0 B11R1.166 B(c1ccc(cc1C)C)(O)O B23076 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.166 B(c1ccc(cc1Cl)C)(O)O H28604 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.166 B(c1ccc(cc1F)C)(O)O H53265 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.166 B(c1ccc(cc1O)F)(O)O H53304 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.166 CC(=O)c1ccc(cc1Br)Br H61181 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.166 CC(=O)c1ccc(cc1Br)F L19320 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl A14428 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.166 CC(=O)c1ccc(cc1Cl)F L19880 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 CC(=O)c1ccc(cc1F)Br H62127 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 CC(=O)c1ccc(cc1F)F A13420 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.166 CC(=O)c1ccc(cc1F)O A19884 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.166 CC(=O)c1ccc(cc1O)Br H61137 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.166 CC(=O)c1ccc(cc1O)Cl H27309 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.166 CC(=O)c1ccc(cc1O)F A16030 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.166 CC(=O)c1ccc(cc1O)O A12066 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.166 CC(c1ccc(cc1Cl)F)O H31958 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.166 Cc1cc(c(cn1)C(=O)O)O H66499 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.166 Cc1cc(ccc1C(=O)C)F H26823 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.166 Cc1cc(ccc1C(C)C)N A19754 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.166 Cc1ccc(c(c1)C)C(=O)C A12992 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl H50387 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.166 Cc1ccc(c(c1)C)C(C)O H32141 [0,0,0,0,0,0|2,0,0]=2 24 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] A16776 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.166 Cc1ccc(c(c1)F)C(=O)C H26695 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.166 Cc1ccc(c(c1)F)C(=O)Cl H31292 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] A10840 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] L07852 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.166 Cc1ccc(c(c1)O)C(C)C A14563 [0,0,0,0,0,0|0,0,0]=0 32 B11R1.166 Cc1ccc(c(c1)O)[N+](=O)[O-] A11729 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.166 Cc1ccc(c(n1)O)C(=O)O A11842 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.166 Cc1ccc(c(n1)O)C(=S)N H52239 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] H64966 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O B22520 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.166 c1cc(c(cc1F)O)C(=O)O B24992 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] A12568 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.166 c1cc(c(cc1N)O)C(=O)O B23289 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.166 c1cc(c(cc1O)O)C(=O)O A13545 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.13 B(c1ccc(cc1)C)(O)O A13347 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [1,0,0,0,0,0|1,0,2]=4 43 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [1,0,0,0,0,0|1,0,2]=4 44 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.13 CC(C)c1ccc(cc1)I B25476 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.13 CC(C)c1ccc(cc1)N A14646 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.13 CC(C)c1ccc(cc1)O B22620 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.13 CC(C)c1ccc(cc1)S A16038 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [1,0,0,0,0,0|1,0,0]=2 56 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.13 CC(c1ccc(cc1)F)N L04575 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.13 CC(c1ccc(cc1)F)O B22097 [1,0,0,0,0,0|2,0,0]=3 61 B10R1.13 CC(c1ccc(cc1)N)O L03341 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.13 CC(c1ccc(cc1)O)N H63700 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.13 CN(C)c1ccc(cc1)N A10343 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.13 CN(C)c1ccc(cc1)N A14175 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.13 CN(C)c1ccc(cc1)N A15962 [1,0,0,0,0,0|2,0,0]=3 67 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [1,0,0,0,0,0|2,0,0]=3 73 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [1,0,0,0,0,0|0,0,2]=3 77 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [1,0,0,0,0,0|2,0,1]=4 79 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [1,0,0,0,0,0|0,0,0]=1 83 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [1,0,0,0,0,0|1,0,0]=2 85 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [1,0,0,0,0,0|1,0,0]=2 87 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.13 c1cc(ccc1C(F)F)Br H33941 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.13 c1cc(ccc1C(F)F)Cl H34035 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.25 CCc1c(nc(cn1)C)C H27383 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.25 CCc1ccc(cc1O)O B21575 [1,0,0,0,0,0|1,0,0]=2 94 B10R1.25 CCc1ccc(nc1N)C A19048 