0 B10R1.15 C#CC(c1ccccc1)O L09549 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.15 CC(C#N)c1ccccc1 A13636 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 CC(C=O)c1ccccc1 B22436 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 CC(CBr)c1ccccc1 L16267 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 CC(CN)c1ccccc1 H36338 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 CC(CO)c1ccccc1 B23473 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 CCC(=O)c1ccccc1 A15140 [0,0,0,0,0,0|0,0,2]=2 7 B10R1.15 CCC(=O)c1cccnc1 L09711 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.15 CCC(=O)c1ccncc1 L11552 [0,0,0,0,0,0|1,0,2]=3 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|0,0,0]=0 11 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [0,0,0,0,0,0|0,0,0]=0 13 B10R1.15 CC[C@H](c1ccccc1)N L16319 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.15 CC[C@H](c1ccccc1)O L05681 [0,0,0,0,0,0|0,0,0]=0 15 B10R1.15 CN(C=O)c1ccccc1 A11829 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.15 CNC(=O)c1ccccc1 A18057 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.15 COC(=O)c1ccccc1 44368 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.15 COC(=O)c1ccccc1 A12404 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.15 COC(=O)c1ccccn1 H54530 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.15 COC(=O)c1cccnc1 B23908 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.15 COC(=O)c1ccncc1 B23263 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.15 CSC(=N)c1ccccn1 H51786 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.15 CSC(=N)c1cccnc1 H51776 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.15 CSC(=N)c1ccncc1 H51774 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [0,0,0,0,0,0|1,0,3]=4 29 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [0,0,0,0,0,0|1,0,2]=3 30 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [0,0,0,0,0,0|1,0,2]=3 31 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [0,0,0,0,0,0|1,0,2]=3 32 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [0,0,0,0,0,0|1,0,2]=3 33 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [0,0,0,0,0,0|1,0,1]=2 36 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [0,0,0,0,0,0|1,0,0]=1 38 B10R1.15 c1ccc(cc1)C(CN)O H63932 [0,0,0,0,0,0|1,0,0]=1 39 B10R1.15 c1ccc(cc1)C(CO)O L04551 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.15 c1ccc(cc1)N(N=O)[O-] A16551 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [0,0,0,0,0,0|1,0,0]=1 43 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [0,0,0,0,0,0|1,0,0]=1 45 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [0,0,0,0,0,0|1,0,1]=2 46 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [0,0,0,0,0,0|1,0,0]=1 47 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [0,0,0,0,0,0|2,0,0]=2 48 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [0,0,0,0,0,0|1,0,0]=1 49 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.15 c1cnccc1C(=O)CBr H32285 [0,0,0,0,0,0|2,0,2]=4 51 B9R1.6 B(c1ccccc1)(Cl)Cl 32583 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.6 B(c1ccccc1)(O)O A14257 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 B(c1ccccc1)(O)O L19459 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.6 B(c1ccccn1)(O)O H53314 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.6 B(c1cccnc1)(O)O L15040 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.6 B(c1ccncc1)(O)O H52648 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.6 B(c1ccncc1)(O)O L15179 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.6 CC(=C)c1ccccc1 L03609 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.6 CC(=O)c1ccccc1 A12727 [1,0,0,0,0,0|0,0,2]=3 60 B9R1.6 CC(=O)c1ccccn1 A12688 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.6 CC(=O)c1cccnc1 A14246 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.6 CC(=O)c1ccncc1 A12015 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.6 CC(C)c1ccccc1 A11864 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.6 CC(C)c1cnccn1 A13891 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.6 CC(c1ccccc1)Br A16839 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.6 CC(c1ccccc1)N A15711 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.6 CC(c1ccccc1)O A13837 [1,0,0,0,0,0|0,0,0]=1 68 B9R1.6 CC(c1ccccc1)S H26345 [1,0,0,0,0,0|0,1,0]=2 69 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.6 CC(c1ccccn1)N H26046 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.6 CC(c1cccnc1)N H26047 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.6 CC(c1ccncc1)N H50303 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.6 CC(c1ccncc1)O H58711 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.6 CN(C)c1ccccc1 A11916 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.6 CN(C)c1ccccn1 L02513 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.6 CN(C)c1ccncc1 A13016 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.6 CN(C)c1ccncc1 H51715 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.6 CN(c1ccccc1)N B22440 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 CP(C)c1ccccc1 A17975 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.6 CS(=O)c1ccccc1 A15009 [1,0,0,0,0,0|1,0,1]=3 82 B9R1.6 C[C@@H](c1ccccc1)N A12632 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.6 C[C@@H](c1ccccc1)N L19118 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.6 C[C@@H](c1ccccc1)O B21188 [1,0,0,0,0,0|0,0,0]=1 85 B9R1.6 C[C@H](c1ccccc1)N A10967 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.6 C[C@H](c1ccccc1)N L19117 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.6 C[C@H](c1ccccc1)O L19296 [1,0,0,0,0,0|0,0,0]=1 88 B9R1.6 C[C@H](c1ccncc1)O H51033 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.6 C[SiH](C)c1ccccc1 L04558 [1,0,0,0,0,0|1,1,0]=3 90 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [1,0,0,0,0,0|1,0,2]=4 91 B9R1.6 c1cc(cnc1)C(=O)O A12683 [1,0,0,0,0,0|2,0,1]=4 92 B9R1.6 c1cc(cnc1)C(F)F H33189 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.6 c1ccc(cc1)C(=N)N A16002 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [1,0,0,0,0,0|1,0,2]=4 95 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [1,0,0,0,0,0|1,0,2]=4 96 B9R1.6 c1ccc(cc1)C(=O)F L11464 [1,0,0,0,0,0|1,0,2]=4 97 B9R1.6 c1ccc(cc1)C(=O)N A10501 [1,0,0,0,0,0|1,0,2]=4 98 B9R1.6 c1ccc(cc1)C(=O)O 36230 [1,0,0,0,0,0|1,0,1]=3 99 B9R1.6 c1ccc(cc1)C(=O)O A14062 [1,0,0,0,0,0|1,0,1]=3 100 B9R1.6 c1ccc(cc1)C(=O)O H25864 [1,0,0,0,0,0|1,0,1]=3 101 B9R1.6 c1ccc(cc1)C(=O)O L19473 [1,0,0,0,0,0|1,0,1]=3 102 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [1,0,0,0,0,0|1,0,2]=4 103 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [1,0,0,0,0,0|1,0,2]=4 104 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [1,0,0,0,0,0|1,0,2]=4 105 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [1,0,0,0,0,0|1,0,2]=4 106 