0 B11R1.3 C#Cc1ccc(cc1)N(C)C PI-30225 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.3 C1=CC(=NC=C1C=O)C(=O)O PI-43981 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.3 C=Cc1ccc(cc1)C(=O)O PI-30056 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.3 CC(C)C1=CC=C(C=C1)C#C PI-30350 [0,0,0,0,0,0|1,0,1]=2 6 B11R1.3 CC(C)C1=CC=C(C=C1)CN PI-19626 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.3 CC(C)C1=NC=C(C=C1)C=O PI-44044 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-23374 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-35653 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.3 CN(C)C1=CC=C(C=C1)CO PI-41788 [0,0,0,0,0,0|1,0,2]=3 15 B11R1.3 CN(C)C1=NC=C(C=N1)C=O PI-35874 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.3 C[C@@H](C1=CC=C(C=C1)C#N)O PI-49825 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.3 C[C@H](C1=CC=C(C=C1)C#N)O PI-49824 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.3 NNc1ccc(cc1)C(C)C PI-29077 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.3 NNc1ccc(cc1)C(C)C PI-29812 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.3 O=Cc1ccc(cc1)B(O)O PI-16440 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.3 O=Cc1ccc(cc1)C(=O)O PI-18766 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.3 O=Cc1ccc(cc1)N(C)C PI-32094 [0,0,0,0,0,0|1,0,0]=1 25 B11R1.3 O=Cc1ccc(cc1)[N+](=O)[O-] PI-12008 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.3 BrCc1ccc(cc1)CBr PI-32199 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.3 C#CC1=CN=C(C=C1)C=O PI-48186 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.3 C1=CC(=CC=C1C=O)C#N PI-31014 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.3 C1=CC(=CC=C1CBr)C#N PI-31089 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.3 C1=CC(=CC=C1CBr)C=O PI-26695 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.3 C1=CC(=CC=C1CCl)C#N PI-31324 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.3 C1=CC(=CC=C1CCl)C=O PI-46952 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.3 C1=CC(=CC=C1CN)CN PI-19696 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.3 C1=CC(=CC=C1CO)C=O PI-48330 [1,0,0,0,0,0|1,0,0]=2 35 B10R1.3 C1=CC(=CC=C1CS)CS PI-17107 [1,0,0,0,0,0|1,1,1]=4 36 B10R1.3 CCC1=CC=C(C=C1)C#C PI-30582 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.3 CCC1=CC=C(C=C1)NN PI-50515 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.3 CCc1ccc(C=O)cc1 PI-36758 [1,0,0,0,0,0|0,0,0]=1 39 B10R1.3 CNC1=CC=C(C=C1)C#N PI-35883 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.3 COC1=CC=C(C=C1)C#N PI-11998 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.3 COC1=CC=C(C=C1)CS PI-45776 [1,0,0,0,0,0|1,1,1]=4 42 B10R1.3 COC1=CC=C(CC)C=C1 PI-12098 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.3 COC1=NC=C(C=C1)C=O PI-10317 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.3 COc1ccc(cc1)C#C PI-30919 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.3 COc1ccc(cc1)C=C PI-34180 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.3 COc1ccc(cc1)SC PI-12000 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.3 COc1ccc(nc1)C=O