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.25 CNc1ccc(cc1F)F A15778 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.25 COc1ccc(cc1Br)Br A16200 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.25 COc1ccc(cc1Br)F A11040 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.25 COc1ccc(cc1Cl)Cl B20042 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.25 COc1ccc(cc1Cl)F B25136 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.25 COc1ccc(cc1F)Br A10948 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.25 COc1ccc(cc1F)F B21509 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.25 COc1ccc(cc1F)N A18606 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.25 COc1ccc(cc1F)[Mg+] H54027 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.25 COc1ccc(cc1I)Cl A13840 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.25 COc1ccc(cc1N)Br B25693 [1,0,0,0,0,0|3,0,0]=4 106 B10R1.25 COc1ccc(cc1N)Cl A12887 [1,0,0,0,0,0|3,0,0]=4 107 B10R1.25 COc1ccc(cc1N)Cl A14244 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.25 COc1ccc(cc1N)F H32525 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.25 COc1ccc(cc1N)I B25557 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.25 COc1ccc(cc1O)N L10234 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.25 COc1ccc(cc1[Mg+])Cl H54501 [1,0,0,0,0,0|3,0,0]=4 112 B10R1.25 COc1ccc(cc1[Mg+])F H54083 [1,0,0,0,0,0|3,0,0]=4 113 B10R1.25 COc1ccc(cc1[Zn+])Cl H58435 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.25 Cc1cc(ccc1CBr)F H26849 [1,0,0,0,0,0|3,0,0]=4 115 B10R1.25 Cc1cc(ccc1CN)F H26624 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.25 Cc1cc(ccc1CO)Cl H27554 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.25 Cc1cc(ccc1CO)F H32364 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.25 Cc1cc(ccc1OC)Br B21621 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.25 Cc1cc(ccc1OC)Cl B24261 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.25 Cc1cc(ccc1OC)F A16031 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.25 Cc1cc(ccc1SC)O L07353 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.25 Cc1ccc(c(c1)Br)C=O H27558 [1,0,0,0,0,0|2,0,1]=4 123 B10R1.25 Cc1ccc(c(c1)C)C=C A14286 [1,0,0,0,0,0|1,0,2]=4 124 B10R1.25 Cc1ccc(c(c1)C)C=O A14655 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.25 Cc1ccc(c(c1)C)CCl L02810 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.25 Cc1ccc(c(c1)C)CO L02899 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.25 Cc1ccc(c(c1)C)NN B21009 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.25 Cc1ccc(c(c1)F)C#N H26415 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.25 Cc1ccc(c(c1)F)C=O H26626 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.25 Cc1ccc(c(c1)F)CBr H26440 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.25 Cc1ccc(c(c1)F)CN H26267 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.25 Cc1ccc(c(c1)F)OC H26194 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.25 Cc1ccc(c(c1)N)C#N 43260 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.25 Cc1ccc(c(c1)O)C=O H33909 [1,0,0,0,0,0|1,0,1]=3 135 B10R1.25 Cc1ccc(c(c1)O)OC L09044 [1,0,0,0,0,0|1,0,0]=2 136 B10R1.25 c1cc(c(cc1Br)Br)CO H64741 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.25 c1cc(c(cc1Br)F)CBr B21331 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.25 c1cc(c(cc1Br)F)CCl L18680 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.25 c1cc(c(cc1Br)F)CN A15654 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.25 c1cc(c(cc1Br)F)CO L18679 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.25 c1cc(c(cc1Br)F)C[Mg+] H54540 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.25 c1cc(c(cc1Br)F)C[Zn+] H58746 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.25 c1cc(c(cc1Br)O)C=O H54850 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.25 c1cc(c(cc1Cl)Cl)CCl A11435 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.25 c1cc(c(cc1Cl)Cl)CN A13207 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.25 c1cc(c(cc1Cl)Cl)CO A13338 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.25 c1cc(c(cc1Cl)Cl)CS B24999 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.25 c1cc(c(cc1Cl)Cl)C[Mg+] H54159 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.25 c1cc(c(cc1Cl)F)CBr H26814 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.25 c1cc(c(cc1Cl)F)CN H26352 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.25 c1cc(c(cc1Cl)F)CN L13488 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.25 c1cc(c(cc1Cl)F)C[Mg+] H54480 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.25 c1cc(c(cc1F)Br)CBr H62157 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.25 c1cc(c(cc1F)Br)CN H62200 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.25 c1cc(c(cc1F)Br)CO H61850 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.25 c1cc(c(cc1F)Cl)CBr B23565 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.25 c1cc(c(cc1F)Cl)CCl L13850 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.25 