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [1,0,0,0,0,0|1,0,2]=4 107 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [1,0,0,0,0,0|1,0,2]=4 108 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [1,0,0,0,0,0|1,0,2]=4 109 B9R1.6 c1ccc(cc1)C(=S)N A12973 [1,0,0,0,0,0|1,1,1]=4 110 B9R1.6 c1ccc(cc1)C(=S)O B24458 [1,0,0,0,0,0|1,0,1]=3 111 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [1,0,0,0,0,0|1,0,2]=4 112 B9R1.6 c1ccc(cc1)P(=O)O A17453 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [1,0,0,0,0,0|2,1,0]=4 119 B9R1.6 c1ccnc(c1)C(=O)O A14749 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.6 c1ccnc(c1)C(F)F H33258 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.6 c1cnccc1C(=O)O A18109 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.6 c1cnccc1C(F)F H34075 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.8 C#CCc1ccccc1 H53500 [1,0,0,0,0,0|0,0,2]=3 124 B9R1.8 C=CCc1ccccc1 A12965 [1,0,0,0,0,0|0,0,2]=3 125 B9R1.8 CC#Cc1ccccc1 A14272 [1,0,0,0,0,0|0,0,2]=3 126 B9R1.8 CCCc1ccccc1 B21468 [1,0,0,0,0,0|0,0,0]=1 127 B9R1.8 CCNc1ccccc1 A15060 [1,0,0,0,0,0|1,0,0]=2 128 B9R1.8 CCOc1ccccc1 A15501 [1,0,0,0,0,0|1,0,0]=2 129 B9R1.8 CCOc1ccccn1 L05649 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.8 CCOc1cnccn1 B25219 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.8 CCSc1ccccc1 A13987 [1,0,0,0,0,0|1,0,0]=2 132 B9R1.8 CNCc1ccccc1 A13746 [1,0,0,0,0,0|1,0,0]=2 133 B9R1.8 CNCc1cccnc1 H50262 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.8 COCc1ccccc1 B23490 [1,0,0,0,0,0|1,0,0]=2 135 B9R1.8 C\N=C\c1ccccc1 B25161 [1,0,0,0,0,0|1,0,1]=3 136 B9R1.8 c1cc(cnc1)CC#N B24964 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.8 c1cc(cnc1)CCN L16311 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.8 c1cc[n+](cc1)CC#N A14327 [1,0,0,0,0,0|2,0,1]=4 139 B9R1.8 c1ccc(cc1)CC#N A10694 [1,0,0,0,0,0|1,0,1]=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|1,0,0]=2 144 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|2,0,0]=3 147 B9R1.8 c1ccc(cc1)CON A17393 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.8 c1ccc(cc1)CON L13601 [1,0,0,0,0,0|2,0,0]=3 149 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|2,0,1]=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|2,0,1]=4 158 B9R1.8 c1ccnc(c1)CCN L05627 [1,0,0,0,0,0|2,0,0]=3 159 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|2,0,1]=4 162 B9R1.8 c1cnccc1CC#N H64588 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.8 c1cnccc1CCN H27545 [1,0,0,0,0,0|2,0,0]=3 164 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|0,0,2]=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|1,0,1]=3 168 B11R1.7 CNS(=O)(=O)c1ccccc1 H55666 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.7 COP(=O)(C)c1ccccc1 A18760 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.7 COS(=O)(=O)c1ccccc1 B24515 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.7 CO[Si](C)(C)c1ccccc1 H27165 [0,1,0,0,0,0|2,1,0]=4 172 B11R1.12 B(CC)(CC)c1cccnc1 H64225 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.12 B(c1ccccn1)(OC)OC H53067 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.12 CCC(C#N)c1ccccc1 A17093 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.12 CCN(CC)c1ccccc1 A10560 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.12 CCP(CC)c1ccccc1 10180 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.12 COC(c1ccccc1)OC A11009 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.12 COP(c1ccccc1)OC A14006 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.12 CO[C@@H](CO)c1ccccc1 L14044 [0,1,0,0,0,0|1,0,0]=2 180 B11R1.12 C\C=C(\C=O)/c1ccccc1 A14185 [0,1,0,0,0,0|0,0,3]=4 181 B11R1.12 c1ccc(cc1)C(CO)CO H56761 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.12 c1ccc(cc1)P(CO)CO H27733 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.16 C=CCC(c1ccccc1)O H53466 [0,1,0,0,0,0|0,0,1]=2 184 B11R1.16 CC(c1ccccc1)N=C=S B20011 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.16 CCCC(=O)c1ccccc1 A11345 [0,1,0,0,0,0|0,0,2]=3 186 B11R1.16 CCCC(C)c1ccccc1 B20114 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.16 CCC[C@@H](c1ccccc1)N H27048 [0,1,0,0,0,0|1,0,0]=2 188 B11R1.16 CCC[C@H](c1ccccc1)N H27156 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.16 CCOC(=N)c1ccccc1 L17684 [0,1,0,0,0,0|1,0,1]=3 190 B11R1.16 CCOC(=O)c1ccccc1 44283 [0,1,0,0,0,0|0,0,2]=3 191 B11R1.16 CCOC(=O)c1ccccc1 A13057 [0,1,0,0,0,0|0,0,2]=3 192 B11R1.16 CCOC(=O)c1ccccn1 A13973 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.16 CCOC(=O)c1cccnc1 L03215 [0,1,0,0,0,0|1,0,2]=4 194 B11R1.16 CCOC(=O)c1ccncc1 L03010 [0,1,0,0,0,0|1,0,2]=4 195 B11R1.16 CN(CCO)c1ccccn1 B25555 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.16 CNCC(c1ccccc1)O L08111 [0,1,0,0,0,0|0,0,0]=1 197 B11R1.16 C[C@@H](c1ccccc1)N=C=O L11141 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.16 C[C@@H](c1ccccc1)N=C=S L19986 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.16 C[C@H](c1ccccc1)N=C=O L10305 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.16 C[C@H](c1ccccc1)N=C=S L20315 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.16 c1ccc(cc1)C(=O)CC#N A14473 [0,1,0,0,0,0|0,0,3]=4 202 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [0,1,0,0,0,0|0,0,2]=3 203 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [0,1,0,0,0,0|1,0,2]=4 204 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [0,1,0,0,0,0|1,0,2]=4 205 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O H55567 [0,1,0,0,0,0|0,0,0]=1 206 B11R1.16 c1ccc(cc1)[C@H](CCCl)O H54847 [0,1,0,0,0,0|0,0,0]=1 207 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [0,1,0,0,0,0|0,0,2]=3 208 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [0,1,0,0,0,0|0,0,2]=3 209 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [0,1,0,0,0,0|0,0,2]=3 210 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [0,1,0,0,0,0|0,0,2]=3 211 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [0,1,0,0,0,0|0,0,2]=3 212 B11R1.22 CNC(=O)c1ccc(cc1)Br H57940 [0,1,0,0,0,0|1,0,2]=4 213 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [0,1,0,0,0,0|1,0,2]=4 214 B11R1.22 COC(=O)c1ccc(cc1)Br A15517 [0,1,0,0,0,0|1,0,2]=4 215 B11R1.22 COC(=O)c1ccc(cc1)Cl A10109 [0,1,0,0,0,0|1,0,2]=4 216 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [0,1,0,0,0,0|1,0,2]=4 217 B11R1.22 COC(=O)c1ccc(cc1)I A19342 [0,1,0,0,0,0|1,0,2]=4 218 B11R1.22 COC(=O)c1ccc(cc1)N A11715 [0,1,0,0,0,0|1,0,2]=4 219 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [0,1,0,0,0,0|1,0,2]=4 220 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [0,1,0,0,0,0|1,0,2]=4 221 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [0,1,0,0,0,0|1,0,2]=4 222 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [0,1,0,0,0,0|1,0,2]=4 223 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [0,1,0,0,0,0|1,0,2]=4 224 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [0,1,0,0,0,0|1,0,2]=4 