0,0,0,0,0|0,1,1]=3 82 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.6 CC(c1ccccn1)N H26046 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.6 CC(c1cccnc1)N H26047 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.6 CC(c1ccncc1)N H50303 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.6 CC(c1ccncc1)O H58711 [1,0,0,0,0,0|1,0,2]=4 87 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.6 CN(C)c1ccccc1 A11916 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.6 CN(C)c1ccccn1 L02513 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.6 CN(C)c1ccncc1 A13016 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.6 CN(C)c1ccncc1 H51715 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.6 CN(c1ccccc1)N B22440 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.6 CP(C)c1ccccc1 A17975 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.6 CS(=O)c1ccccc1 A15009 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.6 C[C@@H](c1ccccc1)N A12632 [1,0,0,0,0,0|1,0,1]=3 96 B9R1.6 C[C@@H](c1ccccc1)N L19118 [1,0,0,0,0,0|1,0,1]=3 97 B9R1.6 C[C@@H](c1ccccc1)O B21188 [1,0,0,0,0,0|0,0,2]=3 98 B9R1.6 C[C@H](c1ccccc1)N A10967 [1,0,0,0,0,0|1,0,1]=3 99 B9R1.6 C[C@H](c1ccccc1)N L19117 [1,0,0,0,0,0|1,0,1]=3 100 B9R1.6 C[C@H](c1ccccc1)O L19296 [1,0,0,0,0,0|0,0,2]=3 101 B9R1.6 C[C@H](c1ccncc1)O H51033 [1,0,0,0,0,0|1,0,2]=4 102 B9R1.6 C[SiH](C)c1ccccc1 L04558 [1,0,0,0,0,0|1,1,0]=3 103 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [1,0,0,0,0,0|1,0,0]=2 104 B9R1.6 c1c(cncn1)C(=O)O H61406 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.6 c1cc(cnc1)C(=N)N B20406 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.6 c1cc(cnc1)C(=O)N A15970 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.6 c1cc(cnc1)C(=O)O A12683 [1,0,0,0,0,0|1,0,0]=2 109 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [1,0,0,0,0,0|1,0,1]=3 110 B9R1.6 c1cc(cnc1)C(=S)N A11144 [1,0,0,0,0,0|2,1,0]=4 111 B9R1.6 c1cc(cnc1)[N+](=O)[O-] L19627 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.6 c1cc(nnc1)C(=O)O H34341 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.6 c1ccc(cc1)C(=N)N A16002 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [1,0,0,0,0,0|1,0,0]=2 115 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.6 c1ccc(cc1)C(=O)F L11464 [1,0,0,0,0,0|1,0,0]=2 117 B9R1.6 c1ccc(cc1)C(=O)N A10501 [1,0,0,0,0,0|1,0,0]=2 118 B9R1.6 c1ccc(cc1)C(=O)O 36230 [1,0,0,0,0,0|0,0,0]=1 119 B9R1.6 c1ccc(cc1)C(=O)O A14062 [1,0,0,0,0,0|0,0,0]=1 120 B9R1.6 c1ccc(cc1)C(=O)O H25864 [1,0,0,0,0,0|0,0,0]=1 121 B9R1.6 c1ccc(cc1)C(=O)O L19473 [1,0,0,0,0,0|0,0,0]=1 122 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [1,0,0,0,0,0|0,0,1]=2 123 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [1,0,0,0,0,0|0,0,1]=2 124 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [1,0,0,0,0,0|0,0,1]=2 125 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [1,0,0,0,0,0|0,0,1]=2 126 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [1,0,0,0,0,0|0,0,1]=2 127 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [1,0,0,0,0,0|0,0,1]=2 128 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [1,0,0,0,0,0|0,0,1]=2 129 B9R1.6 c1ccc(cc1)C(=S)N A12973 [1,0,0,0,0,0|1,1,0]=3 130 B9R1.6 c1ccc(cc1)C(=S)O B24458 [1,0,0,0,0,0|0,1,0]=2 131 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [1,0,0,0,0,0|0,1,1]=3 132 B9R1.6 c1ccc(cc1)P(=O)O A17453 [1,0,0,0,0,0|1,0,0]=2 133 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [1,0,0,0,0,0|1,0,1]=3 135 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [1,0,0,0,0,0|1,0,1]=3 136 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [1,0,0,0,0,0|1,0,1]=3 137 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [1,0,0,0,0,0|1,0,1]=3 138 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [1,0,0,0,0,0|2,1,0]=4 139 B9R1.6 c1ccnc(c1)C(=N)N A10942 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.6 c1ccnc(c1)C(=O)N A15410 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.6 c1ccnc(c1)C(=O)O A14749 [1,0,0,0,0,0|1,0,0]=2 142 B9R1.6 c1ccnc(c1)C(=S)N H51710 [1,0,0,0,0,0|2,1,0]=4 143 B9R1.6 c1ccnc(c1)[N+](=O)[O-] H33657 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.6 c1cnc(cn1)C(=O)Cl H50418 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.6 c1cnc(cn1)C(=O)O A13363 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.6 c1cnc(nc1)C(=O)O H54745 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.6 c1cnccc1C(=N)N A11050 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.6 c1cnccc1C(=O)Cl A10863 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.6 c1cnccc1C(=O)N A18190 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.6 c1cnccc1C(=O)O A18109 [1,0,0,0,0,0|1,0,0]=2 151 B9R1.6 c1cnccc1C(=S)N B25265 [1,0,0,0,0,0|2,1,0]=4 152 B9R1.6 c1cncnc1C(=O)O H60022 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.6 c1cnncc1C(=O)O H27246 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.8 C#CCc1ccccc1 H53500 [1,0,0,0,0,0|1,0,2]=4 155 B9R1.8 C=CCc1ccccc1 A12965 [1,0,0,0,0,0|1,0,2]=4 156 B9R1.8 CC#Cc1ccccc1 A14272 [1,0,0,0,0,0|1,0,1]=3 157 B9R1.8 CCCc1ccccc1 B21468 [1,0,0,0,0,0|1,0,1]=3 158 B9R1.8 CCNc1ccccc1 A15060 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.8 CCOc1ccccc1 A15501 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.8 CCOc1ccccn1 L05649 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.8 CCSc1ccccc1 A13987 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.8 CNCc1ccccc1 A13746 [1,0,0,0,0,0|1,0,1]=3 163 B9R1.8 CNCc1cccnc1 H50262 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.8 COCc1ccccc1 B23490 [1,0,0,0,0,0|0,0,1]=2 165 B9R1.8 C\N=C\c1ccccc1 B25161 [1,0,0,0,0,0|1,0,0]=2 166 B9R1.8 c1cc(cnc1)\C=N\O B25679 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.8 c1ccc(cc1)CC#N A10694 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.8 c1ccc(cc1)CC=O A14263 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.8 c1ccc(cc1)CCBr A12528 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.8 c1ccc(cc1)CCCl L04891 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.8 c1ccc(cc1)CCN A13402 [1,0,0,0,0,0|2,0,1]=4 172 B9R1.8 c1ccc(cc1)CCO A15241 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.8 c1ccc(cc1)CNN H54916 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.8 c1ccc(cc1)CON A17393 [1,0,0,0,0,0|1,0,1]=3 176 B9R1.8 c1ccc(cc1)CON L13601 [1,0,0,0,0,0|1,0,1]=3 177 B9R1.8 c1ccc(cc1)N=C=O A12808 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.8 c1ccc(cc1)N=C=S A11596 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.8 c1ccc(cc1)N=S=O H59451 [1,0,0,0,0,0|2,1,0]=4 180 B9R1.8 c1ccc(cc1)NC=O A12472 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.8 c1ccc(cc1)OC=O L00289 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.8 c1ccc(cc1)[Se]C#N L20194 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [1,0,0,0,0,0|2,0,0]=3 184 B9R1.8 c1ccc(cc1)\C=N\O A12053 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.8 c1ccnc(c1)\C=N\O A16714 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.8 c1ccnc(c1)\C=N\O B23890 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.8 c1cnccc1\C=N\O A17371 [1,0,0,0,0,0|3,0,0]=4 188 B11R1.7 C=CS(=O)(=O)c1ccccc1 A14794 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.7 CCC(C)(C)c1ccccc1 L03731 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.7 CCS(=O)(=O)c1ccccc1 A10710 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.7 CNS(=O)(=O)c1ccccc1 H55666 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.7 COP(=O)(C)c1ccccc1 A18760 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.7 COS(=O)(=O)c1ccccc1 B24515 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.7 CO[Si](C)(C)c1ccccc1 H27165 [0,1,0,0,0,0|1,1,0]=3 195 B11R1.7 c1ccc(cc1)S(=O)(=O)NN B23971 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.7 c1ccc(cc1)S(=O)(=O)NN L19466 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.12 B(c1ccccn1)(OC)OC H53067 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.12 CCC(C#N)c1ccccc1 A17093 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.12 CCN(CC)c1ccccc1 A10560 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.12 CCP(CC)c1ccccc1 10180 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.12 COC(c1ccccc1)OC A11009 [0,1,0,0,0,0|0,0,2]=3 202 B11R1.12 COP(c1ccccc1)OC A14006 [0,1,0,0,0,0|1,0,1]=3 203 B11R1.12 CO[C@@H](CO)c1ccccc1 L14044 [0,1,0,0,0,0|0,0,2]=3 204 B11R1.12 C\C=C(\C=O)/c1ccccc1 A14185 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.16 C=COC(=O)c1ccccc1 B21805 [0,1,0,0,0,0|0,0,1]=2 206 B11R1.16 CCCC(=O)c1ccccc1 A11345 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.16 CCCC(C)c1ccccc1 B20114 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.16 CCC[C@@H](c1ccccc1)N H27048 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.16 CCC[C@H](c1ccccc1)N H27156 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.16 CCOC(=N)c1ccccc1 L17684 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.16 CCOC(=O)c1ccccc1 44283 [0,1,0,0,0,0|0,0,0]=1 212 B11R1.16 CCOC(=O)c1ccccc1 A13057 [0,1,0,0,0,0|0,0,0]=1 213 B11R1.16 CCOC(=O)c1ccccn1 A13973 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.16 CCOC(=O)c1cccnc1 L03215 [0,1,0,0,0,0|1,0,0]=2 215 B11R1.16 CCOC(=O)c1ccncc1 L03010 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.16 CCOC(=O)c1ccncn1 H64662 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.16 CNCC(c1ccccc1)O L08111 [0,1,0,0,0,0|1,0,2]=4 218 B11R1.16 c1ccc(cc1)C(=O)CC#N A14473 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.16 c1ccc(cc1)C(=O)N=C=O A11583 [0,1,0,0,0,0|1,0,1]=3 221 B11R1.16 c1ccc(cc1)C(=O)N=C=S L06964 [0,1,0,0,0,0|1,0,1]=3 222 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [0,1,0,0,0,0|0,1,0]=2 224 B11R1.16 