0 B10R1.15 C#CC(c1ccccc1)O L09549 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 CC(C#N)c1ccccc1 A13636 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.15 CC(C=O)c1ccccc1 B22436 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.15 CC(CBr)c1ccccc1 L16267 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.15 CC(CN)c1ccccc1 H36338 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.15 CC(CO)c1ccccc1 B23473 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.15 CCC(=O)c1ccccc1 A15140 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 CCC(=O)c1cccnc1 L09711 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 CCC(=O)c1ccncc1 L11552 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 CCC(C)c1ccccc1 B22962 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 CCC(c1ccccc1)O A10830 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.15 CC[C@H](c1ccccc1)N L16319 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.15 CC[C@H](c1ccccc1)O L05681 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 CN(C=O)c1ccccc1 A11829 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.15 CNC(=O)c1ccccc1 A18057 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.15 COC(=O)c1ccccc1 44368 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.15 COC(=O)c1ccccc1 A12404 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.15 C\C(=N/O)\c1ccccn1 H52232 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.15 C\C(=N/O)\c1cccnc1 H52154 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.15 C\C(=N/O)\c1ccncc1 H52207 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.15 c1cc(cnc1)C(=O)NN L02059 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [0,0,0,0,0,0|2,0,2]=4 27 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [0,0,0,0,0,0|1,0,1]=2 30 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [0,0,0,0,0,0|1,0,2]=3 34 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.15 c1ccc(cc1)C(CN)O H63932 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.15 c1ccc(cc1)C(CO)O L04551 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.15 c1ccc(cc1)N(N=O)[O-] A16551 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [0,0,0,0,0,0|1,0,2]=3 40 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [0,0,0,0,0,0|1,0,0]=1 41 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [0,0,0,0,0,0|2,0,0]=2 42 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [0,0,0,0,0,0|1,0,2]=3 44 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [0,0,0,0,0,0|1,0,0]=1 45 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [0,0,0,0,0,0|2,0,0]=2 46 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.15 c1cnccc1C(=O)CBr H32285 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.15 c1cnccc1C(=O)NN A10583 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.6 B(c1ccccc1)(Cl)Cl 32583 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.6 B(c1ccccc1)(O)O A14257 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.6 B(c1ccccc1)(O)O L19459 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.6 CC(=C)c1ccccc1 L03609 [1,0,0,0,0,0|0,0,2]=3 54 B9R1.6 CC(=O)c1ccccc1 A12727 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.6 CC(=O)c1ccccn1 A12688 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.6 CC(=O)c1cccnc1 A14246 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.6 CC(=O)c1ccncc1 A12015 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.6 CC(C)c1ccccc1 A11864 [1,0,0,0,0,0|0,0,0]=1 59 B9R1.6 CC(C)c1cnccn1 A13891 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.6 CC(c1ccccc1)Br A16839 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.6 CC(c1ccccc1)N A15711 [1,0,0,0,0,0|0,0,0]=1 62 B9R1.6 CC(c1ccccc1)O A13837 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.6 CC(c1ccccc1)S H26345 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.6 CC(c1ccccn1)N H26046 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.6 CC(c1cccnc1)N H26047 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.6 CC(c1ccncc1)N H50303 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.6 CC(c1ccncc1)O H58711 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.6 CN(C)c1ccccc1 A11916 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.6 CN(C)c1ccccn1 L02513 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.6 CN(C)c1ccncc1 A13016 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.6 CN(C)c1ccncc1 H51715 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.6 CN(c1ccccc1)N B22440 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.6 CP(C)c1ccccc1 A17975 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.6 CS(=O)c1ccccc1 A15009 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.6 C[C@@H](c1ccccc1)N A12632 [1,0,0,0,0,0|0,0,0]=1 78 B9R1.6 C[C@@H](c1ccccc1)N L19118 [1,0,0,0,0,0|0,0,0]=1 79 B9R1.6 C[C@@H](c1ccccc1)O B21188 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.6 C[C@H](c1ccccc1)N A10967 [1,0,0,0,0,0|0,0,0]=1 81 B9R1.6 C[C@H](c1ccccc1)N L19117 [1,0,0,0,0,0|0,0,0]=1 82 B9R1.6 C[C@H](c1ccccc1)O L19296 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.6 C[C@H](c1ccncc1)O H51033 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.6 C[SiH](C)c1ccccc1 L04558 [1,0,0,0,0,0|0,1,0]=2 85 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.6 c1cc(cnc1)C(=N)N B20406 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.6 c1cc(cnc1)C(=O)N A15970 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.6 c1cc(cnc1)C(=S)N A11144 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.6 c1cc(cnc1)C(F)F H33189 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.6 c1ccc(cc1)C(=N)N A16002 [1,0,0,0,0,0|1,0,1]=3 91 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.6 c1ccc(cc1)C(=O)F L11464 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.6 