226 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [0,1,0,0,0,0|1,0,2]=4 227 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [0,1,0,0,0,0|1,0,2]=4 228 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [0,1,0,0,0,0|1,0,2]=4 229 B11R1.23 CCC(=O)c1cccc(c1)Br A16757 [0,1,0,0,0,0|0,0,2]=3 230 B11R1.23 CCC(=O)c1cccc(c1)Cl A12542 [0,1,0,0,0,0|0,0,2]=3 231 B11R1.23 CCC(=O)c1cccc(c1)F L11922 [0,1,0,0,0,0|0,0,2]=3 232 B11R1.23 CCC(c1cccc(c1)F)O H32342 [0,1,0,0,0,0|0,0,0]=1 233 B11R1.23 CNC(=O)c1cccc(c1)Cl H56565 [0,1,0,0,0,0|1,0,2]=4 234 B11R1.23 COC(=O)c1cccc(c1)Br A16174 [0,1,0,0,0,0|1,0,2]=4 235 B11R1.23 COC(=O)c1cccc(c1)Cl B21371 [0,1,0,0,0,0|1,0,2]=4 236 B11R1.23 COC(=O)c1cccc(c1)N A14766 [0,1,0,0,0,0|1,0,2]=4 237 B11R1.23 COC(=O)c1cccc(c1)O A14425 [0,1,0,0,0,0|1,0,2]=4 238 B11R1.23 Cc1cccc(c1)C(=O)NC H56299 [0,1,0,0,0,0|1,0,2]=4 239 B11R1.23 Cc1cccc(c1)C(=O)OC A10893 [0,1,0,0,0,0|1,0,2]=4 240 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr A15210 [0,1,0,0,0,0|1,0,2]=4 241 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr H66077 [0,1,0,0,0,0|1,0,2]=4 242 B11R1.36 CC(=C)C(c1ccccc1)O B20936 [0,1,0,0,0,0|0,0,1]=2 243 B11R1.36 CC(C(=O)c1ccccc1)Br A10661 [0,1,0,0,0,0|0,0,2]=3 244 B11R1.36 CC(C)C(=O)c1ccccc1 B24628 [0,1,0,0,0,0|0,0,2]=3 245 B11R1.36 CC(C)C(c1ccccc1)O B20729 [0,1,0,0,0,0|0,0,0]=1 246 B11R1.36 CC(c1ccccc1)C(=O)O L00709 [0,1,0,0,0,0|2,0,1]=4 247 B11R1.36 CC(c1ccccc1)N(C)C A17989 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.36 CN(C)C(=O)c1ccccc1 A18766 [0,1,0,0,0,0|1,0,2]=4 249 B11R1.36 C[C@@H](c1ccccc1)C(=O)O L08802 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.36 C[C@H](c1ccccc1)C(=O)O A17639 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl B23475 [0,1,0,0,0,0|1,0,2]=4 252 B11R1.36 c1ccc(cc1)C(=O)C(F)F H25750 [0,1,0,0,0,0|1,0,2]=4 253 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [0,1,0,0,0,0|1,0,1]=3 254 B11R1.36 c1ccc(cc1)C(C(=O)O)F L01745 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.36 c1ccc(cc1)C(C(=O)O)N B21129 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [0,1,0,0,0,0|1,0,1]=3 257 B11R1.36 c1ccc(cc1)[C@@H](C(=O)Cl)N H56828 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A15669 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A19360 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [0,1,0,0,0,0|1,0,1]=3 262 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [0,1,0,0,0,0|1,0,1]=3 263 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [0,1,0,0,0,0|1,0,1]=3 264 B11R1.222 CCC(=O)c1ccccc1F L12423 [0,1,0,0,0,0|0,0,2]=3 265 B11R1.222 CCC(=O)c1ccccc1O B25442 [0,1,0,0,0,0|0,0,2]=3 266 B11R1.222 CCC(C)c1ccccc1O A18461 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.222 CCC(c1ccccc1F)O H31929 [0,1,0,0,0,0|0,0,0]=1 268 B11R1.222 CNC(=O)c1ccccc1Br H50583 [0,1,0,0,0,0|1,0,2]=4 269 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [0,1,0,0,0,0|1,0,2]=4 270 B11R1.222 CNC(=O)c1ccccc1F H56104 [0,1,0,0,0,0|1,0,2]=4 271 B11R1.222 COC(=O)c1ccccc1Br A12435 [0,1,0,0,0,0|1,0,2]=4 272 B11R1.222 COC(=O)c1ccccc1Cl A11237 [0,1,0,0,0,0|1,0,2]=4 273 B11R1.222 COC(=O)c1ccccc1F A16133 [0,1,0,0,0,0|1,0,2]=4 274 B11R1.222 COC(=O)c1ccccc1I A13204 [0,1,0,0,0,0|1,0,2]=4 275 B11R1.222 COC(=O)c1ccccc1N A15681 [0,1,0,0,0,0|1,0,2]=4 276 B11R1.222 COC(=O)c1ccccc1O A10578 [0,1,0,0,0,0|1,0,2]=4 277 B11R1.222 COC(=O)c1ccccc1S H28400 [0,1,0,0,0,0|1,0,2]=4 278 B11R1.222 Cc1ccccc1C(=O)CBr H64651 [0,1,0,0,0,0|1,0,2]=4 279 B11R1.222 Cc1ccccc1C(=O)OC A15695 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl H27303 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.222 c1ccc(c(c1)C(=O)CBr)F H34179 [0,1,0,0,0,0|1,0,2]=4 282 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [0,1,0,0,0,0|1,0,2]=4 283 B11R1.222 c1ccc(c(c1)C(CN)O)F H50770 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.222 c1ccc(c(c1)[C@@H](CO)O)Cl H56431 [0,1,0,0,0,0|1,0,0]=2 285 B11R2.1 B1(c2ccccc2CO1)O L15192 [0,0,0,1,0,0|2,0,0]=3 286 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [0,0,0,1,0,0|1,0,2]=4 287 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [0,0,0,1,0,0|0,0,2]=3 288 B11R2.1 c1ccc2c(c1)CCC2N A16585 [0,0,0,1,0,0|1,0,0]=2 289 B11R2.1 c1ccc2c(c1)CCC2O B24536 [0,0,0,1,0,0|0,0,0]=1 290 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [0,0,0,1,0,0|1,0,0]=2 291 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [0,0,0,1,0,0|1,0,0]=2 292 B11R2.1 c1ccc2c(c1)COC2=O A15516 [0,0,0,1,0,0|1,0,2]=4 293 B9R1.11 CC(c1cccs1)NC H51109 [0,0,0,0,1,0|3,0,0]=4 294 B9R1.11 CCC(=O)c1ccc[nH]1 B23954 [0,0,0,0,1,0|1,0,2]=4 295 B9R1.11 CCC(=O)c1ccco1 H26754 [0,0,0,0,1,0|1,0,2]=4 296 B9R1.11 CCC(=O)c1cccs1 L02318 [0,0,0,0,1,0|1,0,2]=4 297 B9R1.11 CCC(C)c1nccs1 A13483 [0,0,0,0,1,0|3,0,0]=4 298 B11R1.40 CC(CN)Oc1ccccc1 H50720 [0,0,0,0,0,1|2,0,0]=3 299 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [0,0,0,0,0,1|0,0,2]=3 300 B11R1.40 CCN(C)Cc1ccccc1 L08520 [0,0,0,0,0,1|2,0,0]=3 301 B11R1.40 COC(=O)Cc1ccccc1 A15537 [0,0,0,0,0,1|1,0,2]=4 302 B11R1.40 COC(=O)Oc1ccccc1 B25232 [0,0,0,0,0,1|1,0,2]=4 303 B11R1.40 c1ccc(cc1)CC(CO)N H63562 [0,0,0,0,0,1|2,0,0]=3 304 B11R1.40 c1ccc(cc1)C[C@@H](CO)N A11586 [0,0,0,0,0,1|2,0,0]=3 305 B11R1.40 c1ccc(cc1)C[C@H](CO)N L09697 [0,0,0,0,0,1|2,0,0]=3 306 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [0,0,0,0,0,1|1,0,2]=4 307 B8R0.4 CCC\C=C\C=C\CO A16820 [1,0,1,0,0,0|1,0,1]=4 308 B8R1.2 C#Cc1ccccc1 A12139 [2,0,0,0,0,0|0,0,2]=4 309 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|0,0,2]=4 310 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|0,0,2]=4 311 B8R1.2 CC[n+]1ccccc1 A17911 [2,0,0,0,0,0|1,0,0]=3 312 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|0,0,0]=2 313 B8R1.2 CCc1ccccn1 A17352 [2,0,0,0,0,0|1,0,0]=3 314 B8R1.2 CCc1cccnc1 B20318 [2,0,0,0,0,0|1,0,0]=3 315 B8R1.2 CCc1ccncc1 A12883 [2,0,0,0,0,0|1,0,0]=3 316 B8R1.2 CCc1cnccn1 A12759 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|1,0,0]=3 318 B8R1.2 CNc1ccccn1 B23589 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.2 CNc1cccnc1 H63602 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.2 CNc1ccncc1 L19626 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|1,0,0]=3 322 B8R1.2 COc1ccccn1 A13675 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.2 COc1ccncc1 L19625 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|1,0,0]=3 325 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|1,0,0]=3 326 B8R1.2 [2H]Oc1ccccc1 H51100 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.2 [C-]#Cc1ccccc1 17538 [2,0,0,0,0,0|0,0,2]=4 328 B8R1.2 c1cc(cnc1)CCl A13279 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.2 c1cc(cnc1)CN B23634 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.2 c1cc(cnc1)CO A10381 [2,0,0,0,0,0|1,0,0]=3 331 B8R1.2 c1ccc(cc1)C#N 10004 [2,0,0,0,0,0|1,0,1]=4 332 B8R1.2 c1ccc(cc1)C#N 10006 [2,0,0,0,0,0|1,0,1]=4 