c1ccc(cc1)C(=O)\C=N\O L02098 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O H55567 [0,1,0,0,0,0|1,0,2]=4 226 B11R1.16 c1ccc(cc1)[C@H](CCCl)O H54847 [0,1,0,0,0,0|1,0,2]=4 227 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [0,1,0,0,0,0|1,0,0]=2 232 B11R1.22 CNC(=O)c1ccc(cc1)Br H57940 [0,1,0,0,0,0|1,0,0]=2 233 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [0,1,0,0,0,0|1,0,0]=2 234 B11R1.22 CNC(=O)c1ccc(cn1)Br H54947 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.22 COC(=O)c1ccc(=O)oc1 B25330 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.22 COC(=O)c1ccc(cc1)Br A15517 [0,1,0,0,0,0|0,0,0]=1 237 B11R1.22 COC(=O)c1ccc(cc1)Cl A10109 [0,1,0,0,0,0|0,0,0]=1 238 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [0,1,0,0,0,0|0,0,0]=1 239 B11R1.22 COC(=O)c1ccc(cc1)I A19342 [0,1,0,0,0,0|0,0,0]=1 240 B11R1.22 COC(=O)c1ccc(cc1)N A11715 [0,1,0,0,0,0|0,0,0]=1 241 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [0,1,0,0,0,0|0,0,0]=1 242 B11R1.22 COC(=O)c1ccc(cn1)Br B25415 [0,1,0,0,0,0|1,0,0]=2 243 B11R1.22 COC(=O)c1ccc(nc1)Cl A10396 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.22 COC(=O)c1ccc(nc1)F H61302 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.22 COC(=O)c1ccc(nc1)N H27575 [0,1,0,0,0,0|1,0,0]=2 246 B11R1.22 COC(=O)c1cnc(cn1)Br H66706 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.22 COC(=O)c1cnc(cn1)Cl H66306 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.22 COC(=O)c1ncc(cn1)Br H61339 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [0,1,0,0,0,0|1,0,0]=2 251 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [0,1,0,0,0,0|0,0,0]=1 253 B11R1.22 Cc1ccc(cc1)\C(=N\O)\N H51704 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.22 Cc1ccc(cn1)C(=O)OC L12276 [0,1,0,0,0,0|1,0,0]=2 255 B11R1.22 c1cc(ccc1C(=O)C=O)F L20272 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.22 c1cc(ccc1C(=O)NN)Br A18918 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.22 c1cc(ccc1C(=O)NN)Cl A11911 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.22 c1cc(ccc1C(=O)NN)F H53496 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.22 c1cc(ccc1C(=O)NN)N A10963 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.22 c1cc(ccc1C(=O)NN)O A12702 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.22 c1cc(ccc1\C(=N\O)\N)F H66567 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.22 c1cc(ccc1\C(=N\O)\N)N H51788 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.22 c1cc(ccc1\C(=N\O)\N)O H52148 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.23 CCC(=O)c1cccc(c1)Br A16757 [0,1,0,0,0,0|1,0,0]=2 271 B11R1.23 CCC(=O)c1cccc(c1)Cl A12542 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.23 CCC(=O)c1cccc(c1)F L11922 [0,1,0,0,0,0|1,0,0]=2 273 B11R1.23 CCC(c1cccc(c1)F)O H32342 [0,1,0,0,0,0|1,0,2]=4 274 B11R1.23 CNC(=O)c1cc(ccn1)Cl H50535 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.23 CNC(=O)c1cccc(c1)Cl H56565 [0,1,0,0,0,0|1,0,0]=2 276 B11R1.23 CNC(=O)c1ccnc(c1)Cl H57458 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.23 COC(=O)c1cc(ccn1)Br H64327 [0,1,0,0,0,0|1,0,0]=2 278 B11R1.23 COC(=O)c1cc(ccn1)Cl H60532 [0,1,0,0,0,0|1,0,0]=2 279 B11R1.23 COC(=O)c1cc(cnc1)Br B20908 [0,1,0,0,0,0|1,0,0]=2 280 B11R1.23 COC(=O)c1cccc(c1)Br A16174 [0,1,0,0,0,0|0,0,0]=1 281 B11R1.23 COC(=O)c1cccc(c1)Cl B21371 [0,1,0,0,0,0|0,0,0]=1 282 B11R1.23 COC(=O)c1cccc(c1)N A14766 [0,1,0,0,0,0|0,0,0]=1 283 B11R1.23 COC(=O)c1cccc(c1)O A14425 [0,1,0,0,0,0|0,0,0]=1 284 B11R1.23 COC(=O)c1cccc(n1)Cl H64023 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.23 COC(=O)c1ccnc(c1)N L19869 [0,1,0,0,0,0|1,0,0]=2 286 B11R1.23 COC(=O)c1cncc(n1)Cl H66682 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.23 Cc1cc(cnc1)C(=O)OC L16371 [0,1,0,0,0,0|1,0,0]=2 288 B11R1.23 Cc1cccc(c1)C(=O)NC H56299 [0,1,0,0,0,0|1,0,0]=2 289 B11R1.23 Cc1cccc(c1)C(=O)NN L01043 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.23 Cc1cccc(c1)C(=O)OC A10893 [0,1,0,0,0,0|0,0,0]=1 291 B11R1.23 Cc1cccc(c1)\C(=N\O)\N H50682 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.23 Cc1cccc(n1)C(=O)OC H33571 [0,1,0,0,0,0|1,0,0]=2 293 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr A15210 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.23 c1cc(cc(c1)Br)C(=O)NN A19628 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr H66077 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN L01071 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO L00286 [0,1,0,0,0,0|1,0,0]=2 298 B11R1.23 c1cc(cc(c1)F)C(=O)C=O L20278 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.23 c1cc(cc(c1)N)C(=O)NN A11491 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.23 c1cc(cc(c1)N)\C(=N\O)\N H51773 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.23 c1cc(cc(c1)O)C(=O)NN L04357 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.23 c1cc(cc(c1)O)\C(=N\O)\N H52246 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.36 CC(=C)C(c1ccccc1)O B20936 [0,1,0,0,0,0|1,0,2]=4 304 B11R1.36 CC(C(=O)c1ccccc1)Br A10661 [0,1,0,0,0,0|1,0,0]=2 305 B11R1.36 CC(C)C(=O)c1ccccc1 B24628 [0,1,0,0,0,0|1,0,0]=2 306 B11R1.36 CC(C)C(c1ccccc1)O B20729 [0,1,0,0,0,0|1,0,2]=4 307 B11R1.36 CC(c1ccccc1)N(C)C A17989 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.36 CN(C)C(=O)c1ccccc1 A18766 [0,1,0,0,0,0|1,0,0]=2 309 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl B23475 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.36 c1ccc(cc1)C(=O)C(F)F H25750 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.222 CCC(=O)c1ccccc1F L12423 [0,1,0,0,0,0|1,0,0]=2 313 B11R1.222 CCC(=O)c1ccccc1O B25442 [0,1,0,0,0,0|1,0,0]=2 314 B11R1.222 CCC(C)c1ccccc1O A18461 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.222 CCC(c1ccccc1F)O H31929 [0,1,0,0,0,0|1,0,2]=4 316 B11R1.222 CNC(=O)c1ccccc1Br H50583 [0,1,0,0,0,0|1,0,0]=2 317 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [0,1,0,0,0,0|1,0,0]=2 318 B11R1.222 CNC(=O)c1ccccc1F H56104 [0,1,0,0,0,0|1,0,0]=2 319 B11R1.222 CNC(=O)c1cccnc1Cl H57963 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.222 COC(=O)c1c(nccn1)Br H63515 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.222 COC(=O)c1c(nccn1)Cl H64508 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.222 COC(=O)c1c(nccn1)N H29172 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.222 COC(=O)c1ccccc1Br A12435 [0,1,0,0,0,0|0,0,0]=1 324 B11R1.222 COC(=O)c1ccccc1Cl A11237 [0,1,0,0,0,0|0,0,0]=1 325 B11R1.222 COC(=O)c1ccccc1F A16133 [0,1,0,0,0,0|0,0,0]=1 326 B11R1.222 COC(=O)c1ccccc1I A13204 [0,1,0,0,0,0|0,0,0]=1 327 B11R1.222 COC(=O)c1ccccc1N A15681 [0,1,0,0,0,0|0,0,0]=1 328 B11R1.222 COC(=O)c1ccccc1O A10578 [0,1,0,0,0,0|0,0,0]=1 329 B11R1.222 COC(=O)c1ccccc1S H28400 [0,1,0,0,0,0|0,0,0]=1 330 B11R1.222 COC(=O)c1cccnc1Cl H64798 [0,1,0,0,0,0|1,0,0]=2 331 B11R1.222 COC(=O)c1cccnc1N H50013 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.222 COC(=O)c1cccnc1O H33334 [0,1,0,0,0,0|1,0,0]=2 333 B11R1.222 COC(=O)c1cccoc1=O H25932 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.222 COC(=O)c1ccncc1N H34007 [0,1,0,0,0,0|1,0,0]=2 335 B11R1.222 COC(=O)c1cnccc1N B25324 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.222 Cc1c(cccn1)C(=O)OC L09074 [0,1,0,0,0,0|1,0,0]=2 337 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.222 Cc1ccccc1C(=O)NN L00668 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.222 Cc1ccccc1C(=O)OC A15695 [0,1,0,0,0,0|0,0,0]=1 340 B11R1.222 Cc1ccccc1\C(=N\O)\N H51719 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl H27303 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.222 c1ccc(c(c1)C(=O)CBr)F H34179 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.222 c1ccc(c(c1)C(=O)NN)Br L00937 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl A11361 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.222 c1ccc(c(c1)C(=O)NN)F B24921 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.222 c1ccc(c(c1)C(=O)NN)N A10805 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.222 c1ccc(c(c1)C(=O)NO)O A11528 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)N H51782 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.222 c1ccc(c(c1)\C(=N\O)\N)O H54898 [0,1,0,0,0,0|3,0,0]=4 352 B11R2.1 B1(c2ccccc2CO1)O L15192 [0,0,0,1,0,0|1,0,1]=3 353 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [0,0,0,1,0,0|3,0,0]=4 354 B11R2.1 Cc1csc2c1cccc2 A15772 [0,0,0,1,0,0|3,0,0]=4 355 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [0,0,0,1,0,0|2,0,0]=3 356 B11R2.1 c1ccc2c(c1)C(=O)N=N2 L05860 [0,0,0,1,0,0|2,0,0]=3 357 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [0,0,0,1,0,0|1,0,0]=2 358 B11R2.1 c1ccc2c(c1)CCC2N A16585 [0,0,0,1,0,0|2,0,1]=4 359 B11R2.1 c1ccc2c(c1)CCC2O B24536 [0,0,0,1,0,0|1,0,2]=4 360 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [0,0,0,1,0,0|2,0,1]=4 361 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [0,0,0,1,0,0|2,0,1]=4 362 B11R2.1 c1ccc2c(c1)COC2=O A15516 [0,0,0,1,0,0|0,0,0]=1 363 B11R2.1 c1ccc2c(c1)c(=O)[nH]o2 H50899 [0,0,0,1,0,0|2,0,0]=3 364 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 H60492 [0,0,0,1,0,0|2,0,0]=3 365 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [0,0,0,1,0,0|3,0,0]=4 366 B11R2.1 c1ccc2c(c1)c(cs2)Br H32948 [0,0,0,1,0,0|3,0,0]=4 367 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [0,0,0,1,0,0|3,0,0]=4 368 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [0,0,0,1,0,0|3,0,0]=4 369 B11R2.1 c1ccc2c(c1)c(ns2)Cl L17791 [0,0,0,1,0,0|3,0,0]=4 370 B11R2.1 c1ccc2c(c1)no[n+]2[O-] L10144 [0,0,0,1,0,0|2,0,1]=4 371 B11R2.1 c1ccn2c(c1)n[nH]c2=O L18705 [0,0,0,1,0,0|3,0,0]=4 372 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [0,0,0,0,1,0|2,0,0]=3 373 B9R1.11 CCC(=O)c1ccco1 H26754 [0,0,0,0,1,0|2,0,0]=3 374 B9R1.11 CCC(=O)c1cccs1 