PI-39039 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.3 CSC1=CC=C(C=C1)CO PI-30503 [1,0,0,0,0,0|1,0,2]=4 49 B10R1.3 CSC1=CC=C(C=C1)NN PI-29509 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.3 CSc1ccc(cc1)C=O PI-27503 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.3 ClCc1ccc(OC)cc1 PI-11999 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.3 NCc1ccc(OC)cc1 PI-10970 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.3 NCc1ccc(cc1)C#N PI-24033 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.3 NNc1ccc(cc1)OC PI-25299 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.3 O=Cc1ccc(C#C)cc1 PI-26824 [1,0,0,0,0,0|0,0,2]=3 56 B10R1.3 O=Cc1ccc(cc1)C=O PI-38472 [1,0,0,0,0,0|1,0,1]=3 57 B10R1.3 OCc1ccc(CBr)cc1 PI-22138 [1,0,0,0,0,0|1,0,2]=4 58 B10R1.3 OCc1ccc(cc1)CO PI-30750 [1,0,0,0,0,0|1,0,2]=4 59 B10R1.13 C1=CC(=CC=C1C(Cl)Cl)F PI-19632 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.13 C1=CC(=CC=C1C(F)F)Br PI-21636 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [1,0,0,0,0,0|1,0,0]=2 66 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [1,0,0,0,0,0|0,1,0]=2 67 B10R1.13 CC(C)C1=NNC(=O)C=C1 PI-48300 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,0,0,0,0,0|2,0,0]=3 70 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,0,0,0,0,0|2,0,0]=3 72 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,0,0,0,0,0|1,0,2]=4 73 B10R1.13 CC(N)C1=NC=C(F)C=C1 PI-41878 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,0,0,0,0,0|1,0,2]=4 76 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,0,0,0,0,0|1,0,1]=3 77 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,0,0,0,0,0|1,0,1]=3 78 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,0,0,0,0,0|1,0,1]=3 79 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [1,0,0,0,0,0|1,1,0]=3 81 B10R1.13 CN(C)C1=NC=C(Br)C=C1 PI-46676 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.13 CN(C)C1=NC=C(C=C1)N PI-33882 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,0,0,0,0,0|1,0,1]=3 89 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 PI-41877 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,0,0,0,0,0|2,0,0]=3 91 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,0,0,0,0,0|0,0,1]=2 92 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,0,0,0,0,0|2,0,0]=3 93 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [1,0,0,0,0,0|2,0,0]=3 94 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [1,0,0,0,0,0|2,0,0]=3 95 B10R1.13 Nc1ccc(nc1)C(C)C PI-38600 [1,0,0,0,0,0|2,0,0]=3 96 B10R1.13 Nc1ccc(nc1)N(C)C PI-36330 [1,0,0,0,0,0|3,0,0]=4 97 B12R1.5 C1=C(C(OC)=O)C=CC(=C1)C=O PI-27217 [0,1,0,0,0,0|1,0,1]=3 98 B12R1.5 COC(=O)C1=CN=C(C=C1)C=O PI-48291 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.5 COC(=O)C1=NC=C(C=C1)C=O PI-44040 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.6 BrCc1ccc(cc1)C(C)(C)C PI-12017 [0,1,0,0,0,0|1,0,1]=3 101 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C#C PI-22985 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O PI-12015 [0,1,0,0,0,0|0,0,0]=1 103 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN PI-15629 [0,1,0,0,0,0|1,0,1]=3 