333 B8R1.2 c1ccc(cc1)C#N A11173 [2,0,0,0,0,0|1,0,1]=4 334 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|0,0,2]=4 335 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|0,0,2]=4 336 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|0,0,2]=4 337 B8R1.2 c1ccc(cc1)CBr A13535 [2,0,0,0,0,0|1,0,0]=3 338 B8R1.2 c1ccc(cc1)CCl A12481 [2,0,0,0,0,0|1,0,0]=3 339 B8R1.2 c1ccc(cc1)CN A10997 [2,0,0,0,0,0|1,0,0]=3 340 B8R1.2 c1ccc(cc1)CN L04102 [2,0,0,0,0,0|1,0,0]=3 341 B8R1.2 c1ccc(cc1)CN L19471 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.2 c1ccc(cc1)CO 41218 [2,0,0,0,0,0|0,0,0]=2 343 B8R1.2 c1ccc(cc1)CO L03292 [2,0,0,0,0,0|0,0,0]=2 344 B8R1.2 c1ccc(cc1)CO L19592 [2,0,0,0,0,0|0,0,0]=2 345 B8R1.2 c1ccc(cc1)CS 44466 [2,0,0,0,0,0|0,1,0]=3 346 B8R1.2 c1ccc(cc1)CS B20081 [2,0,0,0,0,0|0,1,0]=3 347 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [2,0,0,0,0,0|1,0,0]=3 348 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [2,0,0,0,0,0|1,0,0]=3 349 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [2,0,0,0,0,0|1,0,0]=3 350 B8R1.2 c1ccc(cc1)I=O B24531 [2,0,0,0,0,0|1,0,1]=4 351 B8R1.2 c1ccc(cc1)NN A11246 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.2 c1ccc(cc1)NN A14645 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.2 c1ccc(cc1)[As]=O A14674 [2,0,0,0,0,0|1,0,1]=4 354 B8R1.2 c1ccc(cc1)[Se]Br A11906 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.2 c1ccnc(c1)CCl A10226 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.2 c1ccnc(c1)CN B23208 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.2 c1ccnc(c1)CO A15005 [2,0,0,0,0,0|1,0,0]=3 359 B8R1.2 c1cnccc1CCl A12859 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.2 c1cnccc1CN L06345 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.2 c1cnccc1CO A14698 [2,0,0,0,0,0|1,0,0]=3 362 B8R1.2 c1cncnc1CO H31754 [2,0,0,0,0,0|2,0,0]=4 363 B10R1.13 B(c1ccc(cc1)Br)(O)O L01565 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.13 B(c1ccc(cc1)C)(O)O A13347 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.13 B(c1ccc(cc1)Cl)(O)O A15657 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.13 B(c1ccc(cc1)F)(O)O A15991 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.13 B(c1ccc(cc1)I)(O)O H51119 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.13 B(c1ccc(cc1)N)(O)O H27479 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.13 B(c1ccc(cc1)O)(O)O L15594 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [1,1,0,0,0,0|0,0,2]=4 373 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [1,1,0,0,0,0|0,0,2]=4 374 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [1,1,0,0,0,0|0,0,2]=4 375 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [1,1,0,0,0,0|0,0,2]=4 376 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [1,1,0,0,0,0|0,0,2]=4 377 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [1,1,0,0,0,0|0,0,2]=4 378 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.13 CC(C)c1ccc(cc1)I B25476 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.13 CC(C)c1ccc(cc1)N A14646 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.13 CC(C)c1ccc(cc1)O B22620 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.13 CC(C)c1ccc(cc1)S A16038 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [1,1,0,0,0,0|0,0,0]=2 386 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [1,1,0,0,0,0|0,0,0]=2 387 B10R1.13 CC(c1ccc(cc1)F)N L04575 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.13 CC(c1ccc(cc1)F)O B22097 [1,1,0,0,0,0|0,0,0]=2 389 B10R1.13 CC(c1ccc(cc1)N)O L03341 [1,1,0,0,0,0|0,0,0]=2 390 B10R1.13 CC(c1ccc(cc1)O)N H63700 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.13 CN(C)c1ccc(cc1)N A10343 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.13 CN(C)c1ccc(cc1)N A14175 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.13 CN(C)c1ccc(cc1)N A15962 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [1,1,0,0,0,0|1,0,0]=3 396 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [1,1,0,0,0,0|0,0,2]=4 406 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [1,1,0,0,0,0|0,0,0]=2 409 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [1,1,0,0,0,0|1,0,1]=4 417 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.13 c1cc(ccc1C(F)F)Br H33941 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.13 c1cc(ccc1C(F)F)Cl H34035 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.28 CC(C)(C)c1ccccc1 A12378 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.28 CC(C)(C)c1ccccc1 L19048 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.28 CC(C)(c1ccccc1)N H26845 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.28 CC(C)(c1ccccc1)O A15580 [1,1,0,0,0,0|0,0,0]=2 425 B10R1.28 CP(=O)(c1ccccc1)Cl A18349 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.28 CP(=O)(c1ccccc1)O A19774 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.28 CS(=O)(=O)c1ccccc1 A11727 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.28 C[N+](C)(C)c1ccccc1 A14402 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.28 C[N+](C)(C)c1ccccc1 A15326 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.28 C[N+](C)(C)c1ccccc1 B22851 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.28 C[S@@](=N)(=O)c1ccccc1 L08562 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.28 C[S@](=N)(=O)c1ccccc1 L08618 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.28 C[Si](C)(C)c1ccccc1 L02876 [1,1,0,0,0,0|1,1,0]=4 434 B10R1.28 C[Si](C)(c1ccccc1)Cl A15638 [1,1,0,0,0,0|1,1,0]=4 435 B10R1.28 C[Si](C)(c1ccccc1)O H27377 [1,1,0,0,0,0|0,1,0]=3 436 B10R1.28 C[Si](C)(c1ccccc1)[O-] H28457 [1,1,0,0,0,0|0,1,1]=4 437 B10R1.28 C[Si](c1ccccc1)(Cl)Cl B23999 [1,1,0,0,0,0|1,1,0]=4 438 B10R1.28 c1ccc(cc1)C(Cl)(Cl)Cl A15652 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.28 c1ccc(cc1)C(F)(F)F B21340 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.28 c1ccc(cc1)P(=O)(O)O B22939 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.28 c1ccc(cc1)S(=O)(=O)O A16148 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.28 c1ccc(cc1)S(=O)(=O)O L19077 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.28 c1ccc(cc1)[As](=O)(O)O A10625 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.61 B(c1ccccc1Br)(O)O L18581 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.61 B(c1ccccc1C)(O)O B23154 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.61 B(c1ccccc1Cl)(O)O B23324 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.61 B(c1ccccc1F)(O)O B23103 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.61 B(c1ccccc1N)(O)O L18069 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.61 B(c1ccccc1O)(O)O L19400 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.61 CC(=O)c1ccccc1Br A11982 [1,1,0,0,0,0|0,0,2]=4 451 B10R1.61 CC(=O)c1ccccc1Cl A15232 [1,1,0,0,0,0|0,0,2]=4 452 B10R1.61 CC(=O)c1ccccc1F A15128 [1,1,0,0,0,0|0,0,2]=4 453 B10R1.61 