L02318 [0,0,0,0,1,0|2,0,0]=3 375 B9R1.11 CCC(=O)c1nccs1 B21711 [0,0,0,0,1,0|3,0,0]=4 376 B9R1.11 COC(=O)C1CCC=C1 H66743 [0,0,0,0,1,0|0,0,3]=4 377 B9R1.11 COC(=O)c1c[nH]cn1 H55932 [0,0,0,0,1,0|2,0,0]=3 378 B9R1.11 COC(=O)c1cc[nH]c1 H54340 [0,0,0,0,1,0|1,0,0]=2 379 B9R1.11 COC(=O)c1cc[nH]n1 H34148 [0,0,0,0,1,0|2,0,0]=3 380 B9R1.11 COC(=O)c1ccc[nH]1 H59437 [0,0,0,0,1,0|1,0,0]=2 381 B9R1.11 COC(=O)c1ccco1 A14009 [0,0,0,0,1,0|1,0,0]=2 382 B9R1.11 COC(=O)c1cccs1 A12677 [0,0,0,0,1,0|1,0,0]=2 383 B9R1.11 COC(=O)c1ccno1 B25169 [0,0,0,0,1,0|2,0,0]=3 384 B9R1.11 COC(=O)c1ccsc1 H61488 [0,0,0,0,1,0|1,0,0]=2 385 B9R1.11 COC(=O)c1nc[nH]n1 B24750 [0,0,0,0,1,0|3,0,0]=4 386 B9R1.11 COC(=O)c1nccs1 H63496 [0,0,0,0,1,0|2,0,0]=3 387 B9R1.11 c1cc(oc1)C(=O)NN A13630 [0,0,0,0,1,0|3,0,0]=4 388 B9R1.11 c1cc(sc1)C(=O)CBr H51060 [0,0,0,0,1,0|3,0,0]=4 389 B9R1.11 c1cc(sc1)C(=O)NN A11270 [0,0,0,0,1,0|3,0,0]=4 390 B11R1.40 C=CC(=O)Oc1ccccc1 L11819 [0,0,0,0,0,1|1,0,1]=3 391 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [0,0,0,0,0,1|1,0,0]=2 392 B11R1.40 CCN(C)Cc1ccccc1 L08520 [0,0,0,0,0,1|3,0,0]=4 393 B11R1.40 COC(=O)Cc1ccccc1 A15537 [0,0,0,0,0,1|0,0,0]=1 394 B11R1.40 COC(=O)Nc1cccnc1 H63484 [0,0,0,0,0,1|1,0,0]=2 395 B11R1.40 COC(=O)Oc1ccccc1 B25232 [0,0,0,0,0,1|0,0,0]=1 396 B11R1.40 C\C(=C/c1ccccc1)\C=O A10429 [0,0,0,0,0,1|3,0,0]=4 397 B11R1.40 c1ccc(cc1)C\C(=N\O)\N H58835 [0,0,0,0,0,1|3,0,0]=4 398 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [0,0,0,0,0,1|2,0,0]=3 399 B11R1.40 c1ccc(cc1)NC(=S)NN A15349 [0,0,0,0,0,1|2,1,0]=4 400 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [0,0,0,0,0,1|2,0,0]=3 401 B11R1.40 c1ccc(cc1)\C=C(\C=O)/Br A14230 [0,0,0,0,0,1|3,0,0]=4 402 B8R1.2 C#Cc1ccccc1 A12139 [2,0,0,0,0,0|0,0,2]=4 403 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|0,0,1]=3 404 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|0,0,1]=3 405 B8R1.2 C=Cc1ccccn1 A14056 [2,0,0,0,0,0|1,0,1]=4 406 B8R1.2 C=Cc1ccncc1 H36621 [2,0,0,0,0,0|1,0,1]=4 407 B8R1.2 C=Cc1ccncc1 L13316 [2,0,0,0,0,0|1,0,1]=4 408 B8R1.2 CC[n+]1ccccc1 A17911 [2,0,0,0,0,0|1,0,1]=4 409 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|0,0,1]=3 410 B8R1.2 CCc1ccccn1 A17352 [2,0,0,0,0,0|1,0,1]=4 411 B8R1.2 CCc1cccnc1 B20318 [2,0,0,0,0,0|1,0,1]=4 412 B8R1.2 CCc1ccncc1 A12883 [2,0,0,0,0,0|1,0,1]=4 413 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|1,0,0]=3 414 B8R1.2 CNc1ccccn1 B23589 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.2 CNc1cccnc1 H63602 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.2 CNc1ccncc1 L19626 [2,0,0,0,0,0|2,0,0]=4 417 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|0,0,0]=2 418 B8R1.2 COc1ccccn1 A13675 [2,0,0,0,0,0|1,0,0]=3 419 B8R1.2 COc1ccncc1 L19625 [2,0,0,0,0,0|1,0,0]=3 420 B8R1.2 COc1cnccn1 A10297 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|0,1,0]=3 422 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|1,0,0]=3 423 B8R1.2 [2H]Oc1ccccc1 H51100 [2,0,0,0,0,0|1,0,0]=3 424 B8R1.2 [C-]#Cc1ccccc1 17538 [2,0,0,0,0,0|0,0,2]=4 425 B8R1.2 c1c(cncn1)C=O H54448 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.2 c1cc(cnc1)C=O A14607 [2,0,0,0,0,0|1,0,0]=3 427 B8R1.2 c1cc(cnc1)CO A10381 [2,0,0,0,0,0|1,0,1]=4 428 B8R1.2 c1ccc(cc1)C#N 10004 [2,0,0,0,0,0|1,0,1]=4 429 B8R1.2 c1ccc(cc1)C#N 10006 [2,0,0,0,0,0|1,0,1]=4 430 B8R1.2 c1ccc(cc1)C#N A11173 [2,0,0,0,0,0|1,0,1]=4 431 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|0,0,0]=2 432 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|0,0,0]=2 433 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|0,0,0]=2 434 B8R1.2 c1ccc(cc1)CBr A13535 [2,0,0,0,0,0|1,0,1]=4 435 B8R1.2 c1ccc(cc1)CCl A12481 [2,0,0,0,0,0|1,0,1]=4 436 B8R1.2 c1ccc(cc1)CN A10997 [2,0,0,0,0,0|1,0,1]=4 437 B8R1.2 c1ccc(cc1)CN L04102 [2,0,0,0,0,0|1,0,1]=4 438 B8R1.2 c1ccc(cc1)CN L19471 [2,0,0,0,0,0|1,0,1]=4 439 B8R1.2 c1ccc(cc1)CO 41218 [2,0,0,0,0,0|0,0,1]=3 440 B8R1.2 c1ccc(cc1)CO L03292 [2,0,0,0,0,0|0,0,1]=3 441 B8R1.2 c1ccc(cc1)CO L19592 [2,0,0,0,0,0|0,0,1]=3 442 B8R1.2 c1ccc(cc1)CS 44466 [2,0,0,0,0,0|0,1,1]=4 443 B8R1.2 c1ccc(cc1)CS B20081 [2,0,0,0,0,0|0,1,1]=4 444 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [2,0,0,0,0,0|1,0,1]=4 445 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [2,0,0,0,0,0|1,0,1]=4 446 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [2,0,0,0,0,0|1,0,1]=4 447 B8R1.2 c1ccc(cc1)I=O B24531 [2,0,0,0,0,0|1,0,0]=3 448 B8R1.2 c1ccc(cc1)NN A11246 [2,0,0,0,0,0|2,0,0]=4 449 B8R1.2 c1ccc(cc1)NN A14645 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.2 c1ccc(cc1)[As]=O A14674 [2,0,0,0,0,0|1,0,0]=3 451 B8R1.2 c1ccc(cc1)[Se]Br A11906 [2,0,0,0,0,0|1,1,0]=4 452 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [2,0,0,0,0,0|1,1,0]=4 453 B8R1.2 c1ccnc(c1)C=O A11391 [2,0,0,0,0,0|1,0,0]=3 454 B8R1.2 c1ccnc(c1)CO A15005 [2,0,0,0,0,0|1,0,1]=4 455 B8R1.2 c1cnccc1C=O A10656 [2,0,0,0,0,0|1,0,0]=3 456 B8R1.2 c1cnccc1CO A14698 [2,0,0,0,0,0|1,0,1]=4 457 B10R1.13 B(c1ccc(cc1)Br)(O)O L01565 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.13 B(c1ccc(cc1)C)(O)O A13347 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.13 B(c1ccc(cc1)Cl)(O)O A15657 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.13 B(c1ccc(cc1)F)(O)O A15991 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.13 B(c1ccc(cc1)I)(O)O H51119 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.13 B(c1ccc(cc1)N)(O)O H27479 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.13 B(c1ccc(cc1)O)(O)O L15594 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [1,1,0,0,0,0|0,0,0]=2 467 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [1,1,0,0,0,0|0,0,0]=2 468 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [1,1,0,0,0,0|0,0,0]=2 469 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [1,1,0,0,0,0|0,0,0]=2 470 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [1,1,0,0,0,0|0,0,0]=2 471 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [1,1,0,0,0,0|0,0,0]=2 472 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.13 CC(C)c1ccc(cc1)I B25476 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.13 CC(C)c1ccc(cc1)N A14646 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.13 CC(C)c1ccc(cc1)O B22620 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.13 CC(C)c1ccc(cc1)S A16038 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [1,1,0,0,0,0|0,0,2]=4 481 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [1,1,0,0,0,0|0,0,2]=4 482 B10R1.13 CC(c1ccc(cc1)F)N L04575 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.13 CC(c1ccc(cc1)F)O B22097 [1,1,0,0,0,0|0,0,2]=4 484 B10R1.13 CC(c1ccc(cc1)N)O L03341 [1,1,0,0,0,0|0,0,2]=4 485 B10R1.13 CC(c1ccc(cc1)O)N H63700 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.13 CN(C)c1ccc(cc1)N A10343 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.13 CN(C)c1ccc(cc1)N A14175 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.13 CN(C)c1ccc(cc1)N A15962 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [1,1,0,0,0,0|0,0,0]=2 501 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [1,1,0,0,0,0|0,0,0]=2 504 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [1,1,0,0,0,0|1,1,0]=4 505 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [1,1,0,0,0,0|0,0,2]=4 507 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [1,1,0,0,0,0|1,0,0]=3 515 B10R1.13 Cc1cnc(cn1)C(=O)O A14011 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.13 Cc1ncc(cn1)C(=O)O H64375 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.13 c1c(cnc(n1)C(=O)O)Br H64041 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.13 c1c(ncc(n1)Br)C(=O)O H66382 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.13 c1c(ncc(n1)Cl)C(=O)O H32596 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.13 c1c(ncc(n1)N)C(=O)O H66207 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [1,1,0,0,0,0|1,0,0]=3 535 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [1,1,0,0,0,0|0,0,0]=2 538 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [1,1,0,0,0,0|0,0,0]=2 539 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [1,1,0,0,0,0|0,0,0]=2 540 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [1,1,0,0,0,0|0,0,0]=2 541 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [1,1,0,0,0,0|0,0,0]=2 542 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [1,1,0,0,0,0|0,0,0]=2 543 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [1,1,0,0,0,0|0,0,1]=3 544 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [1,1,0,0,0,0|1,1,0]=4 545 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [1,1,0,0,0,0|1,1,0]=4 546 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [1,1,0,0,0,0|1,1,0]=4 547 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [1,1,0,0,0,0|1,1,0]=4 548 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [1,1,0,0,0,0|1,1,0]=4 549 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] A10369 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.13 c1cc(ccc1S(=O)[O-])Br B20281 [1,1,0,0,0,0|1,0,1]=4 552 B10R1.13 c1cc(ccc1S(=O)[O-])Cl A12583 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br A17705 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A15396 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.13 c1cc(ccc1[N+](=O)[O-])F A11057 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.13 c1cc(ccc1[N+](=O)[O-])I B23950 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.13 c1cc(ccc1[N+](=O)[O-])O A14376 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.13 c1cc(ccc1[N+](=O)[O-])S H59240 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.13 c1cc(ncc1Br)C(=O)Cl H61760 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.13 c1cc(ncc1C(=O)Cl)Cl A12354 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.13 c1cc(ncc1C(=O)N)Cl B21922 