104 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CO PI-46935 [0,1,0,0,0,0|0,0,2]=3 105 B12R1.6 CC(C)(C)C1=CC=C(C=C1)NN PI-15647 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.6 CC(C)(C)C1=CC=C(C=C1)NN PI-50544 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.6 CC(C)(C)C1=NC=C(C=C1)C=O PI-48244 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.6 CC(C)(C)c1ccc(cc1)C#N PI-12016 [0,1,0,0,0,0|1,0,1]=3 109 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O PI-25652 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.6 C[Si](C)(C)C1=CC=C(C=C1)C=C PI-45681 [0,1,0,0,0,0|1,1,0]=3 111 B12R1.6 ClCc1ccc(cc1)C(C)(C)C PI-12472 [0,1,0,0,0,0|1,0,1]=3 112 B12R1.6 O=Cc1ccc(cc1)C(F)(F)F PI-31200 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.6 O=Cc1ccc(nc1)C(F)(F)F PI-39038 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.48 B(C1=CC(=C(C=C1)C=O)C)(O)O PI-49951 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.48 CC1=C(C=CC(=C1)N(C)C)C=O PI-27107 [0,1,0,0,0,0|1,0,0]=2 116 B12R1.48 CN(C)C1=CC(=C(C=C1)C=O)Cl PI-27168 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.48 CN(C)C1=CC(=C(C=C1)N=O)O PI-29586 [0,1,0,0,0,0|2,0,0]=3 118 B12R1.48 O=C(O)C1=CC=C(C=O)C(O)=C1 PI-33362 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.48 O=Cc1ccc(cc1O)N(C)C PI-36325 [0,1,0,0,0,0|1,0,0]=2 120 B12R1.48 O=Cc1ccc(cc1O)[N+](=O)[O-] PI-38227 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.48 OB(C1=CC=C(C=O)C(F)=C1)O PI-25384 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.113 CC(C)C1=CC=C(C=C1)CC#N PI-19627 [0,1,0,0,0,0|1,0,1]=3 123 B12R1.113 CC(C)C1=CC=C(C=C1)N=C=O PI-11414 [0,1,0,0,0,0|0,0,1]=2 124 B12R1.113 CCOC1=CC=C(C=C1)[C@@H](C)O PI-49822 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.113 CN(C)C1=CC=C(C=C1)N=C=S PI-21937 [0,1,0,0,0,0|1,1,1]=4 126 B12R1.113 CN(c1ccc(cc1)N=C=O)C PI-11431 [0,1,0,0,0,0|1,0,1]=3 127 B12R1.113 O=C=Nc1ccc(cc1)C(=O)C PI-29630 [0,1,0,0,0,0|1,0,2]=4 128 B12R1.256 B(C1=CC=C(C=C1)C(=O)C)(O)O PI-16433 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.256 C1=CC(=CC=C1B(O)O)C(C)C PI-25211 [0,1,0,0,0,0|1,0,1]=3 130 B12R1.256 C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-] PI-50443 [0,1,0,0,0,0|3,0,0]=4 131 B12R1.256 CC(=C)C1=CC=C(C=C1)C(=C)C PI-50178 [0,1,0,0,0,0|1,0,2]=4 132 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C PI-29027 [0,1,0,0,0,0|1,0,1]=3 133 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C PI-29338 [0,1,0,0,0,0|1,0,0]=2 134 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O PI-10308 [0,1,0,0,0,0|1,0,1]=3 135 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)C PI-12756 [0,1,0,0,0,0|0,0,0]=1 136 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O PI-10224 [0,1,0,0,0,0|0,0,0]=1 137 B12R1.256 CC(C)C1=NC=C(C=C1)C(=O)C PI-44046 [0,1,0,0,0,0|1,0,0]=2 138 B12R1.256 CC(C1=CC=C(C=C1)C(=O)N)O PI-44117 [0,1,0,0,0,0|1,0,0]=2 139 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])N PI-26310 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])N PI-26626 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.256 CN(C)C1=CC=C(C=C1)N(C)C PI-30028 