CC(=O)c1ccccc1I B25345 [1,1,0,0,0,0|0,0,2]=4 454 B10R1.61 CC(=O)c1ccccc1N A10895 [1,1,0,0,0,0|0,0,2]=4 455 B10R1.61 CC(=O)c1ccccc1O A12550 [1,1,0,0,0,0|0,0,2]=4 456 B10R1.61 CC(C)c1ccccc1Br L00941 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.61 CC(C)c1ccccc1I L01533 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.61 CC(C)c1ccccc1N A14671 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.61 CC(C)c1ccccc1O A12027 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.61 CC(c1ccccc1Cl)O B24800 [1,1,0,0,0,0|0,0,0]=2 461 B10R1.61 CC(c1ccccc1F)O H31900 [1,1,0,0,0,0|0,0,0]=2 462 B10R1.61 CN(C)c1ccccc1Br B25564 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [1,1,0,0,0,0|0,0,0]=2 464 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [1,1,0,0,0,0|0,0,0]=2 465 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [1,1,0,0,0,0|0,0,0]=2 466 B10R1.61 Cc1ccccc1C(=C)C H26073 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.61 Cc1ccccc1C(=O)C A11695 [1,1,0,0,0,0|0,0,2]=4 468 B10R1.61 Cc1ccccc1C(=O)O A13856 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.61 Cc1ccccc1C(C)O L08065 [1,1,0,0,0,0|0,0,0]=2 470 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F L03984 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.61 c1ccc(c(c1)C(F)F)F H33688 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.113 B(c1cccc(c1)Br)(O)O L16354 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.113 B(c1cccc(c1)C)(O)O B23025 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.113 B(c1cccc(c1)Cl)(O)O B24444 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.113 B(c1cccc(c1)F)(O)O B21247 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.113 B(c1cccc(c1)I)(O)O H51112 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.113 B(c1cccc(c1)N)(O)O A17240 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.113 B(c1cccc(c1)N)(O)O A18189 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.113 B(c1cccc(c1)N)(O)O H52595 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.113 B(c1cccc(c1)N)(O)O H52909 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.113 B(c1cccc(c1)O)(O)O L19061 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [1,1,0,0,0,0|0,0,2]=4 491 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [1,1,0,0,0,0|0,0,2]=4 492 B10R1.113 CC(=O)c1cccc(c1)F A11733 [1,1,0,0,0,0|0,0,2]=4 493 B10R1.113 CC(=O)c1cccc(c1)N A12503 [1,1,0,0,0,0|0,0,2]=4 494 B10R1.113 CC(=O)c1cccc(c1)O A12547 [1,1,0,0,0,0|0,0,2]=4 495 B10R1.113 CC(C)c1cccc(c1)Br L17654 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.113 CC(c1cccc(c1)Cl)O L04783 [1,1,0,0,0,0|0,0,0]=2 497 B10R1.113 CC(c1cccc(c1)F)O B23144 [1,1,0,0,0,0|0,0,0]=2 498 B10R1.113 CC(c1cccc(c1)N)O L06513 [1,1,0,0,0,0|0,0,0]=2 499 B10R1.113 CN(C)c1cccc(c1)Br L17279 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.113 CN(C)c1cccc(c1)Cl L08563 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.113 CN(C)c1cccc(c1)N L00403 [1,1,0,0,0,0|2,0,0]=4 502 B10R1.113 CN(C)c1cccc(c1)O B23067 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.113 C[C@@H](c1cccc(c1)Br)N H26998 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.113 C[C@@H](c1cccc(c1)Cl)N H27637 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.113 C[C@H](c1cccc(c1)Br)N H27636 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.113 C[C@H](c1cccc(c1)Cl)N H27461 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [1,1,0,0,0,0|0,0,2]=4 509 B10R1.113 Cc1cccc(c1)C(=O)O A13785 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.113 Cc1cccc(c1)C(C)O H32784 [1,1,0,0,0,0|0,0,0]=2 511 B10R1.113 Cc1cccc(c1)N(C)C A13326 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.113 c1cc(cc(c1)Br)C(=O)O A12606 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.113 c1cc(cc(c1)Cl)C(=O)O A10876 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl B21973 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.113 c1cc(cc(c1)F)C(=O)O A16511 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl L04121 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.113 c1cc(cc(c1)I)C(=O)O A11515 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.113 c1cc(cc(c1)N)C(=O)O A19540 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.113 c1cc(cc(c1)N)C(=O)O L08407 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.113 c1cc(cc(c1)N)C(F)F H34188 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.1 CCCc1ccc(cc1)Br H26236 [1,1,0,0,0,0|0,0,0]=2 523 B10R1.1 CCCc1ccc(cc1)I L05767 [1,1,0,0,0,0|0,0,0]=2 524 B10R1.1 CCCc1ccc(cc1)N L03880 [1,1,0,0,0,0|0,0,0]=2 525 B10R1.1 CCCc1ccc(cc1)O A15342 [1,1,0,0,0,0|0,0,0]=2 526 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [1,1,0,0,0,0|0,0,0]=2 527 B10R1.1 CCCc1cnc(nc1)Cl H27409 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.1 CCCc1cnc(nc1)S H27239 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.1 CCOc1ccc(cc1)Br B21398 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.1 CCOc1ccc(cc1)I B21644 [1,1,0,0,0,0|1,0,0]=3 531 B10R1.1 CCOc1ccc(cc1)N A10416 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.1 CCOc1ccc(cc1)O B20584 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.1 CCOc1ccc(cn1)Br H27197 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.1 CCOc1ccc(cn1)I H50156 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.1 CCSc1ccc(cc1)Br L13718 [1,1,0,0,0,0|1,0,0]=3 536 B10R1.1 CNCc1ccc(cc1)Br H54506 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.1 CNCc1ccc(cc1)Cl H63294 [1,1,0,0,0,0|1,0,0]=3 538 B10R1.1 CNCc1ccc(cc1)F H54369 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.1 Cc1ccc(cc1)CC#N A12169 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.1 Cc1ccc(cc1)CCO B20918 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.1 c1cc(ccc1CC#N)Br A10887 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.1 c1cc(ccc1CC#N)Cl A15295 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.1 c1cc(ccc1CC#N)F A14290 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.1 c1cc(ccc1CC#N)I L15119 [1,1,0,0,0,0|1,0,1]=4 545 B10R1.1 c1cc(ccc1CC#N)N A11304 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.1 c1cc(ccc1CC#N)O A10971 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.1 c1cc(ccc1CCCl)F L16719 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.1 c1cc(ccc1CCN)Br H63706 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.1 c1cc(ccc1CCN)Cl H63081 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.1 c1cc(ccc1CCN)F H61791 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.1 c1cc(ccc1CCN)N L15782 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.1 c1cc(ccc1CCN)O A12220 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.1 c1cc(ccc1CCO)Br A14143 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.1 c1cc(ccc1CCO)F L05618 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.1 c1cc(ccc1CCO)N L15223 