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.13 c1cc(ncc1C(=O)N)N L06692 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.28 CC(C)(C)c1ccccc1 A12378 [1,1,0,0,0,0|1,0,1]=4 574 B10R1.28 CC(C)(C)c1ccccc1 L19048 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.28 CC(C)(c1ccccc1)N H26845 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.28 CC(C)(c1ccccc1)O A15580 [1,1,0,0,0,0|0,0,2]=4 577 B10R1.28 CP(=O)(c1ccccc1)Cl A18349 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.28 CP(=O)(c1ccccc1)O A19774 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.28 CS(=O)(=O)c1ccccc1 A11727 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.28 C[N+](C)(C)c1ccccc1 A14402 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.28 C[N+](C)(C)c1ccccc1 A15326 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.28 C[N+](C)(C)c1ccccc1 B22851 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.28 C[S@@](=N)(=O)c1ccccc1 L08562 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.28 C[S@](=N)(=O)c1ccccc1 L08618 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.28 C[Si](C)(C)c1ccccc1 L02876 [1,1,0,0,0,0|1,1,0]=4 586 B10R1.28 C[Si](C)(c1ccccc1)Cl A15638 [1,1,0,0,0,0|1,1,0]=4 587 B10R1.28 C[Si](C)(c1ccccc1)O H27377 [1,1,0,0,0,0|0,1,1]=4 588 B10R1.28 C[Si](C)(c1ccccc1)[O-] H28457 [1,1,0,0,0,0|0,1,1]=4 589 B10R1.28 C[Si](c1ccccc1)(Cl)Cl B23999 [1,1,0,0,0,0|1,1,0]=4 590 B10R1.28 c1cc(cnc1)S(=O)(=O)O A13101 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl A13777 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.28 c1ccc(cc1)P(=O)(O)O B22939 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl A10849 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl L19465 [1,1,0,0,0,0|1,0,1]=4 595 B10R1.28 c1ccc(cc1)S(=O)(=O)F L04689 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.28 c1ccc(cc1)S(=O)(=O)N A10891 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.28 c1ccc(cc1)S(=O)(=O)O A16148 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.28 c1ccc(cc1)S(=O)(=O)O L19077 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] L12072 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.28 c1ccc(cc1)[As](=O)(O)O A10625 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.61 B(c1ccccc1Br)(O)O L18581 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.61 B(c1ccccc1C)(O)O B23154 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.61 B(c1ccccc1Cl)(O)O B23324 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.61 B(c1ccccc1F)(O)O B23103 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.61 B(c1ccccc1N)(O)O L18069 [1,1,0,0,0,0|1,0,1]=4 606 B10R1.61 B(c1ccccc1O)(O)O L19400 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.61 CC(=O)c1ccccc1Br A11982 [1,1,0,0,0,0|0,0,0]=2 608 B10R1.61 CC(=O)c1ccccc1Cl A15232 [1,1,0,0,0,0|0,0,0]=2 609 B10R1.61 CC(=O)c1ccccc1F A15128 [1,1,0,0,0,0|0,0,0]=2 610 B10R1.61 CC(=O)c1ccccc1I B25345 [1,1,0,0,0,0|0,0,0]=2 611 B10R1.61 CC(=O)c1ccccc1N A10895 [1,1,0,0,0,0|0,0,0]=2 612 B10R1.61 CC(=O)c1ccccc1O A12550 [1,1,0,0,0,0|0,0,0]=2 613 B10R1.61 CC(C)c1ccccc1Br L00941 [1,1,0,0,0,0|1,0,1]=4 614 B10R1.61 CC(C)c1ccccc1I L01533 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.61 CC(C)c1ccccc1N A14671 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.61 CC(C)c1ccccc1O A12027 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.61 CC(c1ccccc1Cl)O B24800 [1,1,0,0,0,0|0,0,2]=4 618 B10R1.61 CC(c1ccccc1F)O H31900 [1,1,0,0,0,0|0,0,2]=4 619 B10R1.61 CN(C)c1ccccc1Br B25564 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [1,1,0,0,0,0|0,0,2]=4 621 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [1,1,0,0,0,0|0,0,2]=4 622 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [1,1,0,0,0,0|0,0,2]=4 623 B10R1.61 Cc1c(nccn1)C(=O)C A15054 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.61 Cc1ccccc1C(=C)C H26073 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.61 Cc1ccccc1C(=O)C A11695 [1,1,0,0,0,0|0,0,0]=2 626 B10R1.61 Cc1ccccc1C(=O)Cl A10775 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.61 Cc1ccccc1C(=O)O A13856 [1,1,0,0,0,0|0,0,0]=2 628 B10R1.61 Cc1ccccc1C(=S)N H51790 [1,1,0,0,0,0|1,1,0]=4 629 B10R1.61 Cc1ccccc1C(C)O L08065 [1,1,0,0,0,0|0,0,2]=4 630 B10R1.61 Cc1ccccc1[N+](=O)[O-] A13446 [1,1,0,0,0,0|1,0,1]=4 631 B10R1.61 Cc1ccncc1C(=O)C H33380 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.61 Cc1ccncc1C(=O)O B22367 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.61 c1cc(c(nc1)Br)C(=O)O H30239 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.61 c1cc(c(nc1)C(=O)O)Br H64258 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.61 c1cc(c(nc1)C(=O)O)Cl H26024 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.61 c1cc(c(nc1)C(=O)O)F H61458 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.61 c1cc(c(nc1)C(=O)O)O L07489 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl A11048 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.61 c1cc(c(nc1)Cl)C(=O)N A12090 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A17082 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.61 c1cc(c(nc1)F)C(=O)O L19442 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.61 c1cc(c(nc1)N)C(=O)N H66202 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [1,1,0,0,0,0|1,0,0]=3 645 B10R1.61 c1cc(c(nc1)O)C(=O)O A15986 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.61 c1cc(c(nc1)S)C(=O)O A14683 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br A14520 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl A14785 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.61 c1ccc(c(c1)C(=O)Cl)F A16096 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.61 c1ccc(c(c1)C(=O)Cl)I A13558 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [1,1,0,0,0,0|1,0,0]=3 655 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [1,1,0,0,0,0|1,0,0]=3 656 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [1,1,0,0,0,0|0,0,0]=2 657 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [1,1,0,0,0,0|0,0,0]=2 658 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [1,1,0,0,0,0|0,0,0]=2 659 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [1,1,0,0,0,0|0,0,0]=2 660 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [1,1,0,0,0,0|0,0,0]=2 661 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [1,1,0,0,0,0|0,0,0]=2 662 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [1,1,0,0,0,0|0,0,0]=2 663 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [1,1,0,0,0,0|0,0,0]=2 664 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 18585 [1,1,0,0,0,0|0,0,1]=3 665 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39356 [1,1,0,0,0,0|0,0,1]=3 666 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39379 [1,1,0,0,0,0|0,0,1]=3 667 B10R1.61 c1ccc(c(c1)C(=O)[O-])O A17056 [1,1,0,0,0,0|0,0,1]=3 668 B10R1.61 c1ccc(c(c1)C(=S)N)Br H55238 [1,1,0,0,0,0|1,1,0]=4 669 B10R1.61 c1ccc(c(c1)C(=S)N)Cl L11180 [1,1,0,0,0,0|1,1,0]=4 670 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [1,1,0,0,0,0|1,1,0]=4 671 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] A11055 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br A11686 [1,1,0,0,0,0|1,0,1]=4 673 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A15403 [1,1,0,0,0,0|1,0,1]=4 674 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F A13852 [1,1,0,0,0,0|1,0,1]=4 675 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I A12100 [1,1,0,0,0,0|1,0,1]=4 676 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A12333 [1,1,0,0,0,0|1,0,1]=4 677 B10R1.61 c1cnc(c(n1)C(=O)O)N B23707 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.61 c1cncc(c1Br)C(=O)O H66322 [1,1,0,0,0,0|1,0,0]=3 679 B10R1.61 c1cncc(c1C(=O)O)Br H31047 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.61 c1cncc(c1C(=O)O)Cl H63669 [1,1,0,0,0,0|1,0,0]=3 681 B10R1.61 c1cncc(c1C(=O)O)F L20042 [1,1,0,0,0,0|1,0,0]=3 682 B10R1.61 c1cncc(c1C(=O)O)N H28714 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.61 c1cncc(c1C(=O)O)O H63465 [1,1,0,0,0,0|1,0,0]=3 684 B10R1.61 c1cncc(c1Cl)C(=O)O L20029 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.61 c1cncc(c1N)C(=O)O H50032 [1,1,0,0,0,0|1,0,0]=3 686 B10R1.61 c1cncc(c1O)C(=O)O H32282 [1,1,0,0,0,0|1,0,0]=3 687 B10R1.113 B(c1cccc(c1)Br)(O)O L16354 [1,1,0,0,0,0|1,0,1]=4 688 B10R1.113 B(c1cccc(c1)C)(O)O B23025 [1,1,0,0,0,0|1,0,1]=4 689 B10R1.113 B(c1cccc(c1)Cl)(O)O B24444 [1,1,0,0,0,0|1,0,1]=4 690 B10R1.113 B(c1cccc(c1)F)(O)O B21247 [1,1,0,0,0,0|1,0,1]=4 691 B10R1.113 B(c1cccc(c1)I)(O)O H51112 [1,1,0,0,0,0|1,0,1]=4 692 B10R1.113 B(c1cccc(c1)N)(O)O A17240 [1,1,0,0,0,0|1,0,1]=4 693 B10R1.113 B(c1cccc(c1)N)(O)O A18189 [1,1,0,0,0,0|1,0,1]=4 694 B10R1.113 B(c1cccc(c1)N)(O)O H52595 [1,1,0,0,0,0|1,0,1]=4 695 B10R1.113 B(c1cccc(c1)N)(O)O H52909 [1,1,0,0,0,0|1,0,1]=4 696 B10R1.113 B(c1cccc(c1)O)(O)O L19061 [1,1,0,0,0,0|1,0,1]=4 697 B10R1.113 CC(=O)c1cc(ccn1)Br H66562 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.113 CC(=O)c1cc(cnc1)Br L19362 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [1,1,0,0,0,0|0,0,0]=2 700 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [1,1,0,0,0,0|0,0,0]=2 701 B10R1.113 CC(=O)c1cccc(c1)F A11733 [1,1,0,0,0,0|0,0,0]=2 702 B10R1.113 CC(=O)c1cccc(c1)N A12503 [1,1,0,0,0,0|0,0,0]=2 703 B10R1.113 CC(=O)c1cccc(c1)O A12547 [1,1,0,0,0,0|0,0,0]=2 704 B10R1.113 CC(=O)c1cccc(n1)Br H55981 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.113 CC(=O)c1ccnc(c1)Cl H33619 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.113 CC(C)c1cccc(c1)Br L17654 [1,1,0,0,0,0|1,0,1]=4 707 B10R1.113 CC(c1cccc(c1)Cl)O L04783 [1,1,0,0,0,0|0,0,2]=4 708 B10R1.113 CC(c1cccc(c1)F)O B23144 [1,1,0,0,0,0|0,0,2]=4 709 B10R1.113 CC(c1cccc(c1)N)O L06513 [1,1,0,0,0,0|0,0,2]=4 710 B10R1.113 