c1cc(c(cc1F)Cl)CN L12957 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.25 c1cc(c(cc1F)Cl)C[Mg+] H54799 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.25 c1cc(c(cc1F)F)CBr A15213 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.25 c1cc(c(cc1F)F)CCl H26783 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.25 c1cc(c(cc1F)F)CN B20985 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.25 c1cc(c(cc1F)F)CO A19945 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.25 c1cc(c(cc1F)F)C[Mg+] H54966 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.25 c1cc(c(cc1F)F)C[Zn+] H58036 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.25 c1cc(c(cc1F)O)C=O H26149 [1,0,0,0,0,0|2,0,1]=4 167 B10R1.25 c1cc(c(cc1O)O)C=O A12868 [1,0,0,0,0,0|2,0,1]=4 168 B10R1.61 B(c1ccccc1O)(O)O L19400 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.61 CC(=O)c1ccccc1Br A11982 [1,0,0,0,0,0|2,0,1]=4 170 B10R1.61 CC(=O)c1ccccc1Cl A15232 [1,0,0,0,0,0|2,0,1]=4 171 B10R1.61 CC(=O)c1ccccc1F A15128 [1,0,0,0,0,0|2,0,1]=4 172 B10R1.61 CC(=O)c1ccccc1I B25345 [1,0,0,0,0,0|2,0,1]=4 173 B10R1.61 CC(=O)c1ccccc1N A10895 [1,0,0,0,0,0|2,0,1]=4 174 B10R1.61 CC(=O)c1ccccc1O A12550 [1,0,0,0,0,0|1,0,1]=3 175 B10R1.61 CC(C)c1ccccc1Br L00941 [1,0,0,0,0,0|1,0,0]=2 176 B10R1.61 CC(C)c1ccccc1I L01533 [1,0,0,0,0,0|1,0,0]=2 177 B10R1.61 CC(C)c1ccccc1N A14671 [1,0,0,0,0,0|1,0,0]=2 178 B10R1.61 CC(C)c1ccccc1O A12027 [1,0,0,0,0,0|0,0,0]=1 179 B10R1.61 CC(c1ccccc1Cl)O B24800 [1,0,0,0,0,0|2,0,0]=3 180 B10R1.61 CC(c1ccccc1F)O H31900 [1,0,0,0,0,0|2,0,0]=3 181 B10R1.61 CN(C)c1ccccc1Br B25564 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [1,0,0,0,0,0|2,0,0]=3 183 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [1,0,0,0,0,0|2,0,0]=3 184 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.61 Cc1ccccc1C(=C)C H26073 [1,0,0,0,0,0|1,0,2]=4 186 B10R1.61 Cc1ccccc1C(=O)C A11695 [1,0,0,0,0,0|2,0,1]=4 187 B10R1.61 Cc1ccccc1C(C)O L08065 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [1,0,0,0,0,0|2,0,1]=4 189 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [1,0,0,0,0,0|2,0,1]=4 190 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [1,0,0,0,0,0|2,0,1]=4 191 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 18585 [1,0,0,0,0,0|2,0,1]=4 192 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39356 [1,0,0,0,0,0|2,0,1]=4 193 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39379 [1,0,0,0,0,0|2,0,1]=4 194 B10R1.61 c1ccc(c(c1)C(=O)[O-])O A17056 [1,0,0,0,0,0|2,0,1]=4 195 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F L03984 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.61 c1ccc(c(c1)C(F)F)F H33688 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A12333 [1,0,0,0,0,0|3,0,0]=4 198 B12R1.57 CC(=O)c1ccc(cc1OC)F L09862 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.126 Cc1ccc(c(c1)Cl)C(F)(F)F B23480 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.126 Cc1ccc(c(c1)F)C(F)(F)F H32396 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.126 Cc1ccc(c(c1)N)C(F)(F)F H64407 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.126 c1cc(c(cc1F)O)C(F)(F)F H32445 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.232 Cc1cc(c(cc1Br)O)C(=O)C H29125 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C A10614 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C H50685 [0,1,0,0,0,0|1,0,1]=3 206 B12R1.232 Cc1cc(c(cc1Cl)C(C)C)O B21906 [0,1,0,0,0,0|0,0,0]=1 207 B12R1.232 Cc1cc(c(cc1N)C(C)C)O L16282 [0,1,0,0,0,0|0,0,0]=1 208 B12R1.452 CC(=O)c1ccc(cc1F)OC A16891 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.452 CC(=O)c1ccc(cc1O)OC B22173 [0,1,0,0,0,0|1,0,1]=3 210 B12R1.452 COc1ccc(c(c1)O)C(=O)O H55345 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.893 CC(=O)c1ccc(c(c1O)O)O A14364 [0,1,0,0,0,0|2,0,1]=4 212 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O B20272 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C H26388 [0,1,0,0,0,0|2,0,1]=4 214 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O L04156 [0,1,0,0,0,0|2,0,1]=4 215 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)C)C A11549 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C A10561 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.1000 Cc1cc(cc(c1N(C)C)C)Br H50584 [0,1,0,0,0,0|3,0,0]=4 218 B12R1.1703 CCC(=O)c1ccc(cc1O)O B23414 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.1703 COC(=O)c1ccc(cc1O)F L17846 [0,1,0,0,0,0|2,0,1]=4 220 B12R1.1703 COC(=O)c1ccc(cc1O)I B25438 [0,1,0,0,0,0|2,0,1]=4 221 B12R1.1703 COC(=O)c1ccc(cc1O)N 45520 [0,1,0,0,0,0|2,0,1]=4 222 B12R1.1703 COC(=O)c1ccc(cc1O)O B24757 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC H63144 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC H64793 [0,1,0,0,0,0|1,0,1]=3 225 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,0,0,1,0,0|2,0,1]=4 226 B12R2.612 c1cc2c(cc1O)OCC2=O L10951 [0,0,0,1,0,0|2,0,1]=4 227 B10R1.59 Cc1cc(n(n1)C(C)C)N H66742 [0,0,0,0,1,0|3,0,0]=4 228 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C B22213 [0,0,0,0,0,1|2,0,1]=4 229 B12R1.233 Cc1ccc(c(c1)C)NC(=O)C H55605 [0,0,0,0,0,1|2,0,1]=4 230 B12R1.233 Cc1ccc(c(c1)O)NC(=O)C H66423 [0,0,0,0,0,1|1,0,1]=3 231 B9R1.1 CCc1ccc(cc1)Br A13013 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.1 CCc1ccc(cc1)C L02120 [2,0,0,0,0,0|0,0,0]=2 233 B9R1.1 CCc1ccc(cc1)Cl L07931 [2,0,0,0,0,0|1,0,0]=3 234 B9R1.1 CCc1ccc(cc1)F L05940 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.1 CCc1ccc(cc1)I A14138 [2,0,0,0,0,0|1,0,0]=3 236 B9R1.1 CCc1ccc(cc1)N B24652 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.1 CCc1ccc(cc1)O B23433 [2,0,0,0,0,0|1,0,0]=3 238 B9R1.1 CCc1ccc(cc1)S B25026 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [2,0,0,0,0,0|1,0,0]=3 240 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [2,0,0,0,0,0|1,0,0]=3 241 B9R1.1 CCc1ccc(nc1)C L06901 [2,0,0,0,0,0|1,0,0]=3 242 B9R1.1 CNc1ccc(cc1)Br H55273 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.1 CNc1ccc(cc1)Cl B23962 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.1 CNc1ccc(cc1)F H55105 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.1 CNc1ccc(cc1)O 36674 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.1 CNc1ccc(cc1)O A16236 [2,0,0,0,0,0|2,0,0]=4 247 B9R1.1 COc1ccc(cc1)Br A11824 [2,0,0,0,0,0|2,0,0]=4 248 B9R1.1 COc1ccc(cc1)Cl A11377 [2,0,0,0,0,0|2,0,0]=4 249 B9R1.1 COc1ccc(cc1)F B23048 [2,0,0,0,0,0|2,0,0]=4 250 B9R1.1 COc1ccc(cc1)I A12144 [2,0,0,0,0,0|2,0,0]=4 251 B9R1.1 COc1ccc(cc1)N A10946 [2,0,0,0,0,0|2,0,0]=4 252 B9R1.1 COc1ccc(cc1)O A14845 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.1 COc1ccc(cc1)O B23530 [2,0,0,0,0,0|2,0,0]=4 254 B9R1.1 COc1ccc(cc1)S A16009 [2,0,0,0,0,0|2,0,0]=4 255 B9R1.1 COc1ccc(cc1)[Mg+] 89435 [2,0,0,0,0,0|2,0,0]=4 256 B9R1.1 COc1ccc(cc1)[Mg+] H54317 [2,0,0,0,0,0|2,0,0]=4 257 B9R1.1 COc1ccc(cc1)[Mg+] H55397 [2,0,0,0,0,0|2,0,0]=4 258 B9R1.1 COc1ccc(cc1)[Zn+] H58690 [2,0,0,0,0,0|2,0,0]=4 259 B9R1.1 CSc1ccc(cc1)Br A15504 [2,0,0,0,0,0|2,0,0]=4 260 B9R1.1 CSc1ccc(cc1)Cl A11025 [2,0,0,0,0,0|2,0,0]=4 261 B9R1.1 CSc1ccc(cc1)F L04979 [2,0,0,0,0,0|2,0,0]=4 262 B9R1.1 CSc1ccc(cc1)N L04950 [2,0,0,0,0,0|2,0,0]=4 263 B9R1.1 CSc1ccc(cc1)O H26225 [2,0,0,0,0,0|2,0,0]=4 264 B9R1.1 CSc1ccc(cc1)S L09580 [2,0,0,0,0,0|2,0,0]=4 265 B9R1.1 CSc1ccc(cc1)[Zn+] H58137 [2,0,0,0,0,0|2,0,0]=4 266 B9R1.1 Cc1ccc(cc1)C#C B24812 [2,0,0,0,0,0|0,0,2]=4 267 B9R1.1 Cc1ccc(cc1)C#N B23029 [2,0,0,0,0,0|1,0,1]=4 268 B9R1.1 Cc1ccc(cc1)C=C L01480 [2,0,0,0,0,0|0,0,2]=4 269 B9R1.1 Cc1ccc(cc1)C=O A11384 [2,0,0,0,0,0|1,0,1]=4 270 B9R1.1 Cc1ccc(cc1)CBr A13297 [2,0,0,0,0,0|1,0,0]=3 271 B9R1.1 Cc1ccc(cc1)CCl A17183 [2,0,0,0,0,0|1,0,0]=3 272 B9R1.1 Cc1ccc(cc1)CN A13768 [2,0,0,0,0,0|1,0,0]=3 273 B9R1.1 Cc1ccc(cc1)CO A15315 [2,0,0,0,0,0|1,0,0]=3 274 B9R1.1 Cc1ccc(cc1)CS A10467 [2,0,0,0,0,0|1,0,0]=3 275 B9R1.1 Cc1ccc(cc1)C[Mg+] H54505 [2,0,0,0,0,0|1,0,0]=3 276 B9R1.1 Cc1ccc(cc1)NN A14220 [2,0,0,0,0,0|2,0,0]=4 277 B9R1.1 Cc1ccc(cc1)OC A11572 [2,0,0,0,0,0|1,0,0]=3 278 B9R1.1 Cc1ccc(cc1)SC L02933 [2,0,0,0,0,0|1,0,0]=3 279 B9R1.1 c1cc(ccc1CBr)Br A10892 [2,0,0,0,0,0|2,0,0]=4 280 B9R1.1 c1cc(ccc1CBr)Cl B22858 [2,0,0,0,0,0|2,0,0]=4 281 B9R1.1 c1cc(ccc1CBr)F A10208 [2,0,0,0,0,0|2,0,0]=4 282 B9R1.1 c1cc(ccc1CBr)I A18200 [2,0,0,0,0,0|2,0,0]=4 283 B9R1.1 c1cc(ccc1CCl)Br L11486 [2,0,0,0,0,0|2,0,0]=4 284 B9R1.1 c1cc(ccc1CCl)Cl A14696 [2,0,0,0,0,0|2,0,0]=4 285 B9R1.1 c1cc(ccc1CCl)F A14686 [2,0,0,0,0,0|2,0,0]=4 286 B9R1.1 c1cc(ccc1CN)Br A10979 [2,0,0,0,0,0|2,0,0]=4 287 B9R1.1 c1cc(ccc1CN)Cl A13984 [2,0,0,0,0,0|2,0,0]=4 288 B9R1.1 c1cc(ccc1CN)F A15486 [2,0,0,0,0,0|2,0,0]=4 289 B9R1.1 c1cc(ccc1CN)I L17450 [2,0,0,0,0,0|2,0,0]=4 290 B9R1.1 c1cc(ccc1CN)I L19967 [2,0,0,0,0,0|2,0,0]=4 291 B9R1.1 c1cc(ccc1CO)Br A13197 [2,0,0,0,0,0|2,0,0]=4 292 B9R1.1 c1cc(ccc1CO)Cl A11504 [2,0,0,0,0,0|2,0,0]=4 293 B9R1.1 c1cc(ccc1CO)F A12336 [2,0,0,0,0,0|2,0,0]=4 294 B9R1.1 c1cc(ccc1CO)I L19278 [2,0,0,0,0,0|2,0,0]=4 295 B9R1.1 c1cc(ccc1CO)N A14130 [2,0,0,0,0,0|2,0,0]=4 296 B9R1.1 c1cc(ccc1CO)O A13132 [2,0,0,0,0,0|2,0,0]=4 297 B9R1.1 c1cc(ccc1CS)Br H26299 [2,0,0,0,0,0|2,0,0]=4 298 B9R1.1 c1cc(ccc1CS)Cl A19876 [2,0,0,0,0,0|2,0,0]=4 299 B9R1.1 c1cc(ccc1CS)F A10126 [2,0,0,0,0,0|2,0,0]=4 300 B9R1.1 c1cc(ccc1C[Mg+])Br H60905 [2,0,0,0,0,0|2,0,0]=4 301 B9R1.1 c1cc(ccc1C[Mg+])Cl H54625 [2,0,0,0,0,0|2,0,0]=4 302 B9R1.1 c1cc(ccc1C[Mg+])F H54990 [2,0,0,0,0,0|2,0,0]=4 303 B9R1.1 c1cc(ccc1C[Zn+])Br H58662 [2,0,0,0,0,0|2,0,0]=4 304 B9R1.1 c1cc(ccc1C[Zn+])Cl H58532 [2,0,0,0,0,0|2,0,0]=4 305 B9R1.1 c1cc(ccc1C[Zn+])F H58847 [2,0,0,0,0,0|2,0,0]=4 306 B9R1.6 CC(=C)c1ccccc1 L03609 [2,0,0,0,0,0|0,0,2]=4 307 B9R1.6 CC(=O)c1ccccc1 A12727 [2,0,0,0,0,0|1,0,1]=4 308 B9R1.6 CC(C)c1ccccc1 A11864 [2,0,0,0,0,0|0,0,0]=2 309 B9R1.6 CC(C)c1cnccn1 A13891 [2,0,0,0,0,0|2,0,0]=4 310 B9R1.6 CC(c1ccccc1)Br A16839 [2,0,0,0,0,0|1,0,0]=3 311 B9R1.6 CC(c1ccccc1)N A15711 [2,0,0,0,0,0|1,0,0]=3 312 B9R1.6 CC(c1ccccc1)O A13837 [2,0,0,0,0,0|1,0,0]=3 313 B9R1.6 CC(c1ccccc1)S H26345 [2,0,0,0,0,0|1,0,0]=3 314 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [2,0,0,0,0,0|1,0,0]=3 