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.1 c1cc(ccc1CCO)O A14891 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.4 C=CCc1ccccc1O A10755 [1,1,0,0,0,0|0,0,2]=4 558 B10R1.4 CCCc1c(nccn1)C B22013 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.4 CCCc1ccccc1O A11088 [1,1,0,0,0,0|0,0,0]=2 560 B10R1.4 CCNc1ccccc1C A11315 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.4 CCOc1c(cccn1)Br H27690 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.4 CCOc1c(cccn1)I H50100 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.4 CCOc1ccccc1O B24755 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.4 CNCc1ccccc1Br H63390 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.4 CNCc1ccccc1Cl H54680 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.4 CNCc1ccccc1F H54439 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.4 Cc1ccccc1CC#N A14787 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.4 Cc1ccccc1CCN H28320 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.4 Cc1ccccc1CNC H63956 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.4 c1ccc(c(c1)CC#N)Br A17548 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.4 c1ccc(c(c1)CC#N)F A11612 [1,1,0,0,0,0|1,0,1]=4 573 B10R1.4 c1ccc(c(c1)CC#N)I L12767 [1,1,0,0,0,0|1,0,1]=4 574 B10R1.4 c1ccc(c(c1)CC#N)N H66243 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.4 c1ccc(c(c1)CCO)F L19998 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.10 CCCc1cccc(c1)O B21266 [1,1,0,0,0,0|0,0,0]=2 578 B10R1.10 CCOc1cccc(c1)Br B21418 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.10 CCOc1cccc(c1)O B24266 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.10 CCOc1cccc(n1)Cl B24984 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.10 CNCc1cccc(c1)Br H54294 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.10 CNCc1cccc(c1)Cl H54986 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.10 CNCc1cccc(c1)F H56177 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.10 Cc1cccc(c1)CC#N A10558 [1,1,0,0,0,0|1,0,1]=4 585 B10R1.10 Cc1cccc(c1)CNC H63231 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.10 c1cc(cc(c1)Br)CC#N B20189 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.10 c1cc(cc(c1)Cl)CC#N A15673 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.10 c1cc(cc(c1)F)CC#N A12737 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.10 c1cc(cc(c1)F)CCN H64762 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.10 c1cc(cc(c1)I)CC#N L15118 [1,1,0,0,0,0|1,0,1]=4 591 B10R1.17 C#CCCc1ccccc1 L12946 [1,1,0,0,0,0|0,0,1]=3 592 B10R1.17 C#CCOc1ccccc1 43923 [1,1,0,0,0,0|0,0,2]=4 593 B10R1.17 C#CCOc1ccccc1 A18272 [1,1,0,0,0,0|0,0,2]=4 594 B10R1.17 C1C=CCC(=C1)CCCO H31465 [1,1,0,0,0,0|0,0,2]=4 595 B10R1.17 C=CCNc1ccccc1 H55821 [1,1,0,0,0,0|0,0,2]=4 596 B10R1.17 C=CCOc1ccccc1 L03359 [1,1,0,0,0,0|0,0,2]=4 597 B10R1.17 C=CCSc1ccccc1 L04771 [1,1,0,0,0,0|0,0,2]=4 598 B10R1.17 CCC#Cc1ccccc1 A11332 [1,1,0,0,0,0|0,0,1]=3 599 B10R1.17 CCCC[n+]1ccccc1 19740 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.17 CCCC[n+]1ccccc1 H26995 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.17 CCCCc1ccccc1 A10910 [1,1,0,0,0,0|0,0,0]=2 602 B10R1.17 CCNCc1ccccc1 L05651 [1,1,0,0,0,0|0,0,0]=2 603 B10R1.17 CCNCc1cccnc1 H51120 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.17 CCNCc1ccncc1 L13714 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.17 CNCCc1ccccn1 H50190 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.17 c1ccc(cc1)C#CCCl H53510 [1,1,0,0,0,0|0,0,2]=4 607 B10R1.17 c1ccc(cc1)C#CCO 43778 [1,1,0,0,0,0|0,0,2]=4 608 B10R1.17 c1ccc(cc1)C#CCO L06337 [1,1,0,0,0,0|0,0,2]=4 609 B10R1.17 c1ccc(cc1)CCC#N L06483 [1,1,0,0,0,0|0,0,1]=3 610 B10R1.17 c1ccc(cc1)CCC=O A10367 [1,1,0,0,0,0|0,0,1]=3 611 B10R1.17 c1ccc(cc1)CCCBr A14050 [1,1,0,0,0,0|0,0,0]=2 612 B10R1.17 c1ccc(cc1)CCCCl B20445 [1,1,0,0,0,0|0,0,0]=2 613 B10R1.17 c1ccc(cc1)CCCI H53420 [1,1,0,0,0,0|0,0,0]=2 614 B10R1.17 c1ccc(cc1)CCCN L03023 [1,1,0,0,0,0|0,0,0]=2 615 B10R1.17 c1ccc(cc1)CCCO A13022 [1,1,0,0,0,0|0,0,0]=2 616 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [1,1,0,0,0,0|0,0,0]=2 617 B10R1.17 c1ccc(cc1)CN=C=O L02633 [1,1,0,0,0,0|1,0,1]=4 618 B10R1.17 c1ccc(cc1)CN=C=S A15008 [1,1,0,0,0,0|1,0,1]=4 619 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] 32635 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.17 c1ccc(cc1)CNC=O B23722 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.17 c1ccc(cc1)COC=O L13405 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.17 c1ccc(cc1)COCCl H60207 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.17 c1ccc(cc1)CSC#N B23902 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.17 c1ccc(cc1)NCCN L03786 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.17 c1ccc(cc1)NCCO B22131 [1,1,0,0,0,0|1,0,0]=3 626 B10R1.17 c1ccc(cc1)OCC#N A11981 [1,1,0,0,0,0|1,0,1]=4 627 B10R1.17 c1ccc(cc1)OCCBr B21087 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.17 c1ccc(cc1)OCCCl L11345 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.17 c1ccc(cc1)OCCN A12225 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.17 c1ccc(cc1)OCCO A10786 [1,1,0,0,0,0|1,0,0]=3 631 B10R1.17 c1ccc(cc1)SCC#N A12869 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.17 c1ccc(cc1)SCCBr L11005 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.17 c1ccc(cc1)SCCCl B23265 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.17 c1ccc(cc1)SCCO A10861 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [1,1,0,0,0,0|0,0,2]=4 636 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [1,1,0,0,0,0|0,0,2]=4 637 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [1,1,0,0,0,0|0,0,2]=4 638 B10R1.18 CC(=C)Cc1ccccc1 B20370 [1,1,0,0,0,0|0,0,1]=3 639 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [1,1,0,0,0,0|1,0,1]=4 640 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [1,1,0,0,0,0|1,0,1]=4 641 B10R1.18 CC(=O)Cc1ccncc1 L18667 [1,1,0,0,0,0|1,0,1]=4 642 B10R1.18 CC(=O)Nc1ccccc1 A14361 [1,1,0,0,0,0|1,0,1]=4 643 B10R1.18 CC(=O)Oc1ccccc1 B22561 [1,1,0,0,0,0|1,0,1]=4 644 B10R1.18 CC(=O)Oc1ccccc1 L19598 [1,1,0,0,0,0|1,0,1]=4 645 B10R1.18 CC(=O)Sc1ccccc1 H55175 [1,1,0,0,0,0|1,0,1]=4 646 B10R1.18 CC(C)Cc1ccccn1 B22349 [1,1,0,0,0,0|1,0,0]=3 647 B10R1.18 CC(C)Cc1cccnc1 B22080 [1,1,0,0,0,0|1,0,0]=3 648 B10R1.18 CC(C)Cc1cnccn1 A10245 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.18 CC(C)Nc1ccccc1 L10646 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.18 CC(C)Sc1ccccc1 A17124 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.18 CN(C)Cc1ccccc1 A12191 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [1,1,0,0,0,0|0,1,0]=3 653 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [1,1,0,0,0,0|1,0,1]=4 655 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [1,1,0,0,0,0|1,0,1]=4 657 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [0,1,0,0,0,1|0,0,2]=4 