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.256 CN(c1ccc(cc1)C(=O)O)C PI-33461 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.256 CN(c1ccc(cc1)N(C)C)C PI-30819 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.256 C[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O PI-49812 [0,1,0,0,0,0|2,0,0]=3 145 B12R1.256 C[Si](C)C1=CC=C(C=C1)[Si](C)C PI-46040 [0,1,0,0,0,0|1,2,0]=4 146 B12R1.256 C[Si](C)C1=CC=C(C=C1)[Si](C)C PI-50095 [0,1,0,0,0,0|1,2,0]=4 147 B12R1.256 NC(=N)c1ccc(cc1)C(=O)N PI-30758 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.256 NC(=O)c1ccc(cc1)C(=O)O PI-24516 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.256 N[C@H](C)C1=CC=C([N+]([O-])=O)C=C1 PI-26752 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.256 OB(c1ccc(cc1)C(=O)N)O PI-25096 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.256 OB(c1ccc(cc1)C(=O)O)O PI-10310 [0,1,0,0,0,0|3,0,0]=4 152 B12R1.452 C1=CC(=C(C=C1C=O)F)[N+](=O)[O-] PI-42949 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.452 O=Cc1ccc([N+](=O)[O-])c(C)c1 PI-32270 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.452 O=Cc1ccc(c(c1)O)[N+](=O)[O-] PI-11927 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.31 CN(C)C1=CC=C(O1)C=O PI-17658 [0,0,0,0,1,0|2,0,0]=3 156 B10R1.31 O=CC1=CN(C(C)C)N=C1 PI-40533 [0,0,0,0,1,0|2,0,0]=3 157 B12R1.4 C1=CC(=CC=C1C=O)OC(F)F PI-21180 [0,0,0,0,0,1|2,0,0]=3 158 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O PI-10856 [0,0,0,0,0,1|1,0,1]=3 159 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=C PI-26362 [0,0,0,0,0,1|2,0,1]=4 160 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O PI-27962 [0,0,0,0,0,1|1,0,1]=3 161 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O PI-27291 [0,0,0,0,0,1|0,0,0]=1 162 B12R1.4 CC(C)OC1=CC=C(C=C1)NN PI-44104 [0,0,0,0,0,1|2,0,0]=3 163 B12R1.4 CC(CC1=CC=C(C=C1)OC)N PI-49796 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.1 BrCc1ccc(Br)cc1 PI-11967 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.1 BrCc1ccc(Cl)cc1 PI-15674 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.1 BrCc1ccc(I)cc1 PI-16508 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.1 C1=CC(=CC=C1CBr)F PI-12706 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.1 C1=CC(=CC=C1CCl)Br PI-20545 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.1 C1=CC(=CC=C1CN)Cl PI-11469 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.1 C1=CC(=CC=C1CN)I PI-33700 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.1 C1=CC(=CC=C1CN)O PI-20736 [2,0,0,0,0,0|1,0,1]=4 174 B9R1.1 C1=CC(=CC=C1CO)F PI-16874 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.1 C1=CC(=CC=C1CO)N PI-11961 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.1 C1=CC(=CC=C1CS)F PI-23496 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [2,0,0,0,0,0|2,0,0]=4 180 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.1 C=Cc1ccc(nc1)C PI-38680 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [2,0,0,0,0,0|1,0,1]=4 185 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [2,0,0,0,0,0|1,0,1]=4 186 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [2,0,0,0,0,0|0,1,0]=3 