CN(C)c1cccc(c1)Br L17279 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.113 CN(C)c1cccc(c1)Cl L08563 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.113 CN(C)c1cccc(c1)N L00403 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.113 CN(C)c1cccc(c1)O B23067 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.113 C[C@@H](c1cccc(c1)Br)N H26998 [1,1,0,0,0,0|1,0,1]=4 715 B10R1.113 C[C@@H](c1cccc(c1)Cl)N H27637 [1,1,0,0,0,0|1,0,1]=4 716 B10R1.113 C[C@H](c1cccc(c1)Br)N H27636 [1,1,0,0,0,0|1,0,1]=4 717 B10R1.113 C[C@H](c1cccc(c1)Cl)N H27461 [1,1,0,0,0,0|1,0,1]=4 718 B10R1.113 Cc1cc(ccn1)C(=O)O H57969 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.113 Cc1cc(cnc1)C(=O)N L18970 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.113 Cc1cc(cnc1)C(=O)O L16370 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [1,1,0,0,0,0|1,0,0]=3 722 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [1,1,0,0,0,0|0,0,0]=2 723 B10R1.113 Cc1cccc(c1)C(=O)Cl B23914 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.113 Cc1cccc(c1)C(=O)O A13785 [1,1,0,0,0,0|0,0,0]=2 726 B10R1.113 Cc1cccc(c1)C(=S)N H26468 [1,1,0,0,0,0|1,1,0]=4 727 B10R1.113 Cc1cccc(c1)C(C)O H32784 [1,1,0,0,0,0|0,0,2]=4 728 B10R1.113 Cc1cccc(c1)N(C)C A13326 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.113 Cc1cccc(n1)C(=O)C H65997 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.113 Cc1cccc(n1)C(=O)O H26302 [1,1,0,0,0,0|1,0,0]=3 731 B10R1.113 c1c(cncc1Br)C(=O)Cl L15510 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.113 c1c(cncc1Br)C(=O)N A17840 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.113 c1c(cncc1Br)C(=O)O A13589 [1,1,0,0,0,0|1,0,0]=3 734 B10R1.113 c1c(cncc1Cl)C(=O)O H26804 [1,1,0,0,0,0|1,0,0]=3 735 B10R1.113 c1c(cncc1F)C(=O)O H61162 [1,1,0,0,0,0|1,0,0]=3 736 B10R1.113 c1c(cncc1N)C(=O)O H60192 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.113 c1c(cncc1O)C(=O)O H30725 [1,1,0,0,0,0|1,0,0]=3 738 B10R1.113 c1c(nc(cn1)Cl)C(=O)O H66404 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl A15256 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [1,1,0,0,0,0|1,0,0]=3 741 B10R1.113 c1cc(cc(c1)Br)C(=O)O A12606 [1,1,0,0,0,0|0,0,0]=2 742 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A13509 [1,1,0,0,0,0|1,0,0]=3 743 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [1,1,0,0,0,0|1,0,0]=3 744 B10R1.113 c1cc(cc(c1)Cl)C(=O)O A10876 [1,1,0,0,0,0|0,0,0]=2 745 B10R1.113 c1cc(cc(c1)Cl)C(=S)N H26423 [1,1,0,0,0,0|1,1,0]=4 746 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] B23423 [1,1,0,0,0,0|1,0,1]=4 747 B10R1.113 c1cc(cc(c1)F)C(=O)Cl L09152 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [1,1,0,0,0,0|1,0,0]=3 749 B10R1.113 c1cc(cc(c1)F)C(=O)O A16511 [1,1,0,0,0,0|0,0,0]=2 750 B10R1.113 c1cc(cc(c1)F)[N+](=O)[O-] B25553 [1,1,0,0,0,0|1,0,1]=4 751 B10R1.113 c1cc(cc(c1)I)C(=O)Cl L17451 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.113 c1cc(cc(c1)I)C(=O)O A11515 [1,1,0,0,0,0|0,0,0]=2 753 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] B21605 [1,1,0,0,0,0|1,0,1]=4 754 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.113 c1cc(cc(c1)N)C(=O)O A19540 [1,1,0,0,0,0|0,0,0]=2 756 B10R1.113 c1cc(cc(c1)N)C(=O)O L08407 [1,1,0,0,0,0|0,0,0]=2 757 B10R1.113 c1cc(cc(c1)N)C(=S)N H51806 [1,1,0,0,0,0|1,1,0]=4 758 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [1,1,0,0,0,0|0,0,0]=2 759 B10R1.113 c1cc(cc(c1)O)C(=S)N H52236 [1,1,0,0,0,0|1,1,0]=4 760 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] A15312 [1,1,0,0,0,0|1,0,1]=4 761 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N A10629 [1,1,0,0,0,0|1,0,1]=4 762 B10R1.113 c1cc(nc(c1)Br)C(=O)N H31811 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.113 c1cc(nc(c1)Br)C(=O)O H30553 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.113 c1cc(nc(c1)Cl)C(=O)N H33547 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.113 c1cc(nc(c1)Cl)C(=O)O L19448 [1,1,0,0,0,0|1,0,0]=3 766 B10R1.113 c1cc(nc(c1)F)C(=O)N H32911 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.113 c1cc(nc(c1)F)C(=O)O H26106 [1,1,0,0,0,0|1,0,0]=3 768 B10R1.113 c1cc(nc(c1)N)C(=O)O H31861 [1,1,0,0,0,0|1,0,0]=3 769 B10R1.113 c1cnc(cc1Br)C(=O)O H64244 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.113 c1cnc(cc1C(=O)N)Br L19854 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.113 c1cnc(cc1C(=O)N)Cl H25769 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.113 c1cnc(cc1C(=O)N)I H31468 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.113 c1cnc(cc1C(=O)N)N L19843 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.113 c1cnc(cc1C(=O)O)Br L19855 [1,1,0,0,0,0|1,0,0]=3 775 B10R1.113 c1cnc(cc1C(=O)O)Cl L19449 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.113 c1cnc(cc1C(=O)O)F 44755 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.113 c1cnc(cc1C(=O)O)I H31002 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.113 c1cnc(cc1C(=O)O)N L19845 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.113 c1cnc(cc1C(=O)O)O H64241 [1,1,0,0,0,0|1,0,0]=3 780 B10R1.113 c1cnc(cc1Cl)C(=O)N H65265 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.113 c1cnc(cc1Cl)C(=O)O H32301 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.113 c1cnc(cc1O)C(=O)O H34262 [1,1,0,0,0,0|1,0,0]=3 783 B10R1.1 CCCc1ccc(cc1)Br H26236 [1,1,0,0,0,0|1,0,1]=4 784 B10R1.1 CCCc1ccc(cc1)I L05767 [1,1,0,0,0,0|1,0,1]=4 785 B10R1.1 CCCc1ccc(cc1)N L03880 [1,1,0,0,0,0|1,0,1]=4 786 B10R1.1 CCCc1ccc(cc1)O A15342 [1,1,0,0,0,0|1,0,1]=4 787 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [1,1,0,0,0,0|1,0,1]=4 788 B10R1.1 CCOc1ccc(cc1)Br B21398 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.1 CCOc1ccc(cc1)I B21644 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.1 CCOc1ccc(cc1)N A10416 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.1 CCOc1ccc(cc1)O B20584 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.1 CCSc1ccc(cc1)Br L13718 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.1 CNCc1ccc(cc1)Br H54506 [1,1,0,0,0,0|1,0,1]=4 794 B10R1.1 CNCc1ccc(cc1)Cl H63294 [1,1,0,0,0,0|1,0,1]=4 795 B10R1.1 CNCc1ccc(cc1)F H54369 [1,1,0,0,0,0|1,0,1]=4 796 B10R1.4 CCCc1ccccc1O A11088 [1,1,0,0,0,0|1,0,1]=4 797 B10R1.4 CCNc1ccccc1C A11315 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.4 CCOc1ccccc1O B24755 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.4 CNCc1ccccc1Br H63390 [1,1,0,0,0,0|1,0,1]=4 800 B10R1.4 CNCc1ccccc1Cl H54680 [1,1,0,0,0,0|1,0,1]=4 801 B10R1.4 CNCc1ccccc1F H54439 [1,1,0,0,0,0|1,0,1]=4 802 B10R1.4 Cc1ccccc1CNC H63956 [1,1,0,0,0,0|1,0,1]=4 803 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.4 c1ccc(c(c1)\C=N\O)Br B23023 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.4 c1ccc(c(c1)\C=N\O)O A11080 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.10 CCCc1cccc(c1)O B21266 [1,1,0,0,0,0|1,0,1]=4 807 B10R1.10 CCOc1cccc(c1)Br B21418 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.10 CCOc1cccc(c1)O B24266 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.10 CNCc1cccc(c1)Br H54294 [1,1,0,0,0,0|1,0,1]=4 810 B10R1.10 CNCc1cccc(c1)Cl H54986 [1,1,0,0,0,0|1,0,1]=4 811 B10R1.10 CNCc1cccc(c1)F H56177 [1,1,0,0,0,0|1,0,1]=4 812 B10R1.10 Cc1cccc(c1)CNC H63231 [1,1,0,0,0,0|1,0,1]=4 813 B10R1.10 c1cc(cc(c1)Br)\C=N\O B25181 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.17 CCC#Cc1ccccc1 A11332 [1,1,0,0,0,0|1,0,1]=4 815 B10R1.17 CCCCc1ccccc1 A10910 [1,1,0,0,0,0|1,0,1]=4 816 B10R1.17 CCNCc1ccccc1 L05651 [1,1,0,0,0,0|1,0,1]=4 817 B10R1.17 c1ccc(cc1)C#CCCl H53510 [1,1,0,0,0,0|1,0,1]=4 818 B10R1.17 c1ccc(cc1)C#CCO 43778 [1,1,0,0,0,0|1,0,1]=4 819 B10R1.17 c1ccc(cc1)C#CCO L06337 [1,1,0,0,0,0|1,0,1]=4 820 B10R1.17 c1ccc(cc1)CCCBr A14050 [1,1,0,0,0,0|1,0,1]=4 821 B10R1.17 c1ccc(cc1)CCCCl B20445 [1,1,0,0,0,0|1,0,1]=4 822 B10R1.17 c1ccc(cc1)CCCI H53420 [1,1,0,0,0,0|1,0,1]=4 823 B10R1.17 c1ccc(cc1)CCCN L03023 [1,1,0,0,0,0|1,0,1]=4 824 B10R1.17 c1ccc(cc1)CCCO A13022 [1,1,0,0,0,0|1,0,1]=4 825 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [1,1,0,0,0,0|1,0,1]=4 826 B10R1.17 c1ccc(cc1)COC=O L13405 [1,1,0,0,0,0|0,0,2]=4 827 B10R1.17 c1ccc(cc1)COCCl H60207 [1,1,0,0,0,0|0,0,1]=3 828 B10R1.17 c1ccc(cc1)NCCN L03786 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.17 c1ccc(cc1)NCCO B22131 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.17 c1ccc(cc1)OCCBr B21087 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.17 c1ccc(cc1)OCCCl L11345 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.17 c1ccc(cc1)OCCN A12225 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.17 c1ccc(cc1)OCCO A10786 [1,1,0,0,0,0|2,0,0]=4 834 B10R1.17 c1ccc(cc1)SCCBr L11005 [1,1,0,0,0,0|2,0,0]=4 835 B10R1.17 c1ccc(cc1)SCCCl B23265 [1,1,0,0,0,0|2,0,0]=4 836 B10R1.17 c1ccc(cc1)SCCO A10861 [1,1,0,0,0,0|2,0,0]=4 837 B10R1.17 c1ccc(cc1)\C=C\C#N A15301 [1,1,0,0,0,0|1,0,1]=4 838 B10R1.17 c1ccc(cc1)\C=C\C#N B25503 [1,1,0,0,0,0|1,0,1]=4 839 B10R1.17 c1ccc(cc1)\C=C\C=O A14689 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [1,1,0,0,0,0|1,0,0]=3 841 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [1,1,0,0,0,0|1,0,0]=3 842 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [1,1,0,0,0,0|1,0,0]=3 843 B10R1.18 CC(=C)Cc1ccccc1 B20370 [1,1,0,0,0,0|1,0,1]=4 844 B10R1.18 CC(=O)Nc1ccccc1 A14361 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.18 CC(=O)Oc1ccccc1 B22561 [1,1,0,0,0,0|2,0,0]=4 846 B10R1.18 CC(=O)Oc1ccccc1 L19598 [1,1,0,0,0,0|2,0,0]=4 847 B10R1.18 CC(=O)Sc1ccccc1 H55175 [1,1,0,0,0,0|2,0,0]=4 848 B10R1.18 CC(C)Nc1ccccc1 L10646 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.18 CC(C)Sc1ccccc1 A17124 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.18 CN(C)Cc1ccccc1 A12191 [1,1,0,0,0,0|1,0,1]=4 851 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [1,1,0,0,0,0|1,0,1]=4 