315 B9R1.6 CC(c1ccccn1)N H26046 [2,0,0,0,0,0|2,0,0]=4 316 B9R1.6 CC(c1cccnc1)N H26047 [2,0,0,0,0,0|2,0,0]=4 317 B9R1.6 CC(c1ccncc1)N H50303 [2,0,0,0,0,0|2,0,0]=4 318 B9R1.6 CC(c1ccncc1)O H58711 [2,0,0,0,0,0|2,0,0]=4 319 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [2,0,0,0,0,0|2,0,0]=4 320 B9R1.6 CN(C)c1ccccc1 A11916 [2,0,0,0,0,0|1,0,0]=3 321 B9R1.6 CN(C)c1ccccn1 L02513 [2,0,0,0,0,0|2,0,0]=4 322 B9R1.6 CN(C)c1ccncc1 A13016 [2,0,0,0,0,0|2,0,0]=4 323 B9R1.6 CN(C)c1ccncc1 H51715 [2,0,0,0,0,0|2,0,0]=4 324 B9R1.6 CN(c1ccccc1)N B22440 [2,0,0,0,0,0|2,0,0]=4 325 B9R1.6 CP(C)c1ccccc1 A17975 [2,0,0,0,0,0|1,0,0]=3 326 B9R1.6 CS(=O)c1ccccc1 A15009 [2,0,0,0,0,0|2,0,0]=4 327 B9R1.6 C[C@@H](c1ccccc1)N A12632 [2,0,0,0,0,0|1,0,0]=3 328 B9R1.6 C[C@@H](c1ccccc1)N L19118 [2,0,0,0,0,0|1,0,0]=3 329 B9R1.6 C[C@@H](c1ccccc1)O B21188 [2,0,0,0,0,0|1,0,0]=3 330 B9R1.6 C[C@H](c1ccccc1)N A10967 [2,0,0,0,0,0|1,0,0]=3 331 B9R1.6 C[C@H](c1ccccc1)N L19117 [2,0,0,0,0,0|1,0,0]=3 332 B9R1.6 C[C@H](c1ccccc1)O L19296 [2,0,0,0,0,0|1,0,0]=3 333 B9R1.6 C[C@H](c1ccncc1)O H51033 [2,0,0,0,0,0|2,0,0]=4 334 B9R1.6 C[SiH](C)c1ccccc1 L04558 [2,0,0,0,0,0|0,1,0]=3 335 B9R1.15 CCc1ccccc1Br B23449 [2,0,0,0,0,0|1,0,0]=3 336 B9R1.15 CCc1ccccc1C L02028 [2,0,0,0,0,0|1,0,0]=3 337 B9R1.15 CCc1ccccc1I A14509 [2,0,0,0,0,0|1,0,0]=3 338 B9R1.15 CCc1ccccc1N A14984 [2,0,0,0,0,0|1,0,0]=3 339 B9R1.15 CCc1ccccc1O L01637 [2,0,0,0,0,0|0,0,0]=2 340 B9R1.15 CCc1ccccc1S L11498 [2,0,0,0,0,0|0,1,0]=3 341 B9R1.15 CCc1ccccc1[Zn+] H58221 [2,0,0,0,0,0|1,0,0]=3 342 B9R1.15 CCc1cnccc1C B21406 [2,0,0,0,0,0|2,0,0]=4 343 B9R1.15 CNc1ccccc1Br H55166 [2,0,0,0,0,0|2,0,0]=4 344 B9R1.15 CNc1ccccc1Cl A14343 [2,0,0,0,0,0|2,0,0]=4 345 B9R1.15 COc1ccccc1Br A11692 [2,0,0,0,0,0|2,0,0]=4 346 B9R1.15 COc1ccccc1Cl L06952 [2,0,0,0,0,0|2,0,0]=4 347 B9R1.15 COc1ccccc1F A12380 [2,0,0,0,0,0|2,0,0]=4 348 B9R1.15 COc1ccccc1I A10150 [2,0,0,0,0,0|2,0,0]=4 349 B9R1.15 COc1ccccc1N A10288 [2,0,0,0,0,0|2,0,0]=4 350 B9R1.15 COc1ccccc1O A16319 [2,0,0,0,0,0|1,0,0]=3 351 B9R1.15 COc1ccccc1S L09689 [2,0,0,0,0,0|1,1,0]=4 352 B9R1.15 COc1ccccc1[Mg+] H54579 [2,0,0,0,0,0|2,0,0]=4 353 B9R1.15 COc1ccccc1[Zn+] H58341 [2,0,0,0,0,0|2,0,0]=4 354 B9R1.15 CSc1ccccc1Br A13632 [2,0,0,0,0,0|2,0,0]=4 355 B9R1.15 CSc1ccccc1I A14051 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.15 CSc1ccccc1N A12762 [2,0,0,0,0,0|2,0,0]=4 357 B9R1.15 CSc1ccccc1O L10128 [2,0,0,0,0,0|1,0,0]=3 358 B9R1.15 Cc1ccccc1CBr B21717 [2,0,0,0,0,0|2,0,0]=4 359 B9R1.15 Cc1ccccc1CCl A13448 [2,0,0,0,0,0|2,0,0]=4 360 B9R1.15 Cc1ccccc1CN L05243 [2,0,0,0,0,0|2,0,0]=4 361 B9R1.15 Cc1ccccc1CO A12696 [2,0,0,0,0,0|2,0,0]=4 362 B9R1.15 Cc1ccccc1CS A15816 [2,0,0,0,0,0|2,0,0]=4 363 B9R1.15 Cc1ccccc1C[Mg+] H54170 [2,0,0,0,0,0|2,0,0]=4 364 B9R1.15 Cc1ccccc1OC A13897 [2,0,0,0,0,0|2,0,0]=4 365 B9R1.15 c1cc(c(nc1)CBr)O L19525 [2,0,0,0,0,0|2,0,0]=4 366 B9R1.15 c1ccc(c(c1)C#N)O A13606 [2,0,0,0,0,0|1,0,1]=4 367 B9R1.15 c1ccc(c(c1)C=O)O A13833 [2,0,0,0,0,0|1,0,1]=4 368 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [2,0,0,0,0,0|2,0,0]=4 369 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [2,0,0,0,0,0|2,0,0]=4 370 B9R1.15 c1ccc(c(c1)CBr)F A12692 [2,0,0,0,0,0|2,0,0]=4 371 B9R1.15 c1ccc(c(c1)CBr)I B21715 [2,0,0,0,0,0|2,0,0]=4 372 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [2,0,0,0,0,0|2,0,0]=4 373 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [2,0,0,0,0,0|2,0,0]=4 374 B9R1.15 c1ccc(c(c1)CCl)F A11566 [2,0,0,0,0,0|2,0,0]=4 375 B9R1.15 c1ccc(c(c1)CN)Br A12412 [2,0,0,0,0,0|2,0,0]=4 376 B9R1.15 c1ccc(c(c1)CN)Br A18151 [2,0,0,0,0,0|2,0,0]=4 377 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [2,0,0,0,0,0|2,0,0]=4 378 B9R1.15 c1ccc(c(c1)CN)F A15623 [2,0,0,0,0,0|2,0,0]=4 379 B9R1.15 c1ccc(c(c1)CO)Br A15700 [2,0,0,0,0,0|2,0,0]=4 380 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [2,0,0,0,0,0|2,0,0]=4 381 B9R1.15 c1ccc(c(c1)CO)F A14791 [2,0,0,0,0,0|2,0,0]=4 382 B9R1.15 c1ccc(c(c1)CO)I L15126 [2,0,0,0,0,0|2,0,0]=4 383 B9R1.15 c1ccc(c(c1)CO)N A13180 [2,0,0,0,0,0|2,0,0]=4 384 B9R1.15 c1ccc(c(c1)CO)O A14410 [2,0,0,0,0,0|1,0,0]=3 385 B9R1.15 c1ccc(c(c1)CO)S L11536 [2,0,0,0,0,0|1,1,0]=4 386 B9R1.15 c1ccc(c(c1)CS)Br H26247 [2,0,0,0,0,0|2,0,0]=4 387 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [2,0,0,0,0,0|2,0,0]=4 388 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [2,0,0,0,0,0|2,0,0]=4 389 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [2,0,0,0,0,0|2,0,0]=4 390 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [2,0,0,0,0,0|2,0,0]=4 391 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [2,0,0,0,0,0|2,0,0]=4 392 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [2,0,0,0,0,0|2,0,0]=4 393 B9R1.69 Cc1cc(c(nc1)C)C B23537 [2,0,0,0,0,0|2,0,0]=4 394 B9R1.69 Cc1ccc(c(c1)Br)Br A13351 [2,0,0,0,0,0|2,0,0]=4 395 B9R1.69 Cc1ccc(c(c1)Br)C A14358 [2,0,0,0,0,0|1,0,0]=3 396 B9R1.69 Cc1ccc(c(c1)Br)F B21523 [2,0,0,0,0,0|2,0,0]=4 397 B9R1.69 Cc1ccc(c(c1)Br)N A13818 [2,0,0,0,0,0|2,0,0]=4 398 B9R1.69 Cc1ccc(c(c1)Br)O B21701 [2,0,0,0,0,0|2,0,0]=4 399 B9R1.69 Cc1ccc(c(c1)C)Br A10212 [2,0,0,0,0,0|2,0,0]=4 400 B9R1.69 Cc1ccc(c(c1)C)C 12411 [2,0,0,0,0,0|1,0,0]=3 401 B9R1.69 Cc1ccc(c(c1)C)Cl B21275 [2,0,0,0,0,0|2,0,0]=4 402 B9R1.69 Cc1ccc(c(c1)C)I A16878 [2,0,0,0,0,0|2,0,0]=4 403 B9R1.69 Cc1ccc(c(c1)C)N L02744 [2,0,0,0,0,0|2,0,0]=4 404 B9R1.69 Cc1ccc(c(c1)C)O A11966 [2,0,0,0,0,0|2,0,0]=4 405 B9R1.69 Cc1ccc(c(c1)C)S B23161 [2,0,0,0,0,0|2,0,0]=4 406 B9R1.69 Cc1ccc(c(c1)C)[Mg+] H54134 [2,0,0,0,0,0|2,0,0]=4 407 B9R1.69 Cc1ccc(c(c1)C)[Zn+] H58149 [2,0,0,0,0,0|2,0,0]=4 408 B9R1.69 Cc1ccc(c(c1)Cl)Cl A10763 [2,0,0,0,0,0|2,0,0]=4 409 B9R1.69 Cc1ccc(c(c1)Cl)F H63822 [2,0,0,0,0,0|2,0,0]=4 410 B9R1.69 Cc1ccc(c(c1)Cl)N B22935 [2,0,0,0,0,0|2,0,0]=4 411 B9R1.69 Cc1ccc(c(c1)F)Br A19142 [2,0,0,0,0,0|2,0,0]=4 412 B9R1.69 Cc1ccc(c(c1)F)Cl H32272 [2,0,0,0,0,0|2,0,0]=4 413 B9R1.69 Cc1ccc(c(c1)F)F 41789 [2,0,0,0,0,0|2,0,0]=4 414 B9R1.69 Cc1ccc(c(c1)F)I H53491 [2,0,0,0,0,0|2,0,0]=4 415 B9R1.69 Cc1ccc(c(c1)F)N A16591 [2,0,0,0,0,0|2,0,0]=4 416 B9R1.69 Cc1ccc(c(c1)F)O H26138 [2,0,0,0,0,0|2,0,0]=4 417 B9R1.69 Cc1ccc(c(c1)I)C L01055 [2,0,0,0,0,0|1,0,0]=3 418 B9R1.69 Cc1ccc(c(c1)N)Br H61639 [2,0,0,0,0,0|2,0,0]=4 419 B9R1.69 Cc1ccc(c(c1)N)C A12682 [2,0,0,0,0,0|1,0,0]=3 420 B9R1.69 Cc1ccc(c(c1)N)Cl H26209 [2,0,0,0,0,0|2,0,0]=4 421 B9R1.69 Cc1ccc(c(c1)N)F L13411 [2,0,0,0,0,0|2,0,0]=4 422 B9R1.69 Cc1ccc(c(c1)N)N B24378 [2,0,0,0,0,0|2,0,0]=4 423 B9R1.69 Cc1ccc(c(c1)N)O A19546 [2,0,0,0,0,0|2,0,0]=4 424 B9R1.69 Cc1ccc(c(c1)O)C A17755 [2,0,0,0,0,0|0,0,0]=2 425 B9R1.69 Cc1ccc(c(c1)O)Cl L00816 [2,0,0,0,0,0|1,0,0]=3 426 B9R1.69 Cc1ccc(c(c1)O)F B20275 [2,0,0,0,0,0|1,0,0]=3 427 B9R1.69 Cc1ccc(c(c1)O)N B23560 [2,0,0,0,0,0|1,0,0]=3 428 B9R1.69 Cc1ccc(c(c1)O)O L04495 [2,0,0,0,0,0|1,0,0]=3 429 B9R1.69 Cc1ccc(c(c1)S)C B24164 [2,0,0,0,0,0|0,1,0]=3 430 B9R1.69 Cc1ccc(c(c1)S)S L15003 [2,0,0,0,0,0|1,1,0]=4 431 B9R1.69 Cc1ccc(c(c1)[Mg+])C H54073 [2,0,0,0,0,0|1,0,0]=3 432 B9R1.69 Cc1ccc(c(c1)[Zn+])C H58646 [2,0,0,0,0,0|1,0,0]=3 433 B9R1.69 Cc1ccc(cc1Br)Br H63869 [2,0,0,0,0,0|2,0,0]=4 434 B9R1.69 Cc1ccc(cc1Br)Cl B25329 [2,0,0,0,0,0|2,0,0]=4 435 B9R1.69 Cc1ccc(cc1Br)F A12792 [2,0,0,0,0,0|2,0,0]=4 436 B9R1.69 Cc1ccc(cc1Br)N B24670 [2,0,0,0,0,0|2,0,0]=4 437 B9R1.69 Cc1ccc(cc1Br)O H28689 [2,0,0,0,0,0|2,0,0]=4 438 B9R1.69 Cc1ccc(cc1C)Br A14736 [2,0,0,0,0,0|2,0,0]=4 439 B9R1.69 Cc1ccc(cc1C)Cl A19032 [2,0,0,0,0,0|2,0,0]=4 440 B9R1.69 Cc1ccc(cc1C)F A18253 [2,0,0,0,0,0|2,0,0]=4 441 B9R1.69 Cc1ccc(cc1C)I A13232 [2,0,0,0,0,0|2,0,0]=4 442 B9R1.69 Cc1ccc(cc1C)N A16928 [2,0,0,0,0,0|2,0,0]=4 443 B9R1.69 Cc1ccc(cc1C)O A10599 [2,0,0,0,0,0|2,0,0]=4 444 B9R1.69 Cc1ccc(cc1C)S B23168 [2,0,0,0,0,0|2,0,0]=4 445 B9R1.69 Cc1ccc(cc1C)[Mg+] H54346 [2,0,0,0,0,0|2,0,0]=4 446 B9R1.69 Cc1ccc(cc1C)[Zn+] H58165 [2,0,0,0,0,0|2,0,0]=4 447 B9R1.69 Cc1ccc(cc1Cl)Br B22293 [2,0,0,0,0,0|2,0,0]=4 448 B9R1.69 Cc1ccc(cc1Cl)Cl B24406 [2,0,0,0,0,0|2,0,0]=4 449 B9R1.69 Cc1ccc(cc1Cl)F B20278 [2,0,0,0,0,0|2,0,0]=4 450 B9R1.69 Cc1ccc(cc1Cl)I B20974 [2,0,0,0,0,0|2,0,0]=4 451 B9R1.69 Cc1ccc(cc1Cl)N A15439 [2,0,0,0,0,0|2,0,0]=4 452 B9R1.69 Cc1ccc(cc1Cl)N H31342 [2,0,0,0,0,0|2,0,0]=4 453 B9R1.69 Cc1ccc(cc1Cl)O H27385 [2,0,0,0,0,0|2,0,0]=4 454 B9R1.69 Cc1ccc(cc1Cl)[Mg+] H54075 [2,0,0,0,0,0|2,0,0]=4 455 B9R1.69 Cc1ccc(cc1F)Br A15891 [2,0,0,0,0,0|2,0,0]=4 456 B9R1.69 Cc1ccc(cc1F)Cl A14753 [2,0,0,0,0,0|2,0,0]=4 457 B9R1.69 Cc1ccc(cc1F)F A11667 [2,0,0,0,0,0|2,0,0]=4 458 B9R1.69 Cc1ccc(cc1F)I A12679 [2,0,0,0,0,0|2,0,0]=4 459 B9R1.69 Cc1ccc(cc1F)N A14484 [2,0,0,0,0,0|2,0,0]=4 460 B9R1.69 Cc1ccc(cc1F)O H31864 [2,0,0,0,0,0|2,0,0]=4 461 B9R1.69 Cc1ccc(cc1F)[Mg+] H54830 [2,0,0,0,0,0|2,0,0]=4 462 B9R1.69 Cc1ccc(cc1F)[Zn+] H58775 [2,0,0,0,0,0|2,0,0]=4 463 B9R1.69 Cc1ccc(cc1I)F L06833 [2,0,0,0,0,0|2,0,0]=4 464 B9R1.69 Cc1ccc(cc1I)N A11485 [2,0,0,0,0,0|2,0,0]=4 465 B9R1.69 Cc1ccc(cc1N)Cl B21392 [2,0,0,0,0,0|2,0,0]=4 466 B9R1.69 Cc1ccc(cc1N)F B25381 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.69 Cc1ccc(cc1N)I L07404 [2,0,0,0,0,0|2,0,0]=4 468 B9R1.69 Cc1ccc(cc1N)N B23495 [2,0,0,0,0,0|2,0,0]=4 469 B9R1.69 Cc1ccc(cc1O)Br H26956 [2,0,0,0,0,0|1,0,0]=3 470 B9R1.69 Cc1ccc(cc1O)Cl B25527 [2,0,0,0,0,0|1,0,0]=3 471 B9R1.69 Cc1ccc(cc1O)F B25606 [2,0,0,0,0,0|1,0,0]=3 472 B9R1.69 Cc1ccc(cc1O)N H66252 [2,0,0,0,0,0|1,0,0]=3 473 B9R1.69 Cc1ccc(cc1[Mg+])Cl H54415 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.69 Cc1ccc(cc1[Mg+])F H54234 [2,0,0,0,0,0|2,0,0]=4 475 B9R1.69 Cc1ccc(cc1[Zn+])F H58892 [2,0,0,0,0,0|2,0,0]=4 476 B9R1.69 c1cc(c(cc1Br)O)Cl B25452 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.69 c1cc(c(cc1Br)O)F H61518 [2,0,0,0,0,0|2,0,0]=4 478 B9R1.69 c1cc(c(cc1Cl)O)Cl B24787 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.69 c1cc(c(cc1Cl)O)N H64978 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.69 c1cc(c(cc1F)O)Br A15064 [2,0,0,0,0,0|2,0,0]=4 481 B9R1.69 c1cc(c(cc1F)O)Cl H28567 [2,0,0,0,0,0|2,0,0]=4 482 B9R1.69 c1cc(c(cc1F)O)F A18744 [2,0,0,0,0,0|2,0,0]=4 483 B9R1.69 c1cc(c(cc1F)O)N H32928 [2,0,0,0,0,0|2,0,0]=4 484 