c1ccc(cc1)C(=O)N A10501 [1,0,0,0,0,0|1,0,1]=3 95 B9R1.6 c1ccc(cc1)C(=O)O 36230 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.6 c1ccc(cc1)C(=O)O A14062 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.6 c1ccc(cc1)C(=O)O H25864 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.6 c1ccc(cc1)C(=O)O L19473 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.6 c1ccc(cc1)C(=S)N A12973 [1,0,0,0,0,0|1,0,1]=3 107 B9R1.6 c1ccc(cc1)C(=S)O B24458 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.6 c1ccc(cc1)P(=O)O A17453 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [1,0,0,0,0,0|2,1,0]=4 116 B9R1.6 c1ccnc(c1)C(=N)N A10942 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.6 c1ccnc(c1)C(=O)N A15410 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.6 c1ccnc(c1)C(=S)N H51710 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.6 c1ccnc(c1)C(F)F H33258 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.6 c1cnccc1C(=N)N A11050 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.6 c1cnccc1C(=O)N A18190 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.6 c1cnccc1C(=S)N B25265 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.6 c1cnccc1C(F)F H34075 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.8 C#CCc1ccccc1 H53500 [1,0,0,0,0,0|1,0,1]=3 125 B9R1.8 C=CCc1ccccc1 A12965 [1,0,0,0,0,0|1,0,1]=3 126 B9R1.8 CC#Cc1ccccc1 A14272 [1,0,0,0,0,0|1,0,2]=4 127 B9R1.8 CCCc1ccccc1 B21468 [1,0,0,0,0,0|1,0,0]=2 128 B9R1.8 CCNc1ccccc1 A15060 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.8 CCOc1ccccc1 A15501 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.8 CCOc1ccccn1 L05649 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.8 CCSc1ccccc1 A13987 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.8 CNCc1ccccc1 A13746 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.8 CNCc1cccnc1 H50262 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.8 COCc1ccccc1 B23490 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.8 C\N=C\c1ccccc1 B25161 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.8 c1cc(cnc1)CC#N B24964 [1,0,0,0,0,0|1,0,2]=4 137 B9R1.8 c1cc(cnc1)CCN L16311 [1,0,0,0,0,0|1,0,0]=2 138 B9R1.8 c1cc[n+](cc1)CC#N A14327 [1,0,0,0,0,0|1,0,2]=4 139 B9R1.8 c1ccc(cc1)CC#N A10694 [1,0,0,0,0,0|0,0,2]=3 140 B9R1.8 c1ccc(cc1)CC=O A14263 [1,0,0,0,0,0|1,0,1]=3 141 B9R1.8 c1ccc(cc1)CCBr A12528 [1,0,0,0,0,0|1,0,0]=2 142 B9R1.8 c1ccc(cc1)CCCl L04891 [1,0,0,0,0,0|1,0,0]=2 143 B9R1.8 c1ccc(cc1)CCN A13402 [1,0,0,0,0,0|0,0,0]=1 144 B9R1.8 c1ccc(cc1)CCO A15241 [1,0,0,0,0,0|1,0,0]=2 145 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [1,0,0,0,0,0|1,0,0]=2 146 B9R1.8 c1ccc(cc1)CNN H54916 [1,0,0,0,0,0|1,0,0]=2 147 B9R1.8 c1ccc(cc1)CON A17393 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.8 c1ccc(cc1)CON L13601 [1,0,0,0,0,0|1,0,0]=2 149 B9R1.8 c1ccc(cc1)N=C=O A12808 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.8 c1ccc(cc1)N=C=S A11596 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.8 c1ccc(cc1)N=S=O H59451 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.8 c1ccc(cc1)NC=O A12472 [1,0,0,0,0,0|2,0,1]=4 153 B9R1.8 c1ccc(cc1)OC=O L00289 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.8 c1ccc(cc1)[Se]C#N L20194 [1,0,0,0,0,0|1,0,2]=4 155 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [1,0,0,0,0,0|1,0,2]=4 156 B9R1.8 c1ccc(cc1)\C=N\O A12053 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.8 c1ccnc(c1)CC#N A13087 [1,0,0,0,0,0|1,0,2]=4 158 B9R1.8 c1ccnc(c1)CCN L05627 [1,0,0,0,0,0|1,0,0]=2 159 B9R1.8 c1ccnc(c1)CCO B23579 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.8 c1cnc(cn1)CCS A13045 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.8 c1cnccc1CC#N B25095 [1,0,0,0,0,0|1,0,2]=4 162 B9R1.8 c1cnccc1CC#N H64588 [1,0,0,0,0,0|1,0,2]=4 163 B9R1.8 c1cnccc1CCN H27545 [1,0,0,0,0,0|1,0,0]=2 164 B9R1.8 c1cnccc1CCO L13780 [1,0,0,0,0,0|2,0,0]=3 165 B11R1.7 CC(C#C)(c1ccccc1)O B25515 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.7 CCC(C)(C)c1ccccc1 L03731 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.7 CCS(=O)(=O)c1ccccc1 A10710 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.7 COP(=O)(C)c1ccccc1 A18760 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.7 CO[Si](C)(C)c1ccccc1 H27165 [0,1,0,0,0,0|2,1,0]=4 170 B11R1.7 c1ccc(cc1)S(=O)(=O)NN B23971 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.7 c1ccc(cc1)S(=O)(=O)NN L19466 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.12 B(CC)(CC)c1cccnc1 H64225 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.12 CCC(C#N)c1ccccc1 A17093 [0,1,0,0,0,0|0,0,2]=3 174 B11R1.12 CCN(CC)c1ccccc1 A10560 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.12 CCP(CC)c1ccccc1 10180 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.12 COC(c1ccccc1)OC A11009 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.12 COP(c1ccccc1)OC A14006 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.12 CO[C@@H](CO)c1ccccc1 L14044 [0,1,0,0,0,0|1,0,0]=2 179 B11R1.12 C\C=C(\C=O)/c1ccccc1 A14185 [0,1,0,0,0,0|1,0,2]=4 180 B11R1.12 c1ccc(cc1)C(CO)CO H56761 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.12 c1ccc(cc1)P(CO)CO H27733 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.16 C=CCC(c1ccccc1)O H53466 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.16 CC(c1ccccc1)N=C=S B20011 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.16 CCCC(=O)c1ccccc1 A11345 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.16 CCCC(C)c1ccccc1 B20114 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.16 CCC[C@@H](c1ccccc1)N H27048 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.16 CCC[C@H](c1ccccc1)N H27156 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.16 CCOC(=N)c1ccccc1 L17684 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.16 