658 B12R1.32 CCOC(=O)Nc1ccccc1 L05027 [0,1,0,0,0,1|0,0,2]=4 659 B12R1.34 c1ccc(cc1)[C@@H]([C@H](CO)N)O 42183 [0,1,0,0,0,1|2,0,0]=4 660 B12R1.43 CC(C)C(=O)Cc1ccccc1 L07176 [0,1,0,0,0,1|0,0,2]=4 661 B12R1.43 c1ccc(cc1)CC(C(=O)O)O L09854 [0,1,0,0,0,1|1,0,1]=4 662 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O A18203 [0,1,0,0,0,1|1,0,1]=4 663 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O H35096 [0,1,0,0,0,1|1,0,1]=4 664 B12R1.118 COC(Cc1ccccc1)OC A18730 [0,1,0,0,0,1|1,0,0]=3 665 B12R1.9 CCC(C)(C)c1ccc(cc1)O B20939 [0,2,0,0,0,0|1,0,0]=3 666 B12R1.39 CC(CC=C)(c1ccccc1)O B20248 [0,2,0,0,0,0|0,0,1]=3 667 B12R1.39 CCCC(C)(c1ccccc1)O B20854 [0,2,0,0,0,0|0,0,0]=2 668 B12R1.39 CCNS(=O)(=O)c1ccccc1 H55463 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.39 c1ccc(cc1)S(=O)(=O)CCCl B21690 [0,2,0,0,0,0|1,0,1]=4 670 B12R1.253 CC(c1ccccc1)(C(=O)O)O L07851 [0,2,0,0,0,0|1,0,1]=4 671 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O L08644 [0,2,0,0,0,0|1,0,1]=4 672 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O L08692 [0,2,0,0,0,0|1,0,1]=4 673 B12R1.475 CC(c1ccccc1)(OC)OC H55696 [0,2,0,0,0,0|1,0,0]=3 674 B12R1.475 CCC(CC)(c1ccccc1)O B20871 [0,2,0,0,0,0|0,0,0]=2 675 B12R1.3 CC[C@@H](c1ccccc1)N=C=O L20246 [0,2,0,0,0,0|0,0,1]=3 676 B12R1.3 CC[C@@H](c1ccccc1)N=C=S L20072 [0,2,0,0,0,0|0,1,0]=3 677 B12R1.3 CC[C@H](c1ccccc1)N=C=O L20355 [0,2,0,0,0,0|0,0,1]=3 678 B12R1.3 CC[C@H](c1ccccc1)N=C=S L20318 [0,2,0,0,0,0|0,1,0]=3 679 B12R1.3 CC\C=C(\C=O)/c1ccccc1 A13635 [0,2,0,0,0,0|0,0,2]=4 680 B12R1.12 CCN(CC)c1ccc(cc1)Br L03619 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.12 CCN(CC)c1ccc(cc1)N A17832 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.12 COC(c1ccc(cc1)Br)OC H55283 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.478 CCC(c1ccccc1)C(=O)Cl B22997 [0,2,0,0,0,0|0,0,1]=3 684 B12R1.478 CCC(c1ccccc1)C(=O)N A18501 [0,2,0,0,0,0|0,0,1]=3 685 B12R1.478 CCC(c1ccccc1)C(=O)O B23222 [0,2,0,0,0,0|0,0,0]=2 686 B12R1.478 CC[C@@H](c1ccccc1)C(=O)O L12754 [0,2,0,0,0,0|0,0,0]=2 687 B12R1.478 CC[C@H](c1ccccc1)C(=O)O L09464 [0,2,0,0,0,0|0,0,0]=2 688 B12R1.478 CN(C)C(C#N)c1ccccc1 H27631 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.478 CN(C)C(CN)c1ccccc1 H50291 [0,2,0,0,0,0|2,0,0]=4 690 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O L08748 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.478 CO[C@H](c1ccccc1)C(=O)O L08719 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.478 c1ccc(cc1)C(CO)C(=O)O B22040 [0,2,0,0,0,0|1,0,0]=3 693 B12R1.16 C=CCC(c1ccc(cc1)Cl)O H53381 [0,2,0,0,0,0|0,0,1]=3 694 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A14531 [0,2,0,0,0,0|0,0,2]=4 695 B12R1.16 CCCC(=O)c1ccc(cc1)F H26034 [0,2,0,0,0,0|0,0,2]=4 696 B12R1.16 CCNC(=O)c1ccc(cc1)Br H58111 [0,2,0,0,0,0|0,0,2]=4 697 B12R1.16 CCNC(=O)c1ccc(cc1)C H57901 [0,2,0,0,0,0|0,0,2]=4 698 B12R1.16 CCNC(=O)c1ccc(cc1)Cl H59072 [0,2,0,0,0,0|0,0,2]=4 699 B12R1.16 CCNC(=O)c1ccc(cc1)F H58065 [0,2,0,0,0,0|0,0,2]=4 700 B12R1.16 CCOC(=O)c1ccc(cc1)Br A11365 [0,2,0,0,0,0|0,0,2]=4 701 B12R1.16 CCOC(=O)c1ccc(cc1)C A10568 [0,2,0,0,0,0|0,0,2]=4 702 B12R1.16 CCOC(=O)c1ccc(cc1)Cl A12540 [0,2,0,0,0,0|0,0,2]=4 703 B12R1.16 CCOC(=O)c1ccc(cc1)F B21484 [0,2,0,0,0,0|0,0,2]=4 704 B12R1.16 CCOC(=O)c1ccc(cc1)I A14570 [0,2,0,0,0,0|0,0,2]=4 705 B12R1.16 CCOC(=O)c1ccc(cc1)N A12754 [0,2,0,0,0,0|0,0,2]=4 706 B12R1.16 CCOC(=O)c1ccc(cc1)O A13172 [0,2,0,0,0,0|0,0,2]=4 707 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58477 [0,2,0,0,0,0|0,0,2]=4 708 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58484 [0,2,0,0,0,0|0,0,2]=4 709 B12R1.16 CNCC(c1ccc(cc1)F)O H50796 [0,2,0,0,0,0|0,0,0]=2 710 B12R1.16 c1cc(ccc1C(=O)CCCl)Br A13988 [0,2,0,0,0,0|0,0,2]=4 711 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl A13311 [0,2,0,0,0,0|0,0,2]=4 712 B12R1.16 c1cc(ccc1C(=O)CCCl)F B21891 [0,2,0,0,0,0|0,0,2]=4 713 B12R1.17 CCNC(=O)c1cccc(c1)C H59871 [0,2,0,0,0,0|0,0,2]=4 714 B12R1.17 CCNC(=O)c1cccc(c1)Cl H58141 [0,2,0,0,0,0|0,0,2]=4 715 B12R1.17 CCOC(=O)c1cccc(c1)Br A10251 [0,2,0,0,0,0|0,0,2]=4 716 B12R1.17 CCOC(=O)c1cccc(c1)C B23925 [0,2,0,0,0,0|0,0,2]=4 717 B12R1.17 CCOC(=O)c1cccc(c1)Cl L01065 [0,2,0,0,0,0|0,0,2]=4 718 B12R1.17 CCOC(=O)c1cccc(c1)F L07984 [0,2,0,0,0,0|0,0,2]=4 719 B12R1.17 CCOC(=O)c1cccc(c1)I A14210 [0,2,0,0,0,0|0,0,2]=4 720 B12R1.17 CCOC(=O)c1cccc(c1)N A14448 [0,2,0,0,0,0|0,0,2]=4 721 B12R1.17 CCOC(=O)c1cccc(c1)O A15343 [0,2,0,0,0,0|0,0,2]=4 722 B12R1.17 CCOC(=O)c1cccc(c1)[Zn+] H58105 [0,2,0,0,0,0|0,0,2]=4 723 B12R1.30 CC(c1ccccc1)NCCO H50261 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.30 CCCCC(=O)c1ccccc1 A10525 [0,2,0,0,0,0|0,0,2]=4 725 B12R1.30 CCCCC(c1ccccc1)O L04646 [0,2,0,0,0,0|0,0,0]=2 726 B12R1.30 CN(CCC#N)c1ccccc1 L11162 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.30 c1ccc(cc1)C(=O)CCCCl L06383 [0,2,0,0,0,0|0,0,2]=4 728 B12R1.30 c1ccc(cc1)C(=O)NCCCl L06212 [0,2,0,0,0,0|0,0,2]=4 729 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [0,2,0,0,0,0|0,0,2]=4 730 B12R1.107 CC(CC(=O)O)c1ccccc1 L08078 [0,2,0,0,0,0|1,0,1]=4 731 B12R1.107 C[C@@H](c1ccccc1)NC(C)C L18355 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.107 C[C@H](c1ccccc1)NC(C)C L18354 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.107 c1ccc(cc1)C(CC(=O)O)N L19801 [0,2,0,0,0,0|1,0,1]=4 734 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N H52034 [0,2,0,0,0,0|1,0,1]=4 735 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O L19040 [0,2,0,0,0,0|0,0,1]=3 736 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O L19041 [0,2,0,0,0,0|0,0,1]=3 737 B12R1.308 CCNC(=O)c1ccccc1Cl H59064 [0,2,0,0,0,0|0,0,2]=4 738 B12R1.308 CCNC(=O)c1ccccc1F H59435 [0,2,0,0,0,0|0,0,2]=4 739 B12R1.308 CCOC(=O)c1ccccc1Br A13166 [0,2,0,0,0,0|0,0,2]=4 740 B12R1.308 CCOC(=O)c1ccccc1C L00598 [0,2,0,0,0,0|0,0,2]=4 741 B12R1.308 CCOC(=O)c1ccccc1Cl A10141 [0,2,0,0,0,0|0,0,2]=4 742 B12R1.308 CCOC(=O)c1ccccc1F A16564 [0,2,0,0,0,0|0,0,2]=4 743 B12R1.308 CCOC(=O)c1ccccc1I L07650 [0,2,0,0,0,0|0,0,2]=4 744 B12R1.308 CCOC(=O)c1ccccc1N A14378 [0,2,0,0,0,0|0,0,2]=4 745 B12R1.308 CCOC(=O)c1ccccc1O A10101 [0,2,0,0,0,0|0,0,2]=4 746 B12R1.308 CCOC(=O)c1ccccc1[Zn+] H58721 [0,2,0,0,0,0|0,0,2]=4 747 B12R1.5 CCC(=O)c1ccc(cc1)OC A14619 [0,2,0,0,0,0|0,0,2]=4 748 B12R1.20 CC(C(=O)c1ccc(cc1)F)Br H61338 [0,2,0,0,0,0|0,0,2]=4 749 B12R1.20 CC(C)C(=O)c1ccc(cc1)F H26036 [0,2,0,0,0,0|0,0,2]=4 750 B12R1.20 Cc1ccc(cc1)C(=O)C(C)Br H64881 [0,2,0,0,0,0|0,0,2]=4 751 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)O H25953 [0,2,0,0,0,0|1,0,1]=4 752 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br A12978 [0,2,0,0,0,0|1,0,1]=4 753 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl B24264 [0,2,0,0,0,0|1,0,1]=4 754 B12R1.20 c1cc(ccc1C(C(=O)O)O)F A13391 [0,2,0,0,0,0|1,0,1]=4 755 B12R1.20 c1cc(ccc1C(C(=O)O)O)O L05916 [0,2,0,0,0,0|1,0,1]=4 756 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F