B9R1.69 c1cc(c(cc1N)O)Cl H66371 [2,0,0,0,0,0|2,0,0]=4 485 B9R1.69 c1cc(c(cc1N)O)F H33821 [2,0,0,0,0,0|2,0,0]=4 486 B9R1.69 c1cc(c(cc1O)O)Br H66087 [2,0,0,0,0,0|2,0,0]=4 487 B9R1.69 c1cc(c(cc1O)O)Cl B24076 [2,0,0,0,0,0|2,0,0]=4 488 B9R1.69 c1cc(c(cc1O)O)F H60426 [2,0,0,0,0,0|2,0,0]=4 489 B9R1.69 c1cc(c(cc1O)O)O A13069 [2,0,0,0,0,0|2,0,0]=4 490 B11R1.3 CC(=O)c1ccc(cc1)NC H55301 [1,1,0,0,0,0|1,0,1]=4 491 B11R1.3 CC(=O)c1ccc(cc1)OC A11162 [1,1,0,0,0,0|1,0,1]=4 492 B11R1.3 CC(=O)c1ccc(cc1)SC L18074 [1,1,0,0,0,0|1,0,1]=4 493 B11R1.3 CC(C)c1ccc(cc1)C#N A11954 [1,1,0,0,0,0|0,0,1]=3 494 B11R1.3 CC(C)c1ccc(cc1)C=O A14019 [1,1,0,0,0,0|0,0,1]=3 495 B11R1.3 CC(C)c1ccc(cc1)CCl L11839 [1,1,0,0,0,0|0,0,0]=2 496 B11R1.3 CC(C)c1ccc(cc1)CN H54044 [1,1,0,0,0,0|0,0,0]=2 497 B11R1.3 CC(C)c1ccc(cc1)CO A12172 [1,1,0,0,0,0|0,0,0]=2 498 B11R1.3 CC(C)c1ccc(cc1)NN A12416 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.3 CC(C)c1ccc(cc1)OC A16970 [1,1,0,0,0,0|0,0,0]=2 500 B11R1.3 CC(C)c1ccc(cc1)OO L06866 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.3 CC(c1ccc(cc1)OC)O L12062 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.3 CCc1ccc(cc1)C(=O)C B21557 [1,1,0,0,0,0|1,0,1]=4 503 B11R1.3 CN(C)c1ccc(cc1)C#N A13117 [1,1,0,0,0,0|1,0,1]=4 504 B11R1.3 CN(C)c1ccc(cc1)C=O 36684 [1,1,0,0,0,0|1,0,1]=4 505 B11R1.3 CN(C)c1ccc(cc1)C=O A11712 [1,1,0,0,0,0|1,0,1]=4 506 B11R1.3 CN(C)c1ccc(cc1)N=O A18301 [1,1,0,0,0,0|2,0,0]=4 507 B11R1.3 C[C@@H](c1ccc(cc1)OC)N L16322 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.3 C[C@H](c1ccc(cc1)OC)N L16321 [1,1,0,0,0,0|1,0,0]=3 509 B11R1.19 CC(C)(C)c1ccc(cc1)Br A15924 [1,1,0,0,0,0|1,0,0]=3 510 B11R1.19 CC(C)(C)c1ccc(cc1)I L11603 [1,1,0,0,0,0|1,0,0]=3 511 B11R1.19 CC(C)(C)c1ccc(cc1)N A10925 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.19 CC(C)(C)c1ccc(cc1)O A15871 [1,1,0,0,0,0|1,0,0]=3 513 B11R1.19 CC(C)(C)c1ccc(cc1)S A12148 [1,1,0,0,0,0|1,0,0]=3 514 B11R1.19 CC(C)(C)c1ccc(cc1)S H28235 [1,1,0,0,0,0|1,0,0]=3 515 B11R1.19 CC(C)(C)c1ccc(cc1)[Mg+] H54284 [1,1,0,0,0,0|1,0,0]=3 516 B11R1.19 CC(C)(c1ccc(cc1)Br)O H64919 [1,1,0,0,0,0|1,0,0]=3 517 B11R1.19 CC(C)(c1ccc(cc1)Cl)N H32527 [1,1,0,0,0,0|1,0,0]=3 518 B11R1.19 CC(C)(c1ccc(cc1)N)N H35819 [1,1,0,0,0,0|1,0,0]=3 519 B11R1.19 Cc1ccc(cc1)C(C)(C)C A18214 [1,1,0,0,0,0|0,0,0]=2 520 B11R1.19 Cc1ccc(cc1)C(C)(C)N H66232 [1,1,0,0,0,0|0,0,0]=2 521 B11R1.19 Cc1ccc(cc1)C(F)(F)F L11043 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C A11531 [1,1,0,0,0,0|2,0,0]=4 523 B11R1.19 Cc1ccc(cc1)[Si](C)(C)C A17884 [1,1,0,0,0,0|0,1,0]=3 524 B11R1.21 CC(C)c1ccc(c(c1)Br)N A14995 [1,1,0,0,0,0|1,0,0]=3 525 B11R1.21 Cc1ccc(cc1C)C(=O)C A12187 [1,1,0,0,0,0|1,0,1]=4 526 B11R1.21 Cc1ccc(cc1F)C(=O)C B24108 [1,1,0,0,0,0|1,0,1]=4 527 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [1,1,0,0,0,0|1,0,1]=4 528 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [1,1,0,0,0,0|1,0,1]=4 529 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [1,1,0,0,0,0|1,0,1]=4 530 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [1,1,0,0,0,0|1,0,1]=4 531 B11R1.37 COc1cc(ccc1CN)F H26796 [1,1,0,0,0,0|2,0,0]=4 532 B11R1.37 COc1cc(ccc1CN)F H51153 [1,1,0,0,0,0|2,0,0]=4 533 B11R1.37 COc1cc(ccc1CO)Br H27339 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.37 COc1cc(ccc1CO)Cl H27562 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.37 COc1ccc(cc1CO)F H32256 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.37 COc1ccc(cc1OC)Br A11133 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.37 COc1ccc(cc1OC)F A17936 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.37 COc1ccc(cc1OC)N A13548 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.37 COc1ccc(cc1OC)O A11344 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.37 COc1ccc(cc1OC)S A14745 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.37 COc1ccc(cc1OC)[Mg+] H54654 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.37 Cc1ccc(c(c1)OC)OC A15558 [1,1,0,0,0,0|1,0,0]=3 543 B11R1.81 CNCc1ccc(cc1Cl)Cl H63409 [1,1,0,0,0,0|2,0,0]=4 544 B11R1.81 c1cc(c(cc1Cl)Cl)CCO H64345 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.278 COc1ccc(c(c1O)F)F H26459 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.278 Cc1ccc(c(c1F)F)CBr H26703 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.278 Cc1ccc(c(c1F)F)CN H26715 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.278 Cc1ccc(c(c1F)F)OC H26292 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.279 COc1ccc(c(c1)Br)OC A15640 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.279 COc1ccc(c(c1)Cl)OC B23497 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.279 COc1ccc(c(c1)F)CO H32118 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.279 COc1ccc(c(c1)F)OC L13505 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.279 COc1ccc(c(c1)N)OC L05053 [1,1,0,0,0,0|2,0,0]=4 554 B11R1.279 COc1ccc(c(c1)O)C=O A12971 [1,1,0,0,0,0|1,0,1]=4 555 B11R1.279 COc1ccc(c(c1)S)OC L11641 [1,1,0,0,0,0|1,1,0]=4 556 B11R1.279 COc1ccc(c(c1)[Mg+])OC H54337 