CCOC(=O)c1ccccc1 44283 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.16 CCOC(=O)c1ccccc1 A13057 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.16 CN(CCO)c1ccccn1 B25555 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.16 CNCC(c1ccccc1)O L08111 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.16 C[C@@H](c1ccccc1)N=C=O L11141 [0,1,0,0,0,0|1,0,1]=3 194 B11R1.16 C[C@@H](c1ccccc1)N=C=S L19986 [0,1,0,0,0,0|1,0,1]=3 195 B11R1.16 C[C@H](c1ccccc1)N=C=O L10305 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.16 C[C@H](c1ccccc1)N=C=S L20315 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.16 c1ccc(cc1)C(=O)CC#N A14473 [0,1,0,0,0,0|1,0,2]=4 198 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O H55567 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.16 c1ccc(cc1)[C@H](CCCl)O H54847 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [0,1,0,0,0,0|1,0,1]=3 216 B11R1.22 c1cc(ccc1C(=O)NN)Br A18918 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.22 c1cc(ccc1C(=O)NN)Cl A11911 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.22 c1cc(ccc1C(=O)NN)F H53496 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.22 c1cc(ccc1C(=O)NN)N A10963 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.22 c1cc(ccc1C(=O)NN)O A12702 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.23 CCC(=O)c1cccc(c1)Br A16757 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.23 CCC(=O)c1cccc(c1)Cl A12542 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.23 CCC(=O)c1cccc(c1)F L11922 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.23 CCC(c1cccc(c1)F)O H32342 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.23 Cc1cccc(c1)C(=O)NN L01043 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr A15210 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.23 c1cc(cc(c1)Br)C(=O)NN A19628 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr H66077 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN L01071 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.23 c1cc(cc(c1)N)C(=O)NN A11491 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.23 c1cc(cc(c1)O)C(=O)NN L04357 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.36 CC(=C)C(c1ccccc1)O B20936 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.36 CC(C(=O)c1ccccc1)Br A10661 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.36 CC(C)C(=O)c1ccccc1 B24628 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.36 CC(C)C(c1ccccc1)O B20729 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.36 CC(c1ccccc1)C(=O)O L00709 [0,1,0,0,0,0|1,0,1]=3 237 B11R1.36 CC(c1ccccc1)N(C)C A17989 [0,1,0,0,0,0|2,0,0]=3 238 B11R1.36 CN(c1ccccc1)C(=S)N B20824 [0,1,0,0,0,0|1,0,1]=3 239 B11R1.36 C[C@@H](c1ccccc1)C(=O)O L08802 [0,1,0,0,0,0|1,0,1]=3 240 B11R1.36 C[C@H](c1ccccc1)C(=O)O A17639 [0,1,0,0,0,0|1,0,1]=3 241 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl B23475 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.36 c1ccc(cc1)C(=O)C(F)F H25750 [0,1,0,0,0,0|2,0,1]=4 243 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [0,1,0,0,0,0|1,0,1]=3 244 B11R1.36 c1ccc(cc1)C(C(=O)O)F L01745 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.36 c1ccc(cc1)C(C(=O)O)N B21129 [0,1,0,0,0,0|2,0,1]=4 246 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.36 c1ccc(cc1)[C@@H](C(=O)Cl)N H56828 [0,1,0,0,0,0|2,0,1]=4 248 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [0,1,0,0,0,0|1,0,1]=3 249 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A15669 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A19360 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [0,1,0,0,0,0|2,0,1]=4 253 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [0,1,0,0,0,0|2,0,1]=4 254 B11R1.222 CCC(=O)c1ccccc1F L12423 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.222 CCC(=O)c1ccccc1O B25442 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.222 CCC(C)c1ccccc1O A18461 [0,1,0,0,0,0|1,0,0]=2 257 B11R1.222 CCC(c1ccccc1F)O H31929 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.222 Cc1ccccc1C(=O)NN L00668 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl H27303 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.222 c1ccc(c(c1)C(=O)CBr)F H34179 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [0,1,0,0,0,0|2,0,1]=4 263 B11R1.222 c1ccc(c(c1)C(=O)NN)Br L00937 [0,1,0,0,0,0|2,0,1]=4 264 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl A11361 [0,1,0,0,0,0|2,0,1]=4 265 B11R1.222 c1ccc(c(c1)C(=O)NN)F B24921 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.222 c1ccc(c(c1)C(=O)NN)N A10805 [0,1,0,0,0,0|2,0,1]=4 267 B11R1.222 c1ccc(c(c1)C(=O)NN)O A14218 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.222 c1ccc(c(c1)C(CN)O)F H50770 [0,1,0,0,0,0|1,0,0]=2 269 B11R1.222 c1ccc(c(c1)[C@@H](CO)O)Cl H56431 [0,1,0,0,0,0|2,0,0]=3 270 B11R2.1 C[n+]1csc2c1cccc2 L04837 [0,0,0,1,0,0|2,0,1]=4 271 B11R2.1 Cc1c2cccnc2[nH]n1 H61397 [0,0,0,1,0,0|2,0,1]=4 272 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [0,0,0,1,0,0|0,0,2]=3 273 B11R2.1 Cc1csc2c1cccc2 A15772 [0,0,0,1,0,0|1,0,2]=4 274 B11R2.1 Cn1c2ccccc2nn1 L00297 [0,0,0,1,0,0|2,0,1]=4 275 B11R2.1 Cn1ccc2c1cccc2 A12605 [0,0,0,1,0,0|2,0,1]=4 276 B11R2.1 Cn1cnc2c1cccc2 B25472 [0,0,0,1,0,0|1,0,2]=4 277 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [0,0,0,1,0,0|2,0,1]=4 278 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [0,0,0,1,0,0|2,0,1]=4 279 B11R2.1 c1ccc2c(c1)CCC2N A16585 [0,0,0,1,0,0|2,0,0]=3 280 B11R2.1 c1ccc2c(c1)CCC2O B24536 [0,0,0,1,0,0|2,0,0]=3 281 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [0,0,0,1,0,0|2,0,0]=3 282 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [0,0,0,1,0,0|2,0,0]=3 283 B11R2.1 c1ccc2c(c1)c(c[nH]2)I H66490 [0,0,0,1,0,0|1,0,2]=4 284 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br