191 B9R1.1 CCc1ccc(C)cc1 PI-36542 [2,0,0,0,0,0|0,0,1]=3 192 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.1 CNc1ccc(cc1)Br PI-21585 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [2,0,0,0,0,0|1,1,0]=4 197 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.1 COc1ccc(cc1)Br PI-34196 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.1 COc1ccc(cc1)I PI-33808 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.1 COc1ccc(cc1)O PI-31355 [2,0,0,0,0,0|1,0,1]=4 201 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [2,0,0,0,0,0|2,0,0]=4 202 B9R1.1 CSc1ccc(cc1)O PI-18075 [2,0,0,0,0,0|1,0,1]=4 203 B9R1.1 ClCc1ccc(F)cc1 PI-31364 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.1 NCc1ccc(F)cc1 PI-11985 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.1 NCc1ccc(cc1)Br PI-20544 [2,0,0,0,0,0|2,0,0]=4 207 B9R1.1 NCc1ccc(cc1)Br PI-38542 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.1 NNc1ccc(C)cc1 PI-13126 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.1 OCc1ccc(S)cc1 PI-35674 [2,0,0,0,0,0|1,1,0]=4 215 B9R1.1 OCc1ccc(cc1)Cl PI-11977 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.1 OCc1ccc(cc1)I PI-33685 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.1 OCc1ccc(cc1)O PI-29788 [2,0,0,0,0,0|1,0,1]=4 218 B9R1.6 CC(C)c1ccncc1 PI-16693 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [2,0,0,0,0,0|1,0,0]=3 220 B9R1.6 CC(c1ccccn1)N PI-38576 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.6 CC(c1ccncc1)N PI-38572 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.6 CN(C)c1ccncc1 PI-16263 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [2,0,0,0,0,0|2,0,0]=4 226 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [2,0,0,0,0,0|1,0,0]=3 229 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [2,0,0,0,0,0|0,1,0]=3 234 B11R1.83 C1=CC(=CC=C1CCN)C#N PI-48254 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.83 CCCC1=CC=C(C=C1)C#C PI-30797 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.83 CCCC1=CC=C(C=C1)C=O PI-27431 [1,1,0,0,0,0|0,0,0]=2 237 B11R1.83 CCCC1=NC=C(C=C1)C=O PI-44043 [1,1,0,0,0,0|1,0,0]=3 238 B11R1.83 CCOC1=CC=C(C=C1)C#C PI-30939 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.83 CCOC1=CC=C(C=C1)C#N PI-50300 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.83 CCOC1=CC=C(C=C1)C=O PI-50245 [1,1,0,0,0,0|0,0,0]=2 241 B11R1.83 CCSC1=CC=C(C=C1)C=O PI-27942 [1,1,0,0,0,0|0,0,0]=2 242 B11R1.83 COC1=CC=C(C=C1)CCO PI-35236 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.83 COCc1ccc(cc1)OC PI-35666 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.83 COc1ccc(cc1)N=C=O PI-39302 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.83 NCCc1ccc(OC)cc1 PI-31711 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.279 C1=CC(=C(C=C1C#N)F)C=O PI-26050 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.279 CC1=C(C=CC(=C1)C=O)OC PI-16554 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.279 CC1=C(C=CC(=C1)OC)C=O PI-27668 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.279 COC1=C(C=C(C=C1)C=O)Br PI-18486 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.279 COC1=C(C=C(C=C1)C=O)F