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.279 COc1ccc(cc1Br)CO H32395 [1,1,0,0,0,0|2,0,0]=4 558 B11R1.279 COc1ccc(cc1Cl)CN H63806 [1,1,0,0,0,0|2,0,0]=4 559 B11R1.279 COc1ccc(cc1F)CBr H26116 [1,1,0,0,0,0|2,0,0]=4 560 B11R1.279 COc1ccc(cc1F)CCl H31756 [1,1,0,0,0,0|2,0,0]=4 561 B11R1.279 COc1ccc(cc1F)CN H26607 [1,1,0,0,0,0|2,0,0]=4 562 B11R1.279 COc1ccc(cc1F)CO H32350 [1,1,0,0,0,0|2,0,0]=4 563 B11R1.279 COc1ccc(cc1O)C=O A12866 [1,1,0,0,0,0|1,0,1]=4 564 B11R1.279 COc1ccc(cc1O)CO A14786 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.279 Cc1cc(ccc1OC)CO H50344 [1,1,0,0,0,0|2,0,0]=4 566 B11R1.279 Cc1cc(ccc1OC)OC B21631 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.464 Cc1cc(c(c(c1)C)CCl)C L00423 [1,1,0,0,0,0|2,0,0]=4 568 B11R1.464 Cc1cc(c(c(c1)C)CO)C L01952 [1,1,0,0,0,0|2,0,0]=4 569 B11R1.464 Cc1cc(c(c(c1)C)CS)C A17139 [1,1,0,0,0,0|2,0,0]=4 570 B11R1.464 Cc1cc(c(c(c1)C)NC)C H55151 [1,1,0,0,0,0|2,0,0]=4 571 B11R1.53 CC(=O)c1ccccc1OC A11929 [1,1,0,0,0,0|1,0,1]=4 572 B11R1.53 CC(C)c1ccccc1OC H53383 [1,1,0,0,0,0|0,0,0]=2 573 B11R1.53 C[C@@H](c1ccccc1OC)N H26948 [1,1,0,0,0,0|1,0,0]=3 574 B11R1.53 C[C@H](c1ccccc1OC)N H27669 [1,1,0,0,0,0|1,0,0]=3 575 B11R1.87 CC(C)(C)c1ccccc1O L07294 [1,1,0,0,0,0|0,0,0]=2 576 B11R1.87 CC(C)(C)c1ccccc1S L11578 [1,1,0,0,0,0|0,1,0]=3 577 B11R1.87 CC(C)(c1ccccc1N)N H35906 [1,1,0,0,0,0|1,0,0]=3 578 B11R1.87 Cc1ccccc1C(C)(C)C H33036 [1,1,0,0,0,0|1,0,0]=3 579 B11R1.87 c1ccc(c(c1)C(F)(F)F)O A14231 [1,1,0,0,0,0|2,0,0]=4 580 B11R1.156 CC(=O)c1c(cccc1F)O H26130 [1,1,0,0,0,0|1,0,1]=4 581 B11R1.156 CC(=O)c1c(cccc1O)O A14627 [1,1,0,0,0,0|1,0,1]=4 582 B11R1.156 CC(c1c(cccc1Cl)Cl)O L12350 [1,1,0,0,0,0|2,0,0]=4 583 B11R1.156 CC(c1c(cccc1F)F)O H32771 [1,1,0,0,0,0|2,0,0]=4 584 B11R1.159 CC(=O)c1cccc(c1O)F H32854 [1,1,0,0,0,0|1,0,1]=4 585 B11R1.159 CC(c1cccc(c1F)Br)O H64736 [1,1,0,0,0,0|2,0,0]=4 586 B11R1.167 CC(=O)c1cc(ccc1O)Br H61979 [1,1,0,0,0,0|1,0,1]=4 587 B11R1.167 CC(=O)c1cc(ccc1O)Cl A15448 [1,1,0,0,0,0|1,0,1]=4 588 B11R1.167 CC(=O)c1cc(ccc1O)F A15614 [1,1,0,0,0,0|1,0,1]=4 589 B11R1.167 CC(=O)c1cc(ccc1O)O A12185 [1,1,0,0,0,0|1,0,1]=4 590 B11R1.167 CC(c1cc(ccc1F)Cl)O H31600 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.167 Cc1ccc(c(c1)C(=O)C)O A13136 [1,1,0,0,0,0|1,0,1]=4 592 B11R1.167 Cc1ccc(c(c1)C(C)O)C H32827 [1,1,0,0,0,0|2,0,0]=4 593 B11R1.222 CCC(=O)c1ccccc1O B25442 [1,1,0,0,0,0|1,0,1]=4 594 B11R1.222 CCC(C)c1ccccc1O A18461 [1,1,0,0,0,0|0,0,0]=2 595 B11R1.222 CCC(c1ccccc1F)O H31929 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.222 COC(=O)c1ccccc1O A10578 [1,1,0,0,0,0|1,0,1]=4 597 B11R1.222 c1ccc(c(c1)C(=O)CBr)O B25722 [1,1,0,0,0,0|1,0,1]=4 598 B11R1.222 c1ccc(c(c1)C(CN)O)F H50770 [1,1,0,0,0,0|2,0,0]=4 599 B11R1.222 c1ccc(c(c1)[C@@H](CO)O)Cl H56431 [1,1,0,0,0,0|2,0,0]=4 600 B13R1.51 CC(C)Oc1ccc(cc1C#N)Br H50627 [0,1,0,0,0,1|2,0,0]=4 601 B13R1.876 CC(C)Oc1cc(c(cc1Cl)Cl)N L18371 [0,1,0,0,0,1|2,0,0]=4 602 B13R1.99 CC(=O)c1ccc(cc1OC)OC A15982 [0,2,0,0,0,0|1,0,1]=4 603 B13R1.95 COc1ccc(c(c1)O)C(=O)OC L03855 [0,2,0,0,0,0|1,0,1]=4 604 B11R2.34 c1cc(ccc1C2CO2)Br H26818 [1,0,0,1,0,0|2,0,0]=4 605 B11R2.34 c1cc(ccc1C2CO2)Cl H26516 [1,0,0,1,0,0|2,0,0]=4 606 B11R2.34 c1cc(ccc1C2CO2)F H26600 [1,0,0,1,0,0|2,0,0]=4 607 B11R2.34 c1cc(ccc1[C@@H]2CO2)F H33603 [1,0,0,1,0,0|2,0,0]=4 608 B11R2.36 c1cc2c(cc1Br)OCO2 A17906 [1,0,0,1,0,0|2,0,0]=4 609 B11R2.36 c1cc2c(cc1Cl)OCO2 B22534 [1,0,0,1,0,0|2,0,0]=4 610 B11R2.36 c1cc2c(cc1N)CCC2 L02504 [1,0,0,1,0,0|2,0,0]=4 611 B11R2.36 c1cc2c(cc1N)OCO2 A12975 [1,0,0,1,0,0|2,0,0]=4 612 B11R2.36 c1cc2c(cc1O)CCC2 L01623 [1,0,0,1,0,0|2,0,0]=4 613 B11R2.36 c1cc2c(cc1O)OCO2 A10453 [1,0,0,1,0,0|2,0,0]=4 614 B11R2.36 c1cc2c(cc1[Mg+])OCO2 H54632 [1,0,0,1,0,0|2,0,0]=4 615 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [1,0,0,1,0,0|1,0,1]=4 616 B11R2.1 c1ccc2c(c1)CCC2N A16585 [1,0,0,1,0,0|2,0,0]=4 617 B11R2.1 c1ccc2c(c1)CCC2O B24536 [1,0,0,1,0,0|2,0,0]=4 618 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [1,0,0,1,0,0|2,0,0]=4 619 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [1,0,0,1,0,0|2,0,0]=4 620 B9R1.35 CC1=CC(=CC1)C(C)C L19126 [1,0,0,0,1,0|0,0,1]=3 621 B9R1.35 Cc1csc(n1)C(C)C A13532 [1,0,0,0,1,0|2,0,0]=4 622 B11R1.20 CC(C)Cc1ccc(cc1)[Mg+] H54201 [1,0,0,0,0,1|1,0,0]=3 623 B11R1.20 CC(C)Oc1ccc(cn1)Br H32564 [1,0,0,0,0,1|2,0,0]=4 624 B11R1.20 CC(C)Oc1ccc(cn1)I H50140 [1,0,0,0,0,1|2,0,0]=4 625 B11R1.20 CC(Cc1ccc(cc1)F)N H51016 [1,0,0,0,0,1|2,0,0]=4 626 B11R1.20 Cc1ccc(cc1)CC(=O)C B24728 [1,0,0,0,0,1|1,0,1]=4 627 B11R1.20 Cc1ccc(cc1)NC(=O)C A13721 [1,0,0,0,0,1|1,0,1]=4 628 B11R1.86 CC(=O)Nc1ccccc1O B21264 [1,0,0,0,0,1|1,0,1]=4 629 B11R1.86 CC(C)Oc1c(cccn1)Br H52360 [1,0,0,0,0,1|2,0,0]=4 630 B11R1.86 CC(C)Oc1c(cccn1)I H50083 [1,0,0,0,0,1|2,0,0]=4 631 B11R1.86 CC(C)Oc1ccccc1Br B25688 [1,0,0,0,0,1|1,0,0]=3 632 B11R1.86 CC(C)Oc1ccccc1O L07360 [1,0,0,0,0,1|0,0,0]=2 633 B11R1.86 CC(Cc1ccccc1F)N H50999 [1,0,0,0,0,1|2,0,0]=4 634 B11R1.74 Cc1cc(cc(c1)N(C)C)C L09266 [0,0,0,0,1,1|2,0,0]=4 635 B11R1.74 Cc1cc(cc(c1)N)C(C)C H33859 [0,0,0,0,1,1|1,0,0]=3