H37775 [0,0,0,1,0,0|2,0,1]=4 285 B11R2.1 c1ccc2c(c1)c(n[nH]2)N H33435 [0,0,0,1,0,0|2,0,1]=4 286 B9R1.11 CC(c1cccs1)NC H51109 [0,0,0,0,1,0|3,0,0]=4 287 B9R1.11 CCC(C)c1nccs1 A13483 [0,0,0,0,1,0|3,0,0]=4 288 B11R1.40 CC(CN)Oc1ccccc1 H50720 [0,0,0,0,0,1|0,0,0]=1 289 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [0,0,0,0,0,1|2,0,1]=4 290 B11R1.40 CCN(C)Cc1ccccc1 L08520 [0,0,0,0,0,1|2,0,0]=3 291 B11R1.40 C\C(=C/c1ccccc1)\C=O A10429 [0,0,0,0,0,1|1,0,2]=4 292 B11R1.40 c1ccc(cc1)CC(CO)N H63562 [0,0,0,0,0,1|2,0,0]=3 293 B11R1.40 c1ccc(cc1)C[C@@H](CO)N A11586 [0,0,0,0,0,1|2,0,0]=3 294 B11R1.40 c1ccc(cc1)C[C@H](CO)N L09697 [0,0,0,0,0,1|2,0,0]=3 295 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [0,0,0,0,0,1|2,0,1]=4 296 B11R1.40 c1ccc(cc1)NC(=S)NN A15349 [0,0,0,0,0,1|2,0,1]=4 297 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [0,0,0,0,0,1|2,0,1]=4 298 B8R1.2 C#Cc1ccccc1 A12139 [2,0,0,0,0,0|0,0,2]=4 299 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|0,0,2]=4 300 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|0,0,2]=4 301 B8R1.2 CC[n+]1ccccc1 A17911 [2,0,0,0,0,0|1,0,0]=3 302 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|0,0,0]=2 303 B8R1.2 CCc1ccccn1 A17352 [2,0,0,0,0,0|1,0,0]=3 304 B8R1.2 CCc1cccnc1 B20318 [2,0,0,0,0,0|1,0,0]=3 305 B8R1.2 CCc1ccncc1 A12883 [2,0,0,0,0,0|1,0,0]=3 306 B8R1.2 CCc1cnccn1 A12759 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|1,0,0]=3 308 B8R1.2 CNc1ccccn1 B23589 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.2 CNc1cccnc1 H63602 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.2 CNc1ccncc1 L19626 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|1,0,0]=3 312 B8R1.2 COc1ccccn1 A13675 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.2 COc1ccncc1 L19625 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|1,0,0]=3 315 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|1,0,0]=3 316 B8R1.2 [2H]Oc1ccccc1 H51100 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.2 [C-]#Cc1ccccc1 17538 [2,0,0,0,0,0|0,0,2]=4 318 B8R1.2 c1cc(cnc1)CCl A13279 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.2 c1cc(cnc1)CN B23634 [2,0,0,0,0,0|1,0,0]=3 320 B8R1.2 c1cc(cnc1)CO A10381 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.2 c1ccc(cc1)C#N 10004 [2,0,0,0,0,0|0,0,2]=4 322 B8R1.2 c1ccc(cc1)C#N 10006 [2,0,0,0,0,0|0,0,2]=4 323 B8R1.2 c1ccc(cc1)C#N A11173 [2,0,0,0,0,0|0,0,2]=4 324 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|1,0,1]=4 325 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|1,0,1]=4 326 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|1,0,1]=4 327 B8R1.2 c1ccc(cc1)CBr A13535 [2,0,0,0,0,0|1,0,0]=3 328 B8R1.2 c1ccc(cc1)CCl A12481 [2,0,0,0,0,0|1,0,0]=3 329 B8R1.2 c1ccc(cc1)CN A10997 [2,0,0,0,0,0|0,0,0]=2 330 B8R1.2 c1ccc(cc1)CN L04102 [2,0,0,0,0,0|0,0,0]=2 331 B8R1.2 c1ccc(cc1)CN L19471 [2,0,0,0,0,0|0,0,0]=2 332 B8R1.2 c1ccc(cc1)CO 41218 [2,0,0,0,0,0|1,0,0]=3 333 B8R1.2 c1ccc(cc1)CO L03292 [2,0,0,0,0,0|1,0,0]=3 334 B8R1.2 c1ccc(cc1)CO L19592 [2,0,0,0,0,0|1,0,0]=3 335 B8R1.2 c1ccc(cc1)CS 44466 [2,0,0,0,0,0|1,0,0]=3 336 B8R1.2 c1ccc(cc1)CS B20081 [2,0,0,0,0,0|1,0,0]=3 337 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [2,0,0,0,0,0|1,0,0]=3 338 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [2,0,0,0,0,0|1,0,0]=3 339 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [2,0,0,0,0,0|1,0,0]=3 340 B8R1.2 c1ccc(cc1)I=O B24531 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.2 c1ccc(cc1)NN A11246 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.2 c1ccc(cc1)NN A14645 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.2 c1ccc(cc1)[As]=O A14674 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.2 c1ccc(cc1)[Se]Br A11906 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.2 c1ccnc(c1)CCl A10226 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.2 c1ccnc(c1)CN B23208 [2,0,0,0,0,0|1,0,0]=3 348 B8R1.2 c1ccnc(c1)CO A15005 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.2 c1cnccc1CCl A12859 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.2 c1cnccc1CN L06345 [2,0,0,0,0,0|1,0,0]=3 351 B8R1.2 c1cnccc1CO A14698 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.2 c1cncnc1CN H32582 [2,0,0,0,0,0|2,0,0]=4 353 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [1,1,0,0,0,0|0,0,2]=4 354 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [1,1,0,0,0,0|0,0,2]=4 355 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [1,1,0,0,0,0|0,0,0]=2 362 B10R1.13 CC(C)c1ccc(cc1)I B25476 [1,1,0,0,0,0|0,0,0]=2 363 B10R1.13 CC(C)c1ccc(cc1)N A14646 [1,1,0,0,0,0|0,0,0]=2 364 B10R1.13 CC(C)c1ccc(cc1)O B22620 [1,1,0,0,0,0|0,0,0]=2 365 B10R1.13 CC(C)c1ccc(cc1)S A16038 [1,1,0,0,0,0|0,0,0]=2 366 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [1,1,0,0,0,0|0,0,0]=2 367 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.13 CC(c1ccc(cc1)F)N L04575 [1,1,0,0,0,0|0,0,0]=2 371 B10R1.13 CC(c1ccc(cc1)F)O B22097 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.13 CC(c1ccc(cc1)N)O L03341 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.13 CC(c1ccc(cc1)O)N H63700 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.13 CN(C)c1ccc(cc1)N A10343 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.13 CN(C)c1ccc(cc1)N A14175 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.13 CN(C)c1ccc(cc1)N A15962 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [1,1,0,0,0,0|0,0,0]=2 379 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [1,1,0,0,0,0|0,0,0]=2 380 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [1,1,0,0,0,0|0,0,0]=2 382 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [1,1,0,0,0,0|0,0,0]=2 383 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [1,1,0,0,0,0|0,0,0]=2 384 