B25429 [0,2,0,0,0,0|0,0,2]=4 757 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl A18740 [0,2,0,0,0,0|0,0,2]=4 758 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl H31529 [0,2,0,0,0,0|0,0,2]=4 759 B12R1.367 CCC(=O)c1ccc(c(c1)F)F A17257 [0,2,0,0,0,0|0,0,2]=4 760 B12R1.367 CCC(=O)c1ccc(c(c1)O)O A13444 [0,2,0,0,0,0|0,0,2]=4 761 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O L08087 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl A11252 [0,2,0,0,0,0|0,0,2]=4 763 B12R1.1703 CCC(=O)c1ccc(cc1F)F A12032 [0,2,0,0,0,0|0,0,2]=4 764 B12R1.1703 CCC(=O)c1ccc(cc1O)O B23414 [0,2,0,0,0,0|0,0,2]=4 765 B12R1.24 CCC(=O)c1cccc(c1F)F B20032 [0,2,0,0,0,0|0,0,2]=4 766 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Br H64999 [0,2,0,0,0,0|0,0,2]=4 767 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)O B24937 [0,2,0,0,0,0|1,0,1]=4 768 B12R1.354 CCC(=O)c1cc(ccc1F)F B20801 [0,2,0,0,0,0|0,0,2]=4 769 B12R1.354 CCC(=O)c1cc(ccc1O)O A12912 [0,2,0,0,0,0|0,0,2]=4 770 B12R1.358 CCC(=O)c1cc(cc(c1)F)F B20150 [0,2,0,0,0,0|0,0,2]=4 771 B12R1.358 CCC(c1cc(cc(c1)F)F)O H32058 [0,2,0,0,0,0|0,0,0]=2 772 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Cl B21525 [0,2,0,0,0,0|1,0,1]=4 773 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)F B25689 [0,2,0,0,0,0|1,0,1]=4 774 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl H61152 [0,2,0,0,0,0|1,0,1]=4 775 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)O)Cl L19586 [0,2,0,0,0,0|1,0,1]=4 776 B12R1.564 CC(C)(C)C(=O)c1ccccc1 L08729 [0,2,0,0,0,0|0,0,2]=4 777 B12R1.564 c1ccc(cc1)C(C(Cl)(Cl)Cl)O L06694 [0,2,0,0,0,0|1,0,0]=3 778 B12R1.564 c1ccc(cc1)C(C(F)(F)F)O B21235 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.3441 CCC(=O)c1c(cccc1F)F B20097 [0,2,0,0,0,0|0,0,2]=4 780 B10R2.6 c1ccc(cc1)C2CO2 L07821 [1,0,0,1,0,0|0,0,0]=2 781 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [1,0,0,1,0,0|0,0,0]=2 782 B10R2.7 c1cc2c(nc1)CCC2 H25896 [1,0,0,1,0,0|1,0,0]=3 783 B10R2.7 c1cc2c(nc1)NCC2 H64551 [1,0,0,1,0,0|2,0,0]=4 784 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,1,0,0|0,0,2]=4 785 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,1,0,0|0,0,2]=4 786 B10R2.7 c1ccc2c(c1)CCC2 B21442 [1,0,0,1,0,0|0,0,0]=2 787 B10R2.7 c1ccc2c(c1)CCN2 A11000 [1,0,0,1,0,0|1,0,0]=3 788 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,1,0,0|1,0,0]=3 789 B10R2.7 c1ccc2c(c1)CNC2 H63012 [1,0,0,1,0,0|1,0,0]=3 790 B10R2.7 c1ccc2c(c1)COC2 45592 [1,0,0,1,0,0|1,0,0]=3 791 B10R2.7 c1ccc2c(c1)COC2 A10217 [1,0,0,1,0,0|1,0,0]=3 792 B10R2.7 c1ccc2c(c1)OCO2 A14192 [1,0,0,1,0,0|2,0,0]=4 793 B12R2.18 CC1c2ccccc2NC1=O H27662 [0,0,0,1,0,1|0,0,2]=4 794 B12R2.18 c1ccc2c(c1)CC(C2O)Br A13511 [0,0,0,1,0,1|2,0,0]=4 795 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O H32066 [0,0,0,1,0,1|1,0,0]=3 796 B12R2.24 CC1CNc2ccccc2O1 H61002 [0,0,0,1,0,1|2,0,0]=4 797 B12R2.24 CC1CNc2ccccc2S1 H61005 [0,0,0,1,0,1|2,0,0]=4 798 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,0,0,1,0,1|0,0,2]=4 799 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,0,0,1,0,1|0,0,2]=4 800 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [0,0,0,1,0,1|0,0,2]=4 801 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [0,0,0,1,0,1|1,0,0]=3 802 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [0,0,0,1,0,1|1,0,1]=4 803 B12R2.32 CC[n+]1cc2ccccc2o1 B23794 [0,0,0,1,0,1|1,0,0]=3 804 B12R2.32 c1ccc2c(c1)CC(C2)CN H66610 [0,0,0,1,0,1|2,0,0]=4 805 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO H27711 [0,0,0,1,0,1|2,0,0]=4 806 B12R2.1 CC[n+]1csc2c1cccc2 L08903 [0,1,0,1,0,0|1,1,0]=4 807 B12R2.2 c1cc(cnc1)C2CCCN2 L10809 [0,1,0,1,0,0|2,0,0]=4 808 B12R2.2 c1cc(cnc1)C2NCCS2 H62079 [0,1,0,1,0,0|1,1,0]=4 809 B12R2.2 c1ccc(cc1)C2=NCCN2 H59095 [0,1,0,1,0,0|1,0,1]=4 810 B12R2.2 c1ccc(cc1)C2NCCS2 H62823 [0,1,0,1,0,0|0,1,0]=3 811 B12R2.2 c1ccc(cc1)N2CCCC2 L05239 [0,1,0,1,0,0|2,0,0]=4 812 B12R2.2 c1ccnc(c1)C2CCCN2 H50176 [0,1,0,1,0,0|2,0,0]=4 813 B12R2.2 c1ccnc(c1)C2NCCS2 H62437 [0,1,0,1,0,0|1,1,0]=4 814 B12R2.2 c1cnccc1C2CCCN2 H26051 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.1081 B1(c2ccccc2CCO1)O H52672 [0,1,0,1,0,0|1,0,0]=3 816 B12R2.1081 CC1c2ccccc2CCN1 H64191 [0,1,0,1,0,0|1,0,0]=3 817 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 A11242 [0,1,0,1,0,0|0,0,2]=4 818 B12R2.1081 c1ccc2c(c1)C(CCO2)O A14940 [0,1,0,1,0,0|0,0,0]=2 819 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [0,1,0,1,0,0|0,0,2]=4 820 B12R2.1081 c1ccc2c(c1)CCCC2N B25673 [0,1,0,1,0,0|1,0,0]=3 821 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N L17022 [0,1,0,1,0,0|1,0,0]=3 822 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N L17021 [0,1,0,1,0,0|1,0,0]=3 823 B12R2.1081 c1ccc2c(c1)COCC2=O H61539 [0,1,0,1,0,0|0,0,2]=4 824 B12R2.1081 c1ccc2c(c1)CSCC2=O L07948 [0,1,0,1,0,0|0,0,2]=4 825 B12R2.2075 c1ccc(cc1)C(=O)C2CC2 L02218 [0,1,0,1,0,0|0,0,2]=4 826 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,1,0,1,0,0|0,0,2]=4 827 B12R2.612 c1cc2c(cc1Br)CCC2=O B25707 [0,1,0,1,0,0|0,0,2]=4 828 B12R2.612 c1cc2c(cc1Cl)CCC2=O A18308 [0,1,0,1,0,0|0,0,2]=4 829 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [0,1,0,1,0,0|0,0,2]=4 830 B12R2.612 c1cc2c(cc1N)CCC2=O H66425 [0,1,0,1,0,0|0,0,2]=4 831 B12R2.132 B1(c2cc(ccc2CO1)N)O H52629 [0,1,0,1,0,0|2,0,0]=4 832 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 L17559 [0,1,0,1,0,0|0,0,2]=4 833 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 H54003 [0,1,0,1,0,0|0,0,2]=4 834 B12R2.132 c1cc2c(cc1F)C(=O)CC2 L17095 [0,1,0,1,0,0|0,0,2]=4 835 B12R2.196 c1cc2c(c(c1)Br)CCC2=O H56937 [0,1,0,1,0,0|0,0,2]=4 836 B12R2.196 c1cc2c(c(c1)F)CCC2=O H59356 [0,1,0,1,0,0|0,0,2]=4 837 B12R2.196 c1cc2c(c(c1)O)CCC2=O H56184 [0,1,0,1,0,0|0,0,2]=4 838 B12R2.92 CC1(CC1c2ccccc2)C B21271 [0,1,0,1,0,0|1,0,0]=3 839 B12R2.92 c1ccc(cc1)C2CC2(Cl)Cl A12279 [0,1,0,1,0,0|2,0,0]=4 840 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 H66850 [0,1,0,1,0,0|0,0,2]=4 841 B8R1.7 CC(=C1C=CC=C1)C B21826 [1,0,0,0,1,0|1,0,1]=4 842 B8R1.7 CC(C1=CCC=C1)O L19681 [1,0,0,0,1,0|0,0,1]=3 843 B8R1.7 CC(c1cccs1)N H26052 [1,0,0,0,1,0|2,0,0]=4 844 B8R1.7 C[C@@H](C1=CCC=C1)O L19683 [1,0,0,0,1,0|0,0,1]=3 845 B8R1.7 C[C@H](C1=CCC=C1)O L19682 [1,0,0,0,1,0|0,0,1]=3 846 B8R1.7 C[C@H](c1cccs1)O H26936 [1,0,0,0,1,0|1,0,0]=3 847 B8R1.8 CCCc1ccco1 B21703 [1,0,0,0,1,0|1,0,0]=3 848 B8R1.8 CCCc1cccs1 L03052 [1,0,0,0,1,0|1,0,0]=3 849 B8R1.8 CCCc1nccs1 A11574 [1,0,0,0,1,0|2,0,0]=4 850 B8R1.8 CSCc1ccco1 B21691 [1,0,0,0,1,0|2,0,0]=4 851 B8R1.8 c1cc(sc1)CCN A10920 [1,0,0,0,1,0|2,0,0]=4 852 B8R1.8 c1cc(sc1)CCO B21562 [1,0,0,0,1,0|2,0,0]=4 853 B8R1.8 c1cscc1CCO L15138 [1,0,0,0,1,0|2,0,0]=4 854 B12R1.27 CCC(=O)OCc1ccccc1 B23186 [0,0,0,0,0,2|0,0,2]=4 855 B12R1.27 CCC(C#Cc1ccccc1)O H53416 [0,0,0,0,0,2|0,0,0]=2 856 B12R1.27 c1ccc(cc1)OCC(CN)O H50245 [0,0,0,0,0,2|1,0,0]=3 857 B12R1.27 c1ccc(cc1)OCC(CO)O B25701 [0,0,0,0,0,2|1,0,0]=3