PI-28427 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.279 COC1=C(C=C(C=C1)C=O)O PI-15305 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.279 COC1=CC(=C(C=C1)C=O)F PI-28394 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.279 COc1ccc(C=O)c(O)c1 PI-31262 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.279 O=CC1=CN=C(OC)C(F)=C1 PI-46768 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.19 Brc1ccc(cc1)C(C)(C)C PI-11587 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Cl PI-34169 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.19 CC(C)(C)C1=CC=C(C=C1)I PI-15640 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.19 CC(C)(C)C1=CC=C(C=C1)N PI-22877 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.19 CC(C)(C)c1ccc(S)cc1 PI-23054 [1,1,0,0,0,0|0,1,0]=3 260 B11R1.19 CC(C1=CC=C(Br)C=C1)(F)C PI-46657 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.19 CC(C1=CC=C(C=C1)Br)(F)F PI-42710 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.19 CC1=CC=C(C=C1)C(C)(C)C PI-31987 [1,1,0,0,0,0|0,0,1]=3 263 B11R1.21 CC(C)C1=CC(=C(C=C1)N)Br PI-21542 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.21 CC(c1ccc(c(c1)N)C)C PI-19295 [1,1,0,0,0,0|0,0,1]=3 265 B11R1.21 CC1=C(C=CC(=C1)N(C)C)Br PI-46966 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.166 CC(N)C1=CC=C(Cl)C=C1Cl PI-41295 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 PI-40893 [1,1,0,0,0,0|0,0,1]=3 269 B11R1.175 CC(n1ncc(c1)C(=O)O)C PI-39167 [0,1,0,0,1,0|2,0,0]=4 270 B13R1.4 CC(C)(C)OC1=CC=C(C=C1)C=C PI-34181 [0,1,0,0,0,1|1,0,0]=3 271 B13R1.4 CC(C)(C)OC1=CC=C(C=C1)C=O PI-27727 [0,1,0,0,0,1|0,0,0]=2 272 B13R1.4 C[Si](C)(C)OC1=CC=C(C=C1)C=O PI-27039 [0,1,0,0,0,1|0,1,0]=3 273 B13R1.4 O=CC1=CC=C(SC(F)(F)F)C=C1 PI-10104 [0,1,0,0,0,1|2,0,0]=4 274 B13R1.4 O=Cc1ccc(cc1)OC(F)(F)F PI-10415 [0,1,0,0,0,1|2,0,0]=4 275 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O PI-27641 [0,1,0,0,0,1|1,0,1]=4 276 B13R1.585 B(C1=CC=C(C=C1)SC(C)C)(O)O PI-25515 [0,1,0,0,0,1|1,0,1]=4 277 B13R1.585 C1=CC(=CC=C1C(=O)O)OC(F)F PI-21183 [0,1,0,0,0,1|2,0,0]=4 278 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(O)=O PI-34030 [0,1,0,0,0,1|1,0,1]=4 279 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)C PI-26513 [0,1,0,0,0,1|1,0,1]=4 280 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)Cl PI-26185 [0,1,0,0,0,1|1,0,1]=4 281 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)O PI-32421 [0,1,0,0,0,1|1,0,1]=4 282 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)C PI-12655 [0,1,0,0,0,1|0,0,0]=2 283 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O PI-28475 [0,1,0,0,0,1|0,0,0]=2 284 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)O PI-19101 [0,1,0,0,0,1|0,0,0]=2 285 B13R1.585 CC(C)OC1=NC=C(C=C1)C(=O)O PI-44115 [0,1,0,0,0,1|1,0,0]=3 286 B13R1.585 FC(Oc1ccc(cc1)C(=O)C)F PI-29937 [0,1,0,0,0,1|2,0,0]=4 287 B13R1.585 O=C(O)C1=CC=C(NC(C)=O)C=C1 PI-38014 [0,1,0,0,0,1|1,0,1]=4 288 B13R1.585 OB(c1ccc(cc1)CC(C)C)O PI-25190 [0,1,0,0,0,1|1,0,1]=4 289 B13R1.585 OB(c1ccc(cc1)OC(C)C)O PI-25191 [0,1,0,0,0,1|1,0,1]=4 290 B13R1.653 C1=CC(=C(C=C1C=O)O)OC(F)F PI-26158 [0,1,0,0,0,1|2,0,0]=4 