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [1,1,0,0,0,0|0,0,0]=2 385 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [1,1,0,0,0,0|0,0,0]=2 386 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [1,1,0,0,0,0|0,0,0]=2 387 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [1,1,0,0,0,0|0,0,2]=4 388 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [1,1,0,0,0,0|0,0,0]=2 392 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [1,1,0,0,0,0|0,0,0]=2 395 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [1,1,0,0,0,0|0,0,0]=2 396 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.13 c1cc(ccc1C(F)F)Br H33941 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.13 c1cc(ccc1C(F)F)Cl H34035 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.28 CC(C)(C)c1ccccc1 A12378 [1,1,0,0,0,0|0,0,0]=2 414 B10R1.28 CC(C)(C)c1ccccc1 L19048 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.28 CC(C)(C)c1cnccn1 A14035 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.28 CC(C)(c1ccccc1)N H26845 [1,1,0,0,0,0|0,0,0]=2 417 B10R1.28 CC(C)(c1ccccc1)O A15580 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.28 CP(=O)(c1ccccc1)Cl A18349 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.28 CP(=O)(c1ccccc1)O A19774 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.28 CS(=O)(=O)c1ccccc1 A11727 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.28 C[N+](C)(C)c1ccccc1 A14402 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.28 C[N+](C)(C)c1ccccc1 A15326 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.28 C[N+](C)(C)c1ccccc1 B22851 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.28 C[S@@](=N)(=O)c1ccccc1 L08562 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.28 C[S@](=N)(=O)c1ccccc1 L08618 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.28 C[Si](C)(C)c1ccccc1 L02876 [1,1,0,0,0,0|0,1,0]=3 427 B10R1.28 C[Si](C)(C)c1ccccn1 H26885 [1,1,0,0,0,0|1,1,0]=4 428 B10R1.28 C[Si](C)(c1ccccc1)Cl A15638 [1,1,0,0,0,0|0,1,0]=3 429 B10R1.28 C[Si](C)(c1ccccc1)O H27377 [1,1,0,0,0,0|0,1,0]=3 430 B10R1.28 C[Si](C)(c1ccccc1)[O-] H28457 [1,1,0,0,0,0|0,1,0]=3 431 B10R1.28 C[Si](c1ccccc1)(Cl)Cl B23999 [1,1,0,0,0,0|1,1,0]=4 432 B10R1.28 c1ccc(cc1)C(Cl)(Cl)Cl A15652 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.28 c1ccc(cc1)C(F)(F)F B21340 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.28 c1ccc(cc1)S(=O)(=O)N A10891 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.61 CC(=O)c1ccccc1Br A11982 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.61 CC(=O)c1ccccc1Cl A15232 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.61 CC(=O)c1ccccc1F A15128 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.61 CC(=O)c1ccccc1I B25345 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.61 CC(=O)c1ccccc1N A10895 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.61 CC(=O)c1ccccc1O A12550 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.61 CC(C)c1ccccc1Br L00941 [1,1,0,0,0,0|0,0,0]=2 442 B10R1.61 CC(C)c1ccccc1I L01533 [1,1,0,0,0,0|0,0,0]=2 443 B10R1.61 CC(C)c1ccccc1N A14671 [1,1,0,0,0,0|0,0,0]=2 444 B10R1.61 CC(C)c1ccccc1O A12027 [1,1,0,0,0,0|0,0,0]=2 445 B10R1.61 CC(c1ccccc1Cl)O B24800 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.61 CC(c1ccccc1F)O H31900 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.61 CN(C)c1ccccc1Br B25564 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.61 Cc1ccccc1C(=C)C H26073 [1,1,0,0,0,0|0,0,2]=4 452 B10R1.61 Cc1ccccc1C(=O)C A11695 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.61 Cc1ccccc1C(=S)N H51790 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.61 Cc1ccccc1C(C)O L08065 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.61 c1ccc(c(c1)C(=S)N)Br H55238 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.61 c1ccc(c(c1)C(=S)N)Cl L11180 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F L03984 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.61 c1ccc(c(c1)C(F)F)F H33688 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.113 CC(=O)c1cccc(c1)F A11733 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.113 CC(=O)c1cccc(c1)N A12503 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.113 CC(=O)c1cccc(c1)O A12547 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.113 CC(C)c1cccc(c1)Br L17654 [1,1,0,0,0,0|0,0,0]=2 471 B10R1.113 CC(c1cccc(c1)Cl)O L04783 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.113 CC(c1cccc(c1)F)O B23144 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.113 CC(c1cccc(c1)N)O L06513 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.113 CN(C)c1cccc(c1)Br L17279 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.113 CN(C)c1cccc(c1)Cl L08563 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.113 CN(C)c1cccc(c1)N L00403 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.113 CN(C)c1cccc(c1)O B23067 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.113 C[C@@H](c1cccc(c1)Br)N H26998 [1,1,0,0,0,0|0,0,0]=2 479 B10R1.113 C[C@@H](c1cccc(c1)Cl)N H27637 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.113 C[C@H](c1cccc(c1)Br)N H27636 [1,1,0,0,0,0|0,0,0]=2 481 B10R1.113 C[C@H](c1cccc(c1)Cl)N H27461 [1,1,0,0,0,0|0,0,0]=2 482 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [1,1,0,0,0,0|0,0,2]=4 483 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [1,1,0,0,0,0|1,0,1]=4 485 B10R1.113 Cc1cccc(c1)C(=S)N H26468 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.113 Cc1cccc(c1)C(C)O H32784 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.113 Cc1cccc(c1)N(C)C A13326 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.113 c1cc(cc(c1)Cl)C(=S)N H26423 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl B21973 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl L04121 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.113 