852 B10R1.11 CCCC(=O)C1=CC=CC1 39404 [0,1,0,0,1,0|1,0,1]=4 853 B10R1.11 CCCC(=O)c1ccco1 H26287 [0,1,0,0,1,0|2,0,0]=4 854 B10R1.11 CCCC(=O)c1cccs1 A15048 [0,1,0,0,1,0|2,0,0]=4 855 B10R1.11 CCOC(=O)c1[nH]ccn1 L19405 [0,1,0,0,1,0|2,0,0]=4 856 B10R1.11 CCOC(=O)c1c[nH]cn1 H64095 [0,1,0,0,1,0|2,0,0]=4 857 B10R1.11 CCOC(=O)c1c[nH]nc1 B25351 [0,1,0,0,1,0|2,0,0]=4 858 B10R1.11 CCOC(=O)c1ccc[nH]1 L16382 [0,1,0,0,1,0|1,0,0]=3 859 B10R1.11 CCOC(=O)c1ccco1 A13909 [0,1,0,0,1,0|1,0,0]=3 860 B10R1.11 CCOC(=O)c1cccs1 A12302 [0,1,0,0,1,0|1,0,0]=3 861 B10R1.11 CCOC(=O)c1ccsc1 B22468 [0,1,0,0,1,0|1,0,0]=3 862 B10R1.11 CCOC(=O)c1cnco1 H32924 [0,1,0,0,1,0|2,0,0]=4 863 B10R1.11 C\C(=N/OC)\c1cccs1 L13550 [0,1,0,0,1,0|2,0,0]=4 864 B10R1.14 COC(=O)c1cc(c[nH]1)Br H33918 [0,1,0,0,1,0|1,0,0]=3 865 B10R1.14 COC(=O)c1cc(c[nH]1)I H33193 [0,1,0,0,1,0|1,0,0]=3 866 B10R1.14 COC(=O)c1ccc(o1)Br B20524 [0,1,0,0,1,0|1,0,0]=3 867 B10R1.14 COC(=O)c1ccc(o1)N L05958 [0,1,0,0,1,0|1,0,0]=3 868 B10R1.14 COC(=O)c1cnc(s1)Br H27410 [0,1,0,0,1,0|2,0,0]=4 869 B10R1.14 COC(=O)c1csc(n1)Br H63541 [0,1,0,0,1,0|2,0,0]=4 870 B10R1.14 Cc1cc(n[nH]1)C(=O)OC H36130 [0,1,0,0,1,0|2,0,0]=4 871 B10R1.14 Cc1cc(no1)C(=O)OC A19814 [0,1,0,0,1,0|2,0,0]=4 872 B10R1.14 Cc1ccc(o1)C(=O)OC H27570 [0,1,0,0,1,0|1,0,0]=3 873 B10R1.14 Cc1cnc(s1)C(=O)OC H63644 [0,1,0,0,1,0|2,0,0]=4 874 B10R1.149 COC(=O)c1c(ccs1)Br H63813 [0,1,0,0,1,0|1,0,0]=3 875 B10R1.149 COC(=O)c1c(ccs1)Cl B20224 [0,1,0,0,1,0|1,0,0]=3 876 B10R1.149 COC(=O)c1c(ccs1)N A12802 [0,1,0,0,1,0|1,0,0]=3 877 B10R1.149 COC(=O)c1c(ccs1)O B22129 [0,1,0,0,1,0|1,0,0]=3 878 B10R1.149 COC(=O)c1ccsc1N H55482 [0,1,0,0,1,0|1,0,0]=3 879 B10R1.149 COC(=O)c1cscc1N 43384 [0,1,0,0,1,0|1,0,0]=3 880 B10R1.149 Cc1c(cco1)C(=O)OC A11979 [0,1,0,0,1,0|1,0,0]=3 881 B10R1.149 Cc1ccoc1C(=O)OC A10541 [0,1,0,0,1,0|1,0,0]=3 882 B10R1.149 Cc1ccsc1C(=O)OC L18093 [0,1,0,0,1,0|1,0,0]=3 883 B10R1.149 Cn1cccc1C(=O)OC A13095 [0,1,0,0,1,0|1,0,0]=3 884 B10R1.149 Cn1cncc1C(=O)OC 44688 [0,1,0,0,1,0|2,0,0]=4 885 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [0,1,0,0,0,1|0,0,0]=2 886 B12R1.32 CCOC(=O)Cc1ccccn1 B23988 [0,1,0,0,0,1|1,0,0]=3 887 B12R1.32 CCOC(=O)Cc1cccnc1 A14768 [0,1,0,0,0,1|1,0,0]=3 888 B12R1.32 CCOC(=O)Cc1ccncc1 A14550 [0,1,0,0,0,1|1,0,0]=3 889 B12R1.32 CCOC(=O)Nc1ccccc1 L05027 [0,1,0,0,0,1|0,0,0]=2 890 B12R1.34 CN(C(=O)c1ccccc1)OC H54253 [0,1,0,0,0,1|2,0,0]=4 891 B12R1.34 COC(=O)C(c1ccccc1)Br L09043 [0,1,0,0,0,1|0,0,0]=2 892 B12R1.34 COC(=O)C(c1ccccc1)O L12706 [0,1,0,0,0,1|0,0,0]=2 893 B12R1.34 COC(=O)[C@@H](c1ccccc1)N L18735 [0,1,0,0,0,1|0,0,0]=2 894 B12R1.34 COC(=O)[C@@H](c1ccccc1)O L14065 [0,1,0,0,0,1|0,0,0]=2 895 B12R1.34 COC(=O)[C@H](c1ccccc1)N H62874 [0,1,0,0,0,1|0,0,0]=2 896 B12R1.34 COC(=O)[C@H](c1ccccc1)O L14070 [0,1,0,0,0,1|0,0,0]=2 897 B12R1.34 c1ccc(cc1)C(C(=O)NN)O L11653 [0,1,0,0,0,1|2,0,0]=4 898 B12R1.43 CC(=C)C(=O)Oc1ccccc1 L11978 [0,1,0,0,0,1|1,0,0]=3 899 B12R1.43 CC(C)C(=O)Cc1ccccc1 L07176 [0,1,0,0,0,1|1,0,0]=3 900 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] A14027 [0,1,0,0,0,1|2,0,0]=4 901 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] H56767 [0,1,0,0,0,1|2,0,0]=4 902 B12R1.49 COC(=O)Cc1ccc(cc1)F H32236 [0,1,0,0,0,1|0,0,0]=2 903 B12R1.49 COC(=O)Cc1ccc(cc1)O B22533 [0,1,0,0,0,1|0,0,0]=2 904 B12R1.49 c1cc(ccc1NC(=O)CCl)F A17669 [0,1,0,0,0,1|2,0,0]=4 905 B12R1.118 COC(Cc1ccccc1)OC A18730 [0,1,0,0,0,1|0,0,2]=4 906 B12R1.194 CO[Si](C)(C)Cc1ccccc1 H28574 [0,1,0,0,0,1|1,1,0]=4 907 B12R1.371 Cc1ccccc1CC(=O)OC L09877 [0,1,0,0,0,1|0,0,0]=2 908 B12R1.9 CO[Si](C)(C)c1ccc(cc1)Cl H27810 [0,2,0,0,0,0|1,1,0]=4 909 B12R1.9 Cc1ccc(cc1)S(=O)(=O)OC A10881 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.9 Cc1ccc(cc1)[Si](C)(C)OC H27943 [0,2,0,0,0,0|1,1,0]=4 911 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br H60436 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.10 COS(=O)(=O)c1cccc(c1)Br H60814 [0,2,0,0,0,0|1,0,0]=3 913 B12R1.39 CCNS(=O)(=O)c1ccccc1 H55463 [0,2,0,0,0,0|2,0,0]=4 914 B12R1.39 c1ccc(cc1)S(=O)(=O)CCCl B21690 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.195 CNS(=O)(=O)c1ccccc1Br H60233 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.195 COS(=O)(=O)c1ccccc1Br H60727 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.475 CC(c1ccccc1)(OC)OC H55696 [0,2,0,0,0,0|0,0,2]=4 918 B12R1.3 CC[C@@H](c1ccccc1)N=C=O L20246 [0,2,0,0,0,0|1,0,1]=4 919 B12R1.3 CC[C@H](c1ccccc1)N=C=O L20355 [0,2,0,0,0,0|1,0,1]=4 920 B12R1.3 CC\C=C(\C=O)/c1ccccc1 A13635 [0,2,0,0,0,0|1,0,0]=3 921 B12R1.12 COC(c1ccc(cc1)Br)OC H55283 [0,2,0,0,0,0|0,0,2]=4 922 B12R1.478 CCC(c1ccccc1)C(=O)Cl B22997 [0,2,0,0,0,0|1,0,1]=4 923 B12R1.478 CCC(c1ccccc1)C(=O)N A18501 [0,2,0,0,0,0|1,0,1]=4 924 B12R1.478 CCC(c1ccccc1)C(=O)O B23222 [0,2,0,0,0,0|1,0,1]=4 925 B12R1.478 CC[C@@H](c1ccccc1)C(=O)O L12754 [0,2,0,0,0,0|1,0,1]=4 926 B12R1.478 CC[C@H](c1ccccc1)C(=O)O L09464 [0,2,0,0,0,0|1,0,1]=4 927 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O L08748 [0,2,0,0,0,0|0,0,1]=3 928 B12R1.478 CO[C@H](c1ccccc1)C(=O)O L08719 [0,2,0,0,0,0|0,0,1]=3 929 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A14531 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.16 CCCC(=O)c1ccc(cc1)F H26034 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.16 CCNC(=O)c1ccc(cc1)Br H58111 [0,2,0,0,0,0|1,0,0]=3 932 B12R1.16 CCNC(=O)c1ccc(cc1)C H57901 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.16 CCNC(=O)c1ccc(cc1)Cl H59072 [0,2,0,0,0,0|1,0,0]=3 934 B12R1.16 CCNC(=O)c1ccc(cc1)F H58065 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.16 CCNC(=O)c1ccc(cn1)Br H54309 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.16 CCOC(=O)c1ccc(cc1)Br A11365 [0,2,0,0,0,0|0,0,0]=2 937 B12R1.16 CCOC(=O)c1ccc(cc1)C A10568 [0,2,0,0,0,0|0,0,0]=2 938 B12R1.16 CCOC(=O)c1ccc(cc1)Cl A12540 [0,2,0,0,0,0|0,0,0]=2 939 B12R1.16 CCOC(=O)c1ccc(cc1)F B21484 [0,2,0,0,0,0|0,0,0]=2 940 B12R1.16 CCOC(=O)c1ccc(cc1)I A14570 [0,2,0,0,0,0|0,0,0]=2 941 B12R1.16 CCOC(=O)c1ccc(cc1)N A12754 [0,2,0,0,0,0|0,0,0]=2 942 B12R1.16 CCOC(=O)c1ccc(cc1)O A13172 [0,2,0,0,0,0|0,0,0]=2 943 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58477 [0,2,0,0,0,0|0,0,0]=2 944 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58484 [0,2,0,0,0,0|0,0,0]=2 945 B12R1.16 CCOC(=O)c1ccc(nc1)Cl A14723 [0,2,0,0,0,0|1,0,0]=3 946 B12R1.16 CCOC(=O)c1cnc(cn1)Cl H66630 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.16 CCOC(=O)c1cnc(cn1)N H66918 [0,2,0,0,0,0|2,0,0]=4 948 B12R1.16 CCOC(=O)c1cnc(nc1)Cl H64914 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.16 CCOC(=O)c1ncc(cn1)Br H61304 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.16 Cc1ccc(cc1)C(=O)CC#N A10950 [0,2,0,0,0,0|1,0,1]=4 951 B12R1.16 c1cc(ccc1C(=O)CC#N)Cl A12364 [0,2,0,0,0,0|1,0,1]=4 952 B12R1.16 c1cc(ccc1C(=O)CC#N)F H61988 [0,2,0,0,0,0|1,0,1]=4 953 B12R1.16 c1cc(ccc1C(=O)CCCl)Br A13988 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl A13311 [0,2,0,0,0,0|1,0,0]=3 955 B12R1.16 c1cc(ccc1C(=O)CCCl)F B21891 [0,2,0,0,0,0|1,0,0]=3 956 B12R1.17 CCNC(=O)c1cccc(c1)C H59871 [0,2,0,0,0,0|1,0,0]=3 957 B12R1.17 CCNC(=O)c1cccc(c1)Cl H58141 [0,2,0,0,0,0|1,0,0]=3 958 B12R1.17 CCOC(=O)c1cc(cnc1)Br B20788 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.17 CCOC(=O)c1cccc(c1)Br A10251 [0,2,0,0,0,0|0,0,0]=2 960 B12R1.17 CCOC(=O)c1cccc(c1)C B23925 [0,2,0,0,0,0|0,0,0]=2 961 B12R1.17 CCOC(=O)c1cccc(c1)Cl L01065 [0,2,0,0,0,0|0,0,0]=2 962 B12R1.17 CCOC(=O)c1cccc(c1)F L07984 [0,2,0,0,0,0|0,0,0]=2 963 B12R1.17 CCOC(=O)c1cccc(c1)I A14210 [0,2,0,0,0,0|0,0,0]=2 964 B12R1.17 CCOC(=O)c1cccc(c1)N A14448 [0,2,0,0,0,0|0,0,0]=2 965 B12R1.17 CCOC(=O)c1cccc(c1)O A15343 [0,2,0,0,0,0|0,0,0]=2 966 B12R1.17 CCOC(=O)c1cccc(c1)[Zn+] H58105 [0,2,0,0,0,0|0,0,0]=2 967 B12R1.17 CCOC(=O)c1cccc(n1)Cl H61701 [0,2,0,0,0,0|1,0,0]=3 968 B12R1.17 CCOC(=O)c1ccnc(c1)C H57239 [0,2,0,0,0,0|1,0,0]=3 969 B12R1.17 CCOC(=O)c1ccnc(c1)N H61280 [0,2,0,0,0,0|1,0,0]=3 970 B12R1.17 Cc1cccc(c1)C(=O)CC#N A11965 [0,2,0,0,0,0|1,0,1]=4 971 B12R1.17 c1cc(cc(c1)Cl)C(=O)CC#N A13913 [0,2,0,0,0,0|1,0,1]=4 972 B12R1.30 C#CCOC(=O)c1ccccc1 H53444 [0,2,0,0,0,0|0,0,0]=2 973 B12R1.30 CCCCC(=O)c1ccccc1 A10525 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.30 c1ccc(cc1)C(=O)CCCCl L06383 [0,2,0,0,0,0|1,0,0]=3 975 B12R1.30 c1ccc(cc1)C(=O)NCCCl L06212 [0,2,0,0,0,0|1,0,0]=3 976 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [0,2,0,0,0,0|1,0,0]=3 977 B12R1.107 C\C(=C/C(=O)c1ccccc1)\[O-] A16051 [0,2,0,0,0,0|1,0,0]=3 978 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N L11313 [0,2,0,0,0,0|1,0,1]=4 979 B12R1.107 c1ccc(cc1)C(=O)NC(=S)N L12377 [0,2,0,0,0,0|1,0,1]=4 980 B12R1.308 CCNC(=O)c1ccccc1Cl H59064 [0,2,0,0,0,0|1,0,0]=3 981 B12R1.308 CCNC(=O)c1ccccc1F H59435 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.308 CCNC(=O)c1cccnc1Cl H57514 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.308 CCOC(=O)c1ccccc1Br A13166 [0,2,0,0,0,0|0,0,0]=2 984 B12R1.308 CCOC(=O)c1ccccc1C L00598 [0,2,0,0,0,0|0,0,0]=2 985 B12R1.308 CCOC(=O)c1ccccc1Cl A10141 [0,2,0,0,0,0|0,0,0]=2 986 B12R1.308 CCOC(=O)c1ccccc1F A16564 [0,2,0,0,0,0|0,0,0]=2 987 B12R1.308 CCOC(=O)c1ccccc1I L07650 [0,2,0,0,0,0|0,0,0]=2 988 B12R1.308 CCOC(=O)c1ccccc1N A14378 [0,2,0,0,0,0|0,0,0]=2 989 B12R1.308 CCOC(=O)c1ccccc1O A10101 [0,2,0,0,0,0|0,0,0]=2 990 B12R1.308 CCOC(=O)c1ccccc1[Zn+] H58721 [0,2,0,0,0,0|0,0,0]=2 991 B12R1.308 CCOC(=O)c1cccnc1Br H52335 [0,2,0,0,0,0|1,0,0]=3 992 B12R1.308 CCOC(=O)c1cccnc1C L03256 [0,2,0,0,0,0|1,0,0]=3 993 B12R1.308 CCOC(=O)c1cccnc1Cl B20359 [0,2,0,0,0,0|1,0,0]=3 994 B12R1.308 CCOC(=O)c1cccnc1N H64957 [0,2,0,0,0,0|1,0,0]=3 995 B12R1.308 CCOC(=O)c1ccncc1N H64188 [0,2,0,0,0,0|1,0,0]=3 996 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Cl A13611 [0,2,0,0,0,0|1,0,1]=4 997 B12R1.5 CCC(=O)c1ccc(cc1)OC A14619 [0,2,0,0,0,0|1,0,0]=3 998 B12R1.5 CNc1ccc(cc1)C(=O)OC A13460 [0,2,0,0,0,0|0,0,0]=2 999 B12R1.5 COC(=O)c1ccc(cc1)C#C H53419 [0,2,0,0,0,0|0,0,0]=2 1000 B12R1.5 COC(=O)c1ccc(cc1)C#N L08365 [0,2,0,0,0,0|0,0,0]=2 1001 B12R1.5 COC(=O)c1ccc(cc1)C=C H60057 [0,2,0,0,0,0|0,0,0]=2 1002 B12R1.5 COC(=O)c1ccc(cc1)C=O B24091 [0,2,0,0,0,0|0,0,0]=2 1003 B12R1.5 COC(=O)c1ccc(cc1)CBr A10557 [0,2,0,0,0,0|0,0,0]=2 1004 B12R1.5 COC(=O)c1ccc(cc1)CCl B22476 [0,2,0,0,0,0|0,0,0]=2 1005 B12R1.5 COC(=O)c1ccc(cc1)CO B22564 [0,2,0,0,0,0|0,0,0]=2 1006 B12R1.5 COC(=O)c1ccc(nc1)CO H64750 [0,2,0,0,0,0|1,0,0]=3 1007 B12R1.5 COc1ccc(cc1)C(=O)C=O L20274 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.5 COc1ccc(cc1)C(=O)CBr A13415 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.5 COc1ccc(cc1)C(=O)CN H66966 [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.5 COc1ccc(cc1)C(=O)NN A13015 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.5 COc1ccc(cc1)C(=O)OC A12598 [0,2,0,0,0,0|0,0,0]=2 1012 B12R1.5 COc1ccc(cn1)C(=O)OC B20808 [0,2,0,0,0,0|1,0,0]=3 1013 B12R1.5 c1cc(ccc1C#N)C(=O)CBr B25382 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.20 CC(C(=O)c1ccc(cc1)F)Br H61338 [0,2,0,0,0,0|1,0,0]=3 1015 B12R1.20 CC(C)C(=O)c1ccc(cc1)F H26036 [0,2,0,0,0,0|1,0,0]=3 1016 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br H58994 [0,2,0,0,0,0|1,0,0]=3 1017 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl H59486 [0,2,0,0,0,0|1,0,0]=3 1018 B12R1.20 CN(C)C(=O)c1ccc(cc1)F H58080 [0,2,0,0,0,0|1,0,0]=3 1019 B12R1.20 CN(C)C(=O)c1ccc(cc1)N H50364 [0,2,0,0,0,0|1,0,0]=3 1020 B12R1.20 CN(C)C(=O)c1ccc(cn1)Br H54686 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.20 Cc1ccc(cc1)C(=O)C(C)Br H64881 [0,2,0,0,0,0|1,0,0]=3 1022 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C H57881 [0,2,0,0,0,0|1,0,0]=3 1023 B12R1.20 c1cc(ccc1C(=O)C(Br)Br)Br H27466 [0,2,0,0,0,0|2,0,0]=4 1024 B12R1.20 c1cc(ccc1C(=O)C(Br)Br)F L19788 [0,2,0,0,0,0|2,0,0]=4 1025 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F B25429 [0,2,0,0,0,0|1,0,0]=3 1026 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl A18740 [0,2,0,0,0,0|1,0,0]=3 1027 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl H31529 [0,2,0,0,0,0|1,0,0]=3 1028 B12R1.367 CCC(=O)c1ccc(c(c1)F)F A17257 [0,2,0,0,0,0|1,0,0]=3 1029 B12R1.367 CCC(=O)c1ccc(c(c1)O)O A13444 [0,2,0,0,0,0|1,0,0]=3 1030 B12R1.367 COC(=O)c1cc(c(nc1)Br)F H64395 [0,2,0,0,0,0|1,0,0]=3 1031 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Br H64754 [0,2,0,0,0,0|1,0,0]=3 1032 B12R1.367 COC(=O)c1cc(c(nc1)N)Br H33991 [0,2,0,0,0,0|1,0,0]=3 1033 B12R1.367 COC(=O)c1cc(c(nc1)O)Br H33548 [0,2,0,0,0,0|1,0,0]=3 1034 B12R1.367 COC(=O)c1ccc(c(c1)Br)N H64303 [0,2,0,0,0,0|0,0,0]=2 1035 B12R1.367 COC(=O)c1ccc(c(c1)Br)O H30222 [0,2,0,0,0,0|0,0,0]=2 1036 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Cl B20027 [0,2,0,0,0,0|0,0,0]=2 1037 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N B22519 [0,2,0,0,0,0|0,0,0]=2 1038 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O A12389 [0,2,0,0,0,0|0,0,0]=2 1039 B12R1.367 COC(=O)c1ccc(c(c1)F)F A19866 [0,2,0,0,0,0|0,0,0]=2 1040 B12R1.367 COC(=O)c1ccc(c(c1)F)O H61219 [0,2,0,0,0,0|0,0,0]=2 1041 B12R1.367 COC(=O)c1ccc(c(c1)I)O H56877 [0,2,0,0,0,0|0,0,0]=2 1042 B12R1.367 COC(=O)c1ccc(c(c1)N)I B25699 [0,2,0,0,0,0|0,0,0]=2 1043 B12R1.367 COC(=O)c1ccc(c(c1)N)N A14656 [0,2,0,0,0,0|0,0,0]=2 1044 B12R1.367 COC(=O)c1ccc(c(c1)N)O H66894 [0,2,0,0,0,0|0,0,0]=2 1045 B12R1.367 COC(=O)c1ccc(c(c1)O)F B25683 [0,2,0,0,0,0|0,0,0]=2 1046 B12R1.367 COC(=O)c1ccc(c(c1)O)I H64354 [0,2,0,0,0,0|0,0,0]=2 1047 B12R1.367 COC(=O)c1ccc(c(c1)O)N L05687 [0,2,0,0,0,0|0,0,0]=2 1048 B12R1.367 COC(=O)c1ccc(c(c1)O)O L09552 [0,2,0,0,0,0|0,0,0]=2 1049 B12R1.367 Cc1cc(ccc1Br)C(=O)OC A19078 [0,2,0,0,0,0|0,0,0]=2 1050 B12R1.367 Cc1cc(ccc1Cl)C(=O)OC L13110 [0,2,0,0,0,0|0,0,0]=2 1051 B12R1.367 Cc1cc(ccc1I)C(=O)OC B25395 [0,2,0,0,0,0|0,0,0]=2 1052 B12R1.367 Cc1cc(ccc1N)C(=O)OC H61117 [0,2,0,0,0,0|0,0,0]=2 1053 B12R1.367 Cc1ccc(cc1Br)C(=O)OC B24372 [0,2,0,0,0,0|0,0,0]=2 1054 B12R1.367 Cc1ccc(cc1C)C(=O)OC B20024 [0,2,0,0,0,0|0,0,0]=2 1055 B12R1.367 Cc1ccc(cc1Cl)C(=O)OC H25933 [0,2,0,0,0,0|0,0,0]=2 1056 B12R1.367 Cc1ccc(cc1I)C(=O)OC H28734 [0,2,0,0,0,0|0,0,0]=2 1057 B12R1.367 Cc1ccc(cc1N)C(=O)OC A15348 [0,2,0,0,0,0|0,0,0]=2 1058 B12R1.367 c1cc(c(cc1C(=O)C=O)F)F L20271 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)Cl A13365 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)F H61852 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.367 c1cc(c(cc1C(=O)CCl)Cl)Cl B25397 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O B23496 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.367 c1cc(c(cc1C(=O)NN)N)N L05263 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.367 c1cc(c(cc1C(=O)NN)N)O A11538 [0,2,0,0,0,0|2,0,0]=4 1065 B12R1.367 c1cc(c(cc1C(=O)NN)O)O B21746 [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl A11252 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.1703 CCC(=O)c1ccc(cc1F)F A12032 [0,2,0,0,0,0|1,0,0]=3 1068 B12R1.1703 CCC(=O)c1ccc(cc1O)O B23414 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl B20583 [0,2,0,0,0,0|0,0,0]=2 1070 B12R1.1703 COC(=O)c1ccc(cc1Cl)F A18342 [0,2,0,0,0,0|0,0,0]=2 1071 B12R1.1703 COC(=O)c1ccc(cc1F)F H32161 [0,2,0,0,0,0|0,0,0]=2 1072 B12R1.1703 COC(=O)c1ccc(cc1F)O H61675 [0,2,0,0,0,0|0,0,0]=2 1073 B12R1.1703 COC(=O)c1ccc(cc1N)Cl L11125 [0,2,0,0,0,0|0,0,0]=2 1074 B12R1.1703 COC(=O)c1ccc(cc1N)F H61749 [0,2,0,0,0,0|0,0,0]=2 1075 B12R1.1703 COC(=O)c1ccc(cc1O)F L17846 [0,2,0,0,0,0|0,0,0]=2 1076 B12R1.1703 COC(=O)c1ccc(cc1O)I B25438 [0,2,0,0,0,0|0,0,0]=2 1077 B12R1.1703 COC(=O)c1ccc(cc1O)N 45520 [0,2,0,0,0,0|0,0,0]=2 1078 B12R1.1703 COC(=O)c1ccc(cc1O)O B24757 [0,2,0,0,0,0|0,0,0]=2 1079 B12R1.1703 COC(=O)c1ccc(nc1Cl)Cl H51092 [0,2,0,0,0,0|1,0,0]=3 1080 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl H64077 [0,2,0,0,0,0|1,0,0]=3 1081 B12R1.1703 Cc1cc(ccc1C(=O)OC)F H63268 [0,2,0,0,0,0|0,0,0]=2 1082 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br H64151 [0,2,0,0,0,0|1,0,0]=3 1083 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC H63144 [0,2,0,0,0,0|0,0,0]=2 1084 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC H64793 [0,2,0,0,0,0|0,0,0]=2 1085 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr H59615 [0,2,0,0,0,0|2,0,0]=4 1086 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl A10835 [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN A12803 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O L20266 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr H56442 [0,2,0,0,0,0|2,0,0]=4 1090 B12R1.1703 c1cc(c(cc1F)F)C(=O)CCl B22487 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN L09918 [0,2,0,0,0,0|2,0,0]=4 1092 B12R1.24 CCC(=O)c1cccc(c1F)F B20032 [0,2,0,0,0,0|1,0,0]=3 1093 B12R1.24 COC(=O)c1cccc(c1F)Br H36865 [0,2,0,0,0,0|0,0,0]=2 1094 B12R1.24 COC(=O)c1cccc(c1O)N H33035 [0,2,0,0,0,0|0,0,0]=2 1095 B12R1.24 Cc1c(cccc1N)C(=O)OC H55579 [0,2,0,0,0,0|0,0,0]=2 1096 B12R1.24 Cc1cccc(c1Br)C(=O)OC H61831 [0,2,0,0,0,0|0,0,0]=2 1097 B12R1.24 Cc1cccc(c1N)C(=O)OC H61448 [0,2,0,0,0,0|0,0,0]=2 1098 B12R1.24 Cc1cccc(c1O)C(=O)NN L08980 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.24 Cc1cccc(c1O)C(=O)OC B21341 [0,2,0,0,0,0|0,0,0]=2 1100 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Br H64999 [0,2,0,0,0,0|1,0,0]=3 1101 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl H58964 [0,2,0,0,0,0|1,0,0]=3 1102 B12R1.225 Cc1cccc(c1)C(=O)N(C)C H59393 [0,2,0,0,0,0|1,0,0]=3 1103 B12R1.354 CCC(=O)c1cc(ccc1F)F B20801 [0,2,0,0,0,0|1,0,0]=3 1104 B12R1.354 CCC(=O)c1cc(ccc1O)O A12912 [0,2,0,0,0,0|1,0,0]=3 1105 B12R1.354 CNC(=O)c1cc(ccc1F)F H61923 [0,2,0,0,0,0|1,0,0]=3 1106 B12R1.354 COC(=O)c1c(ncc(n1)Br)Br H63319 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.354 COC(=O)c1c(ncc(n1)Br)N H63537 [0,2,0,0,0,0|2,0,0]=4 1108 B12R1.354 COC(=O)c1c(ncc(n1)Cl)N H63250 [0,2,0,0,0,0|2,0,0]=4 1109 B12R1.354 COC(=O)c1c(ncc(n1)I)N H63026 [0,2,0,0,0,0|2,0,0]=4 1110 B12R1.354 COC(=O)c1cc(ccc1Br)Br A18982 [0,2,0,0,0,0|0,0,0]=2 1111 B12R1.354 COC(=O)c1cc(ccc1Br)Cl B25309 [0,2,0,0,0,0|0,0,0]=2 1112 B12R1.354 COC(=O)c1cc(ccc1Cl)Cl B22489 [0,2,0,0,0,0|0,0,0]=2 1113 B12R1.354 COC(=O)c1cc(ccc1N)Br A16666 [0,2,0,0,0,0|0,0,0]=2 1114 B12R1.354 COC(=O)c1cc(ccc1N)Cl L20187 [0,2,0,0,0,0|0,0,0]=2 1115 B12R1.354 COC(=O)c1cc(ccc1N)F L19778 [0,2,0,0,0,0|0,0,0]=2 1116 B12R1.354 COC(=O)c1cc(ccc1O)Br H64372 [0,2,0,0,0,0|0,0,0]=2 1117 B12R1.354 COC(=O)c1cc(ccc1O)Cl A19971 [0,2,0,0,0,0|0,0,0]=2 1118 B12R1.354 COC(=O)c1cc(ccc1O)I B22048 [0,2,0,0,0,0|0,0,0]=2 1119 B12R1.354 COC(=O)c1cc(ccc1O)O A10407 [0,2,0,0,0,0|0,0,0]=2 1120 B12R1.354 COC(=O)c1cc(ccc1[Zn+])Cl H58696 [0,2,0,0,0,0|0,0,0]=2 1121 B12R1.354 COC(=O)c1cc(cnc1Cl)Br H64791 [0,2,0,0,0,0|1,0,0]=3 1122 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I H33853 [0,2,0,0,0,0|0,0,0]=2 1123 B12R1.354 Cc1ccc(cc1C(=O)OC)Br H61861 [0,2,0,0,0,0|0,0,0]=2 1124 B12R1.354 Cc1ccc(cc1C(=O)OC)N H61671 [0,2,0,0,0,0|0,0,0]=2 1125 B12R1.354 c1cc(c(cc1Cl)C(=O)NN)Cl A14778 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.358 CCC(=O)c1cc(cc(c1)F)F B20150 [0,2,0,0,0,0|1,0,0]=3 1127 B12R1.358 CNC(=O)c1cc(cc(c1)F)F H61378 [0,2,0,0,0,0|1,0,0]=3 1128 B12R1.358 COC(=O)c1cc(=O)[nH]c(=O)[nH]1 H64351 [0,2,0,0,0,0|2,0,0]=4 1129 B12R1.358 COC(=O)c1cc(cc(c1)Br)Br B20668 [0,2,0,0,0,0|0,0,0]=2 1130 B12R1.358 COC(=O)c1cc(cc(c1)Br)F H32262 [0,2,0,0,0,0|0,0,0]=2 1131 B12R1.358 COC(=O)c1cc(cc(c1)Br)O H51724 [0,2,0,0,0,0|0,0,0]=2 1132 B12R1.358 COC(=O)c1cc(cc(c1)Cl)Cl B25311 [0,2,0,0,0,0|0,0,0]=2 1133 B12R1.358 COC(=O)c1cc(cc(c1)F)F L17171 [0,2,0,0,0,0|0,0,0]=2 1134 B12R1.358 COC(=O)c1cc(cc(c1)F)N