c1cc(cc(c1)N)C(=S)N H51806 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.113 c1cc(cc(c1)N)C(F)F H34188 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.113 c1cc(cc(c1)O)C(=S)N H52236 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.1 CCCc1ccc(cc1)Br H26236 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.1 CCCc1ccc(cc1)I L05767 [1,1,0,0,0,0|1,0,0]=3 500 B10R1.1 CCCc1ccc(cc1)N L03880 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.1 CCCc1ccc(cc1)O A15342 [1,1,0,0,0,0|1,0,0]=3 502 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.1 CCOc1ccc(cc1)Br B21398 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.1 CCOc1ccc(cc1)I B21644 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.1 CCOc1ccc(cc1)N A10416 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.1 CCOc1ccc(cc1)O B20584 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.1 CCSc1ccc(cc1)Br L13718 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.1 CNCc1ccc(cc1)Br H54506 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.1 CNCc1ccc(cc1)Cl H63294 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.1 CNCc1ccc(cc1)F H54369 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.1 Cc1ccc(cc1)CC#N A12169 [1,1,0,0,0,0|0,0,2]=4 512 B10R1.1 Cc1ccc(cc1)CCO B20918 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.1 c1cc(ccc1CC#N)Br A10887 [1,1,0,0,0,0|0,0,2]=4 514 B10R1.1 c1cc(ccc1CC#N)Cl A15295 [1,1,0,0,0,0|0,0,2]=4 515 B10R1.1 c1cc(ccc1CC#N)F A14290 [1,1,0,0,0,0|0,0,2]=4 516 B10R1.1 c1cc(ccc1CC#N)I L15119 [1,1,0,0,0,0|0,0,2]=4 517 B10R1.1 c1cc(ccc1CC#N)N A11304 [1,1,0,0,0,0|0,0,2]=4 518 B10R1.1 c1cc(ccc1CC#N)O A10971 [1,1,0,0,0,0|0,0,2]=4 519 B10R1.1 c1cc(ccc1CCCl)F L16719 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.1 c1cc(ccc1CCN)Br H63706 [1,1,0,0,0,0|0,0,0]=2 521 B10R1.1 c1cc(ccc1CCN)Cl H63081 [1,1,0,0,0,0|0,0,0]=2 522 B10R1.1 c1cc(ccc1CCN)F H61791 [1,1,0,0,0,0|0,0,0]=2 523 B10R1.1 c1cc(ccc1CCN)N L15782 [1,1,0,0,0,0|0,0,0]=2 524 B10R1.1 c1cc(ccc1CCN)O A12220 [1,1,0,0,0,0|0,0,0]=2 525 B10R1.1 c1cc(ccc1CCO)Br A14143 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.1 c1cc(ccc1CCO)F L05618 [1,1,0,0,0,0|1,0,0]=3 527 B10R1.1 c1cc(ccc1CCO)N L15223 [1,1,0,0,0,0|1,0,0]=3 528 B10R1.1 c1cc(ccc1CCO)O A14891 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.4 C=CCc1ccccc1O A10755 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.4 CCCc1ccccc1O A11088 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.4 CCNc1ccccc1C A11315 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.4 CCOc1ccccc1O B24755 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.4 CNCc1ccccc1Br H63390 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.4 CNCc1ccccc1Cl H54680 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.4 CNCc1ccccc1F H54439 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.4 Cc1ccccc1CC#N A14787 [1,1,0,0,0,0|0,0,2]=4 537 B10R1.4 Cc1ccccc1CCN H28320 [1,1,0,0,0,0|0,0,0]=2 538 B10R1.4 Cc1ccccc1CNC H63956 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.4 c1ccc(c(c1)CC#N)Br A17548 [1,1,0,0,0,0|0,0,2]=4 540 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [1,1,0,0,0,0|0,0,2]=4 541 B10R1.4 c1ccc(c(c1)CC#N)F A11612 [1,1,0,0,0,0|0,0,2]=4 542 B10R1.4 c1ccc(c(c1)CC#N)I L12767 [1,1,0,0,0,0|0,0,2]=4 543 B10R1.4 c1ccc(c(c1)CC#N)N H66243 [1,1,0,0,0,0|0,0,2]=4 544 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [1,1,0,0,0,0|0,0,0]=2 545 B10R1.4 c1ccc(c(c1)CCO)F L19998 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.10 CCCc1cccc(c1)O B21266 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.10 CCOc1cccc(c1)Br B21418 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.10 CCOc1cccc(c1)O B24266 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.10 CNCc1cccc(c1)Br H54294 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.10 CNCc1cccc(c1)Cl H54986 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.10 CNCc1cccc(c1)F H56177 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.10 Cc1cccc(c1)CC#N A10558 [1,1,0,0,0,0|0,0,2]=4 554 B10R1.10 Cc1cccc(c1)CNC H63231 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.10 c1cc(cc(c1)Br)CC#N B20189 [1,1,0,0,0,0|0,0,2]=4 556 B10R1.10 c1cc(cc(c1)Cl)CC#N A15673 [1,1,0,0,0,0|0,0,2]=4 557 B10R1.10 c1cc(cc(c1)F)CC#N A12737 [1,1,0,0,0,0|0,0,2]=4 558 B10R1.10 c1cc(cc(c1)F)CCN H64762 [1,1,0,0,0,0|0,0,0]=2 559 B10R1.10 c1cc(cc(c1)I)CC#N L15118 [1,1,0,0,0,0|0,0,2]=4 560 B10R1.17 C#CCCc1ccccc1 L12946 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.17 C#CCOc1ccccc1 43923 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.17 C#CCOc1ccccc1 A18272 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.17 C=CCNc1ccccc1 H55821 [1,1,0,0,0,0|1,0,1]=4 564 B10R1.17 C=CCOc1ccccc1 L03359 [1,1,0,0,0,0|1,0,1]=4 565 B10R1.17 C=CCSc1ccccc1 L04771 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.17 CCC#Cc1ccccc1 A11332 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.17 CCCC[n+]1ccccc1 19740 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.17 CCCC[n+]1ccccc1 H26995 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.17 CCCCc1ccccc1 A10910 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.17 CCNCc1ccccc1 L05651 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.17 CCNCc1cccnc1 H51120 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.17 CCNCc1ccncc1 L13714 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.17 CNCCc1ccccn1 H50190 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.17 c1ccc(cc1)C#CCCl H53510 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.17 c1ccc(cc1)C#CCO 43778 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.17 c1ccc(cc1)C#CCO L06337 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.17 c1ccc(cc1)CCC#N L06483 [1,1,0,0,0,0|0,0,1]=3 578 B10R1.17 c1ccc(cc1)CCC=O A10367 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.17 c1ccc(cc1)CCCBr A14050 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.17 c1ccc(cc1)CCCCl B20445 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.17 c1ccc(cc1)CCCI H53420 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.17 c1ccc(cc1)CCCN L03023 [1,1,0,0,0,0|0,0,0]=2 583 B10R1.17 c1ccc(cc1)CCCO A13022 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.17 c1ccc(cc1)CN=C=O L02633 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.17 c1ccc(cc1)CN=C=S A15008 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] 32635 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.17 c1ccc(cc1)CNC=O B23722 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.17 c1ccc(cc1)COC=O L13405 [1,1,0,0,0,0|1,0,1]=4 590 B10R1.17 c1ccc(cc1)COCCl H60207 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.17 c1ccc(cc1)CSC#N B23902 [1,1,0,0,0,0|0,0,2]=4 592 B10R1.17 c1ccc(cc1)NCCN L03786 [1,1,0,0,0,0|0,0,0]=2 593 B10R1.17 c1ccc(cc1)NCCO B22131 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.17 c1ccc(cc1)OCC#N A11981 [1,1,0,0,0,0|0,0,2]=4 595 B10R1.17 c1ccc(cc1)OCCBr B21087 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.17 c1ccc(cc1)OCCCl L11345 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.17 c1ccc(cc1)OCCN A12225 [1,1,0,0,0,0|0,0,0]=2 598 B10R1.17 c1ccc(cc1)OCCO A10786 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.17 c1ccc(cc1)SCC#N A12869 [1,1,0,0,0,0|0,0,2]=4 600 B10R1.17 c1ccc(cc1)SCCBr L11005 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.17 c1ccc(cc1)SCCCl B23265 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.17 c1ccc(cc1)SCCO A10861 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [1,1,0,0,0,0|1,0,1]=4 605 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [1,1,0,0,0,0|1,0,1]=4 606 B10R1.18 CC(=C)Cc1ccccc1 B20370 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.18 CC(C)Cc1ccccn1 B22349 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.18 CC(C)Cc1cccnc1 B22080 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.18 CC(C)Nc1ccccc1 L10646 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.18 CC(C)Sc1ccccc1 A17124 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.18 CN(C)Cc1ccccc1 A12191 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [1,1,0,0,0,0|1,1,0]=4 613 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [1,1,0,0,0,0|1,0,1]=4 614 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [1,1,0,0,0,0|0,0,1]=3 617 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [1,1,0,0,0,0|1,0,1]=4 618 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [1,1,0,0,0,0|0,0,1]=3 619 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.18 c1ccc(cc1)NC(=S)N L06690 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.18 c1ccnc(c1)CC(=S)N H58993 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.18 c1cnccc1CC(=O)N B24734 [1,1,0,0,0,0|1,0,1]=4 625 B12R1.34 c1ccc(cc1)[C@@H]([C@H](CO)N)O 42183 [0,1,0,0,0,1|2,0,0]=4 626 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 L04943 [0,1,0,0,0,1|1,0,1]=4 627 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H62030 [0,1,0,0,0,1|1,0,1]=4 628 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H65506 [0,1,0,0,0,1|1,0,1]=4 629 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N H65853 [0,1,0,0,0,1|1,0,1]=4 630 B12R1.118 COC(Cc1ccccc1)OC A18730 [0,1,0,0,0,1|2,0,0]=4 631 B12R1.9 CCC(C)(C)c1ccc(cc1)O B20939 [0,2,0,0,0,0|1,0,0]=3 632 B12R1.39 CC(CC=C)(c1ccccc1)O B20248 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.39 CCCC(C)(c1ccccc1)O B20854 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.253 CC(C)(c1ccccc1)C(=O)O 32884 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.253 CC(c1ccccc1)(C(=O)O)O L07851 [0,2,0,0,0,0|1,0,1]=4 636 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O L08644 [0,2,0,0,0,0|1,0,1]=4 637 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O L08692 [0,2,0,0,0,0|1,0,1]=4 638 B12R1.475 CC(c1ccccc1)(OC)OC H55696 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.475 CCC(CC)(c1ccccc1)O B20871 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.3 CC[C@@H](c1ccccc1)N=C=O L20246 [0,2,0,0,0,0|1,0,1]=4 641 B12R1.3 CC[C@@H](c1ccccc1)N=C=S L20072 [0,2,0,0,0,0|1,0,1]=4 642 B12R1.3 CC[C@H](c1ccccc1)N=C=O L20355 [0,2,0,0,0,0|1,0,1]=4 643 B12R1.3 CC[C@H](c1ccccc1)N=C=S L20318 [0,2,0,0,0,0|1,0,1]=4 644 B12R1.12 CCN(CC)c1ccc(cc1)Br L03619 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.12 CCN(CC)c1ccc(cc1)N A17832 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.12 COC(c1ccc(cc1)Br)OC H55283 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.478 CCC(c1ccccc1)C(=O)Cl B22997 [0,2,0,0,0,0|1,0,1]=4 648 B12R1.478 CCC(c1ccccc1)C(=O)N A18501 [0,2,0,0,0,0|0,0,1]=3 649 B12R1.478 CCC(c1ccccc1)C(=O)O B23222 [0,2,0,0,0,0|1,0,1]=4 650 B12R1.478 CC[C@@H](c1ccccc1)C(=O)O L12754 [0,2,0,0,0,0|1,0,1]=4 651 B12R1.478 CC[C@H](c1ccccc1)C(=O)O L09464 [0,2,0,0,0,0|1,0,1]=4 652 B12R1.478 CN(C)C(C#N)c1ccccc1 H27631 [0,2,0,0,0,0|0,0,2]=4 653 B12R1.478 CN(C)C(CN)c1ccccc1 H50291 [0,2,0,0,0,0|0,0,0]=2 654 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O L08748 [0,2,0,0,0,0|1,0,1]=4 655 B12R1.478 CO[C@H](c1ccccc1)C(=O)O L08719 [0,2,0,0,0,0|1,0,1]=4 656 B12R1.478 c1ccc(cc1)C(CO)C(=O)O B22040 [0,2,0,0,0,0|1,0,1]=4 657 B12R1.16 C=CCC(c1ccc(cc1)Cl)O H53381 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.16 CC(c1ccc(cc1)Br)N=C=O L11836 [0,2,0,0,0,0|1,0,1]=4 659 B12R1.16 CC(c1ccc(cc1)F)N=C=S L12123 [0,2,0,0,0,0|1,0,1]=4 660 B12R1.16 CNCC(c1ccc(cc1)F)O H50796 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.16 C[C@@H](c1ccc(cc1)Br)N=C=O L20322 [0,2,0,0,0,0|1,0,1]=4 662 B12R1.16 C[C@@H](c1ccc(cc1)Br)N=C=S