H63038 [0,2,0,0,0,0|0,0,0]=2 1135 B12R1.358 COC(=O)c1cc(cc(c1)I)Cl B25444 [0,2,0,0,0,0|0,0,0]=2 1136 B12R1.358 COC(=O)c1cc(cc(c1)N)N L10848 [0,2,0,0,0,0|0,0,0]=2 1137 B12R1.358 COC(=O)c1cc(cc(c1)O)O A15224 [0,2,0,0,0,0|0,0,0]=2 1138 B12R1.358 COC(=O)c1cc(nc(c1)Cl)Cl A17468 [0,2,0,0,0,0|1,0,0]=3 1139 B12R1.358 Cc1cc(cc(c1)C(=O)OC)C A12287 [0,2,0,0,0,0|0,0,0]=2 1140 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC H56006 [0,2,0,0,0,0|1,0,0]=3 1141 B12R1.358 c1c(cc(cc1Cl)Cl)C(=O)NN B22383 [0,2,0,0,0,0|2,0,0]=4 1142 B12R1.358 c1c(cc(cc1O)O)C(=O)NN L11471 [0,2,0,0,0,0|2,0,0]=4 1143 B12R1.435 COC(=O)c1cc(ccn1)CO H32731 [0,2,0,0,0,0|1,0,0]=3 1144 B12R1.435 COC(=O)c1cccc(c1)CBr A11826 [0,2,0,0,0,0|0,0,0]=2 1145 B12R1.435 COC(=O)c1cccc(n1)CO H63793 [0,2,0,0,0,0|1,0,0]=3 1146 B12R1.435 COC(=O)c1ccnc(c1)C#N H63090 [0,2,0,0,0,0|1,0,0]=3 1147 B12R1.435 COc1cccc(c1)C(=O)C=O L20263 [0,2,0,0,0,0|2,0,0]=4 1148 B12R1.435 COc1cccc(c1)C(=O)CBr A10716 [0,2,0,0,0,0|2,0,0]=4 1149 B12R1.435 COc1cccc(c1)C(=O)NN B20956 [0,2,0,0,0,0|2,0,0]=4 1150 B12R1.435 COc1cccc(c1)C(=O)OC L09041 [0,2,0,0,0,0|0,0,0]=2 1151 B12R1.435 COc1ccnc(c1)C(=O)OC H64519 [0,2,0,0,0,0|1,0,0]=3 1152 B12R1.124 CN(C)C(=O)c1ccccc1Cl H59948 [0,2,0,0,0,0|1,0,0]=3 1153 B12R1.124 CN(C)C(=O)c1ccccc1F H59416 [0,2,0,0,0,0|1,0,0]=3 1154 B12R1.124 CN(C)C(=O)c1cccnc1Cl H57162 [0,2,0,0,0,0|2,0,0]=4 1155 B12R1.564 CC(C)(C)C(=O)c1ccccc1 L08729 [0,2,0,0,0,0|1,0,0]=3 1156 B12R1.564 c1ccc(cc1)C(=O)C(F)(F)Cl L16963 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.564 c1ccc(cc1)C(=O)C(F)(F)F A11403 [0,2,0,0,0,0|2,0,0]=4 1158 B12R1.77 CNC(=O)c1ccccc1OC H56836 [0,2,0,0,0,0|1,0,0]=3 1159 B12R1.77 CNc1ccccc1C(=O)OC B20233 [0,2,0,0,0,0|0,0,0]=2 1160 B12R1.77 COC(=O)c1ccccc1SC A10905 [0,2,0,0,0,0|0,0,0]=2 1161 B12R1.77 COc1ccccc1C(=O)CBr L07696 [0,2,0,0,0,0|2,0,0]=4 1162 B12R1.77 COc1ccccc1C(=O)NN A13619 [0,2,0,0,0,0|2,0,0]=4 1163 B12R1.77 COc1ccccc1C(=O)OC A17703 [0,2,0,0,0,0|0,0,0]=2 1164 B12R1.3441 CCC(=O)c1c(cccc1F)F B20097 [0,2,0,0,0,0|1,0,0]=3 1165 B12R1.3441 COC(=O)c1c(cccc1F)F L08063 [0,2,0,0,0,0|0,0,0]=2 1166 B12R1.3441 COC(=O)c1c(ccnc1Cl)I H57319 [0,2,0,0,0,0|1,0,0]=3 1167 B10R1.20 COc1c(cccn1)C=O H50087 [0,0,1,1,0,0|2,0,0]=4 1168 B10R1.20 COc1ccccc1C=O A10770 [0,0,1,1,0,0|2,0,0]=4 1169 B10R1.27 COC(=O)Cc1cccs1 A12110 [0,0,1,1,0,0|1,0,1]=4 1170 B10R1.27 COC(=O)Cc1ccsc1 A12496 [0,0,1,1,0,0|1,0,1]=4 1171 B10R1.172 COc1cccc(c1)C=O A13962 [0,0,1,1,0,0|2,0,0]=4 1172 B10R1.172 COc1cccc(n1)C=O H34432 [0,0,1,1,0,0|2,0,0]=4 1173 B10R2.6 c1ccc(cc1)C2CO2 L07821 [1,0,0,1,0,0|0,0,2]=4 1174 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [1,0,0,1,0,0|0,0,2]=4 1175 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,1,0,0|1,0,0]=3 1176 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,1,0,0|1,0,0]=3 1177 B10R2.7 c1ccc2c(c1)CCC2 B21442 [1,0,0,1,0,0|1,0,1]=4 1178 B10R2.7 c1ccc2c(c1)CCN2 A11000 [1,0,0,1,0,0|2,0,0]=4 1179 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,1,0,0|2,0,0]=4 1180 B10R2.7 c1ccc2c(c1)CNC2 H63012 [1,0,0,1,0,0|1,0,1]=4 1181 B10R2.7 c1ccc2c(c1)COC2 45592 [1,0,0,1,0,0|0,0,1]=3 1182 B10R2.7 c1ccc2c(c1)COC2 A10217 [1,0,0,1,0,0|0,0,1]=3 1183 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,1,0,0|2,0,0]=4 1184 B10R2.7 c1ccc2c(c1)cco2 A15225 [1,0,0,1,0,0|2,0,0]=4 1185 B10R2.7 c1ccc2c(c1)ccs2 A12328 [1,0,0,1,0,0|2,0,0]=4 1186 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,1,0,0|2,0,0]=4 1187 B10R2.7 c1ccc2c(c1)cno2 B23400 [1,0,0,1,0,0|2,0,0]=4 1188 B10R2.7 c1ccc2c(c1)non2 L11229 [1,0,0,1,0,0|2,0,0]=4 1189 B12R2.18 CC1c2ccccc2NC1=O H27662 [0,0,0,1,0,1|1,0,0]=3 1190 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [0,0,0,1,0,1|2,0,0]=4 1191 B12R2.18 Cn1c2ccccc2nc1Br H60075 [0,0,0,1,0,1|2,0,0]=4 1192 B12R2.18 Cn1c2ccccc2nc1Cl H63559 [0,0,0,1,0,1|2,0,0]=4 1193 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [0,0,0,1,0,1|2,0,0]=4 1194 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,0,0,1,0,1|1,0,0]=3 1195 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,0,0,1,0,1|1,0,0]=3 1196 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [0,0,0,1,0,1|1,0,0]=3 1197 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [0,0,0,1,0,1|1,0,0]=3 1198 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [0,0,0,1,0,1|2,0,0]=4 1199 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [0,0,0,1,0,1|2,0,0]=4 1200 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [0,0,0,1,0,1|1,0,1]=4 1201 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [0,0,0,1,0,1|2,0,0]=4 1202 B12R2.32 CSc1[nH]c2ccccc2n1 A10686 [0,0,0,1,0,1|1,1,0]=4 1203 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O A15330 [0,1,0,1,0,0|2,0,0]=4 1204 B12R2.2 c1ccc(cc1)C2=NCCN2 H59095 [0,1,0,1,0,0|2,0,0]=4 1205 B12R2.1081 B1(c2ccccc2CCO1)O H52672 [0,1,0,1,0,0|1,0,1]=4 1206 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 A11242 [0,1,0,1,0,0|1,0,0]=3 1207 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [0,1,0,1,0,0|1,0,0]=3 1208 B12R2.1081 c1ccc2c(c1)COCC2=O H61539 [0,1,0,1,0,0|0,0,0]=2 1209 B12R2.1081 c1ccc2c(c1)CSCC2=O L07948 [0,1,0,1,0,0|0,1,0]=3 1210 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 A19798 [0,1,0,1,0,0|2,0,0]=4 1211 B12R2.2028 Cn1c2ccccc2c(n1)N H34285 [0,1,0,1,0,0|2,0,0]=4 1212 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O B25118 [0,1,0,1,0,0|1,0,1]=4 1213 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O A12206 [0,1,0,1,0,0|1,0,1]=4 1214 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O A12584 [0,1,0,1,0,0|1,0,1]=4 1215 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O 41771 [0,1,0,1,0,0|0,0,1]=3 1216 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O A14955 [0,1,0,1,0,0|0,0,1]=3 1217 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O A11134 [0,1,0,1,0,0|1,0,1]=4 1218 B12R2.2028 c1cncc2c1C(=O)OC2=O A10771 [0,1,0,1,0,0|1,0,1]=4 1219 B12R2.2075 c1ccc(cc1)C(=O)C2CC2 L02218 [0,1,0,1,0,0|1,0,0]=3 1220 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,1,0,1,0,0|1,0,0]=3 1221 B12R2.612 c1cc2c(cc1Br)CCC2=O B25707 [0,1,0,1,0,0|1,0,0]=3 1222 B12R2.612 c1cc2c(cc1Br)CNC2=O H52358 [0,1,0,1,0,0|1,0,0]=3 1223 B12R2.612 c1cc2c(cc1Br)COC2=O H33891 [0,1,0,1,0,0|0,0,0]=2 1224 B12R2.612 c1cc2c(cc1Cl)CCC2=O A18308 [0,1,0,1,0,0|1,0,0]=3 1225 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [0,1,0,1,0,0|1,0,0]=3 1226 B12R2.612 c1cc2c(cc1N)CCC2=O H66425 [0,1,0,1,0,0|1,0,0]=3 1227 B12R2.612 c1cc2c(cc1N)COC2=O H66457 [0,1,0,1,0,0|0,0,0]=2 1228 B12R2.612 c1cc2c(cc1O)OCC2=O L10951 [0,1,0,1,0,0|2,0,0]=4 1229 B12R2.132 B1(c2cc(ccc2CO1)N)O H52629 [0,1,0,1,0,0|1,0,1]=4 1230 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 L17559 [0,1,0,1,0,0|1,0,0]=3 1231 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 H54003 [0,1,0,1,0,0|1,0,0]=3 1232 B12R2.132 c1cc2c(cc1F)C(=O)CC2 L17095 [0,1,0,1,0,0|1,0,0]=3 1233 B12R2.132 c1cc2c(cc1N)C(=O)OC2 A18896 [0,1,0,1,0,0|0,0,0]=2 1234 B12R2.196 c1cc2c(c(c1)Br)CCC2=O H56937 [0,1,0,1,0,0|1,0,0]=3 1235 B12R2.196 c1cc2c(c(c1)F)CCC2=O H59356 [0,1,0,1,0,0|1,0,0]=3 1236 B12R2.196 c1cc2c(c(c1)O)CCC2=O H56184 [0,1,0,1,0,0|1,0,0]=3 1237 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 H66850 [0,1,0,1,0,0|1,0,0]=3 1238 B8R1.7 CC(=C1C=CC=C1)C B21826 [1,0,0,0,1,0|1,0,0]=3 1239 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [1,0,0,0,1,0|1,0,0]=3 1240 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [1,0,0,0,1,0|1,0,0]=3 1241 B8R1.7 CC(=O)c1ccco1 A14938 [1,0,0,0,1,0|1,0,0]=3 1242 B8R1.7 CC(=O)c1cccs1 A13062 [1,0,0,0,1,0|1,0,0]=3 1243 B8R1.7 CC(=O)c1ccoc1 H34071 [1,0,0,0,1,0|1,0,0]=3 1244 B8R1.7 CC(=O)c1ccsc1 A11078 [1,0,0,0,1,0|1,0,0]=3 1245 B8R1.7 CC(=O)c1nccs1 A11266 [1,0,0,0,1,0|2,0,0]=4 1246 B8R1.7 CC(=O)n1ccnc1 L00137 [1,0,0,0,1,0|2,0,0]=4 1247 B8R1.7 c1c(cn[nH]1)C(=O)O H25783 [1,0,0,0,1,0|2,0,0]=4 1248 B8R1.7 c1c(nc[nH]1)C(=O)O H56862 [1,0,0,0,1,0|2,0,0]=4 1249 B8R1.7 c1c(ocn1)C(=O)O H30179 [1,0,0,0,1,0|2,0,0]=4 1250 B8R1.7 c1c[nH]cc1C(=O)O H55383 [1,0,0,0,1,0|1,0,0]=3 1251 B8R1.7 c1c[nH]nc1C(=O)O B25732 [1,0,0,0,1,0|2,0,0]=4 1252 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [1,0,0,0,1,0|1,0,0]=3 1253 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [1,0,0,0,1,0|2,0,0]=4 1254 B8R1.7 c1cc(oc1)C(=O)N B25075 [1,0,0,0,1,0|2,0,0]=4 1255 B8R1.7 c1cc(oc1)C(=O)O A11454 [1,0,0,0,1,0|1,0,0]=3 1256 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [1,0,0,0,1,0|2,0,0]=4 1257 B8R1.7 c1cc(sc1)C(=O)N A15219 [1,0,0,0,1,0|2,0,0]=4 1258 B8R1.7 c1cc(sc1)C(=O)O A12514 [1,0,0,0,1,0|1,0,0]=3 1259 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [1,0,0,0,1,0|1,0,1]=4 1260 B8R1.7 c1cnoc1C(=O)O A13739 [1,0,0,0,1,0|2,0,0]=4 1261 B8R1.7 c1cocc1C(=O)O L11629 [1,0,0,0,1,0|1,0,0]=3 1262 B8R1.7 c1conc1C(=O)O H58438 [1,0,0,0,1,0|2,0,0]=4 1263 B8R1.7 c1csc(n1)C(=O)O H63620 [1,0,0,0,1,0|2,0,0]=4 1264 B8R1.7 c1cscc1C(=O)Cl H61428 [1,0,0,0,1,0|2,0,0]=4 1265 B8R1.7 c1cscc1C(=O)O A15712 [1,0,0,0,1,0|1,0,0]=3 1266 B12R1.27 C=CC(=O)NCc1ccccc1 L11450 [0,0,0,0,0,2|1,0,1]=4 1267 B12R1.27 C=CC(=O)OCc1ccccc1 43204 [0,0,0,0,0,2|1,0,1]=4 1268 B12R1.27 CCC(=O)OCc1ccccc1 B23186 [0,0,0,0,0,2|1,0,0]=3 1269 B12R1.27 COC(=O)C#Cc1ccccc1 B24587 [0,0,0,0,0,2|0,0,0]=2 1270 B12R1.27 COC(=O)CCc1ccccc1 L05310 [0,0,0,0,0,2|0,0,0]=2 1271 B12R1.27 COC(=O)CCc1cccnc1 L14590 [0,0,0,0,0,2|1,0,0]=3 1272 B12R1.27 COC(=O)CSc1ccccc1 L12649 [0,0,0,0,0,2|0,0,0]=2 1273 B12R1.27 COC(=O)\C=C\c1ccccc1 A15975 [0,0,0,0,0,2|0,0,0]=2 1274 B12R1.27 c1ccc(cc1)COC(=O)CBr A17630 [0,0,0,0,0,2|2,0,0]=4 1275 B12R1.27 c1ccc(cc1)COC(=O)CN H50247 [0,0,0,0,0,2|2,0,0]=4 1276 B12R1.27 c1ccc(cc1)COC(=O)CN H56016 [0,0,0,0,0,2|2,0,0]=4 1277 B12R1.27 c1ccc(cc1)COC(=O)NN A13005 [0,0,0,0,0,2|2,0,0]=4 1278 B12R1.27 c1ccc(cc1)COC(=O)NO L13175 [0,0,0,0,0,2|2,0,0]=4