L20320 [0,2,0,0,0,0|1,0,1]=4 663 B12R1.16 C[C@@H](c1ccc(cc1)Cl)N=C=O L20227 [0,2,0,0,0,0|1,0,1]=4 664 B12R1.16 C[C@@H](c1ccc(cc1)Cl)N=C=S L19975 [0,2,0,0,0,0|1,0,1]=4 665 B12R1.16 C[C@@H](c1ccc(cc1)F)N=C=O L20231 [0,2,0,0,0,0|1,0,1]=4 666 B12R1.16 C[C@@H](c1ccc(cc1)F)N=C=S L19978 [0,2,0,0,0,0|1,0,1]=4 667 B12R1.16 C[C@H](c1ccc(cc1)Br)N=C=S L20319 [0,2,0,0,0,0|1,0,1]=4 668 B12R1.16 C[C@H](c1ccc(cc1)Cl)N=C=O L20226 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.16 C[C@H](c1ccc(cc1)Cl)N=C=S L19974 [0,2,0,0,0,0|1,0,1]=4 670 B12R1.16 C[C@H](c1ccc(cc1)F)N=C=O L20230 [0,2,0,0,0,0|1,0,1]=4 671 B12R1.16 C[C@H](c1ccc(cc1)F)N=C=S L19977 [0,2,0,0,0,0|1,0,1]=4 672 B12R1.30 CC(c1ccccc1)NCCO H50261 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.30 CCCCC(c1ccccc1)O L04646 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.30 CN(CCC#N)c1ccccc1 L11162 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.107 CC(CC(=O)O)c1ccccc1 L08078 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.107 C[C@@H](c1ccccc1)NC(C)C L18355 [0,2,0,0,0,0|1,0,0]=3 677 B12R1.107 C[C@H](c1ccccc1)NC(C)C L18354 [0,2,0,0,0,0|1,0,0]=3 678 B12R1.107 c1ccc(cc1)C(CC(=O)O)N L19801 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N H52034 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O L19040 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O L19041 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.5 COc1ccc(cc1)C(=O)CN H66966 [0,2,0,0,0,0|1,0,1]=4 683 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O L06020 [0,2,0,0,0,0|1,0,1]=4 684 B12R1.20 CC(c1ccc(cc1)O)C(=O)O B24938 [0,2,0,0,0,0|1,0,1]=4 685 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O L08087 [0,2,0,0,0,0|1,0,0]=3 686 B12R1.358 CCC(c1cc(cc(c1)F)F)O H32058 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.564 c1ccc(cc1)C(C(Cl)(Cl)Cl)O L06694 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.564 c1ccc(cc1)C(C(F)(F)F)O B21235 [0,2,0,0,0,0|2,0,0]=4 689 B10R2.6 c1ccc(cc1)C2CO2 L07821 [1,0,0,1,0,0|1,0,0]=3 690 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [1,0,0,1,0,0|1,0,0]=3 691 B10R2.7 c1cc2c(nc1)CCC2 H25896 [1,0,0,1,0,0|2,0,0]=4 692 B10R2.7 c1cc2c(nc1)NCC2 H64551 [1,0,0,1,0,0|1,0,0]=3 693 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,1,0,0|1,0,1]=4 694 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,1,0,0|1,0,1]=4 695 B10R2.7 c1ccc2c(c1)CCC2 B21442 [1,0,0,1,0,0|1,0,0]=3 696 B10R2.7 c1ccc2c(c1)CCN2 A11000 [1,0,0,1,0,0|0,0,0]=2 697 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,1,0,0|1,0,0]=3 698 B10R2.7 c1ccc2c(c1)CNC2 H63012 [1,0,0,1,0,0|2,0,0]=4 699 B10R2.7 c1ccc2c(c1)COC2 45592 [1,0,0,1,0,0|2,0,0]=4 700 B10R2.7 c1ccc2c(c1)COC2 A10217 [1,0,0,1,0,0|2,0,0]=4 701 B10R2.7 c1ccc2c(c1)OCO2 A14192 [1,0,0,1,0,0|2,0,0]=4 702 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [1,0,0,1,0,0|1,0,1]=4 703 B10R2.7 c1ccc2c(c1)[nH]nn2 A15423 [1,0,0,1,0,0|2,0,0]=4 704 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,1,0,0|0,0,2]=4 705 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,1,0,0|1,0,1]=4 706 B12R2.18 c1ccc2c(c1)CC(C2O)Br A13511 [0,0,0,1,0,1|2,0,0]=4 707 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O H32066 [0,0,0,1,0,1|1,0,0]=3 708 B12R2.24 CC1CNc2ccccc2O1 H61002 [0,0,0,1,0,1|0,0,0]=2 709 B12R2.24 CC1CNc2ccccc2S1 H61005 [0,0,0,1,0,1|0,0,0]=2 710 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [0,0,0,1,0,1|2,0,0]=4 711 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [0,0,0,1,0,1|1,0,1]=4 712 B12R2.32 c1ccc2c(c1)CC(C2)CN H66610 [0,0,0,1,0,1|0,0,0]=2 713 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO H27711 [0,0,0,1,0,1|1,0,0]=3 714 B12R2.32 c1ccc2c(c1)[nH]c(n2)CN L07440 [0,0,0,1,0,1|1,0,1]=4 715 B12R2.32 c1ccc2c(c1)cc([nH]2)CN H54281 [0,0,0,1,0,1|0,0,2]=4 716 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO L15762 [0,1,0,1,0,0|0,0,2]=4 717 B12R2.2 c1cc(cnc1)C2CCCN2 L10809 [0,1,0,1,0,0|2,0,0]=4 718 B12R2.2 c1ccc(cc1)C2NCCS2 H62823 [0,1,0,1,0,0|2,0,0]=4 719 B12R2.2 c1ccc(cc1)N2CCCC2 L05239 [0,1,0,1,0,0|2,0,0]=4 720 B12R2.2 c1ccnc(c1)C2CCCN2 H50176 [0,1,0,1,0,0|2,0,0]=4 721 B12R2.2 c1cnccc1C2CCCN2 H26051 [0,1,0,1,0,0|2,0,0]=4 722 B12R2.1081 CC1c2ccccc2CCN1 H64191 [0,1,0,1,0,0|1,0,0]=3 723 B12R2.1081 c1ccc2c(c1)C(CCO2)O A14940 [0,1,0,1,0,0|2,0,0]=4 724 B12R2.1081 c1ccc2c(c1)CCCC2N B25673 [0,1,0,1,0,0|2,0,0]=4 725 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N L17022 [0,1,0,1,0,0|2,0,0]=4 726 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N L17021 [0,1,0,1,0,0|2,0,0]=4 727 B12R2.2028 Cn1c2ccccc2c(n1)N H34285 [0,1,0,1,0,0|1,0,1]=4 728 B12R2.92 CC1(CC1c2ccccc2)C B21271 [0,1,0,1,0,0|1,0,0]=3 729 B12R2.92 c1ccc(cc1)C2CC2(Cl)Cl A12279 [0,1,0,1,0,0|1,0,0]=3 730 B12R2.203 Cc1c[nH]c2c1c(ccc2)Br H37430 [0,1,0,1,0,0|0,0,2]=4 731 B8R1.7 CC(=C1C=CC=C1)C B21826 [1,0,0,0,1,0|0,0,1]=3 732 B8R1.7 CC(C)c1[nH]ccn1 A13307 [1,0,0,0,1,0|2,0,0]=4 733 B8R1.7 CC(C1=CCC=C1)O L19681 [1,0,0,0,1,0|1,0,1]=4 734 B8R1.7 CC(c1cccs1)N H26052 [1,0,0,0,1,0|1,0,0]=3 735 B8R1.7 C[C@@H](C1=CCC=C1)O L19683 [1,0,0,0,1,0|1,0,1]=4 736 B8R1.7 C[C@H](C1=CCC=C1)O L19682 [1,0,0,0,1,0|1,0,1]=4 737 B8R1.7 C[C@H](c1cccs1)O H26936 [1,0,0,0,1,0|2,0,0]=4 738 B8R1.8 CCCc1ccco1 B21703 [1,0,0,0,1,0|2,0,0]=4 739 B8R1.8 CCCc1cccs1 L03052 [1,0,0,0,1,0|2,0,0]=4 740 B8R1.8 c1c(nc[nH]1)CCN L09198 [1,0,0,0,1,0|2,0,0]=4 741 B8R1.8 c1cc(sc1)CCN A10920 [1,0,0,0,1,0|1,0,0]=3 742 B8R1.8 c1cc(sc1)CCO B21562 [1,0,0,0,1,0|2,0,0]=4 743 B8R1.8 c1cscc1CCO L15138 [1,0,0,0,1,0|2,0,0]=4 744 B12R1.27 CCC(C#Cc1ccccc1)O H53416 [0,0,0,0,0,2|2,0,0]=4 745 B12R1.27 c1ccc(cc1)COC(=O)CN H50247 [0,0,0,0,0,2|1,0,1]=4 746 B12R1.27 c1ccc(cc1)COC(=O)CN H56016 [0,0,0,0,0,2|1,0,1]=4 747 B12R1.27 c1ccc(cc1)OCC(CN)O H50245 [0,0,0,0,0,2|1,0,0]=3 748 B12R1.27 c1ccc(cc1)OCC(CO)O B25701 [0,0,0,0,0,2|2,0,0]=4