291 B13R1.39 CCN(c1ccc(cc1)C=O)CC PI-31665 [0,2,0,0,0,0|1,0,0]=3 292 B13R1.39 OCc1ccc(cc1)C(OC)OC PI-27284 [0,2,0,0,0,0|0,0,2]=4 293 B13R1.187 CCC(C)(C)C1=CC=C(C=C1)CCl PI-15217 [0,2,0,0,0,0|1,0,1]=4 294 B13R1.452 CN(CCCl)C1=CC=C(C=C1)C=O PI-31331 [0,2,0,0,0,0|1,0,0]=3 295 B13R1.452 OCCN(C)c1ccc(C=O)cc1 PI-31041 [0,2,0,0,0,0|1,0,0]=3 296 B13R1.537 BrCC(=O)c1ccc(cc1)N(C)C PI-38289 [0,2,0,0,0,0|1,0,0]=3 297 B13R1.537 C1=CC(=CC=C1C(=O)CBr)C(=O)O PI-41230 [0,2,0,0,0,0|1,0,1]=4 298 B13R1.537 CC(=O)C1=CC=C(C=C1)C(=O)OC PI-29513 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)CBr PI-31562 [0,2,0,0,0,0|0,0,0]=2 300 B13R1.537 CN(C)C1=CC=C(C=C1)C(=O)NN PI-23371 [0,2,0,0,0,0|1,0,0]=3 301 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)Cl PI-17967 [0,2,0,0,0,0|1,0,1]=4 302 B13R1.537 COC(=O)c1ccc(cc1)C(=O)O PI-31083 [0,2,0,0,0,0|1,0,1]=4 303 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)C=O)O PI-18805 [0,2,0,0,0,0|0,0,0]=2 304 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)OC)Br PI-43954 [0,2,0,0,0,0|2,0,0]=4 305 B13R1.38 CC(C)(C)C1=CC(=C(C=C1)OC)N PI-30512 [0,2,0,0,0,0|2,0,0]=4 306 B13R1.38 O=Cc1ccc(cc1F)C(F)(F)F PI-28886 [0,2,0,0,0,0|2,0,0]=4 307 B13R1.96 C1=CC(=C(C=C1C=O)Cl)C(F)(F)F PI-27940 [0,2,0,0,0,0|2,0,0]=4 308 B13R1.96 C1=CC(=C(C=C1C=O)F)C(F)(F)F PI-10594 [0,2,0,0,0,0|2,0,0]=4 309 B13R1.140 C=CCc1ccc(cc1)C(C)(C)C PI-23001 [0,2,0,0,0,0|1,0,0]=3 310 B13R1.140 CC(C)(C)C1=CC=C(C=C1)CC#N PI-12835 [0,2,0,0,0,0|1,0,1]=4 311 B13R1.140 CC(C)(C)C1=CC=C(C=C1)CCN PI-15646 [0,2,0,0,0,0|1,0,1]=4 312 B13R1.140 CC(C)(C)C1=CC=C(C=C1)N=C=S PI-22991 [0,2,0,0,0,0|0,1,1]=4 313 B13R1.140 O=CNc1ccc(cc1)C(F)(F)F PI-13594 [0,2,0,0,0,0|2,0,0]=4 314 B13R1.140 [C-]#[N+]Cc1ccc(cc1)C(C)(C)C PI-22887 [0,2,0,0,0,0|1,0,1]=4 315 B13R1.338 C1=CC(=CC=C1C(=O)N)C(F)(F)F PI-16898 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.338 CC(=O)C1=CC=C(C=C1)C(F)(F)F PI-31279 [0,2,0,0,0,0|2,0,0]=4 317 B13R1.338 CC(=O)C1=CC=C(C=C1)S(=O)(=O)C PI-10402 [0,2,0,0,0,0|2,0,0]=4 318 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C PI-13220 [0,2,0,0,0,0|0,0,0]=2 319 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)N PI-30718 [0,2,0,0,0,0|0,0,0]=2 320 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=S)N PI-23046 [0,2,0,0,0,0|0,1,0]=3 321 B13R1.338 CC(N)c1ccc(cc1)S(=O)(=O)C PI-24770 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)O PI-27572 [0,2,0,0,0,0|2,0,0]=4 323 B13R1.338 ClC(=O)c1ccc(cc1)C(C)(C)C PI-31768 [0,2,0,0,0,0|0,0,0]=2 324 B13R1.338 ClC(=O)c1ccc(cc1)C(F)(F)F PI-28389 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.338 OB(O)c1ccc(cc1)C(C)(C)C PI-11576 [0,2,0,0,0,0|1,0,1]=4 326 B13R1.338 OC(=O)c1ccc(cc1)C(F)(F)F PI-16128 [0,2,0,0,0,0|2,0,0]=4 327 B13R1.120 CN(C)C1=CC(=C(C=C1)[N+](=O)[O-])N PI-29321 [0,2,0,0,0,0|2,0,0]=4 328 B13R1.120 CN(c1ccc(c(c1)C)P(=O)[O-])C PI-37588 [0,2,0,0,0,0|2,0,0]=4 329 B13R1.120 O=[PH](C1=CC=C(N(C)C)C=C1C)[O-] PI-37589 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.3091 CC(C)C1=CC(=C(C=C1)OC)C=O PI-27954 [0,2,0,0,0,0|2,0,0]=4 331 B13R1.3091 COc1cc(ccc1C=O)N(C)C PI-27946 [0,2,0,0,0,0|1,0,0]=3 332 B13R1.74 O=C\C=C\c1ccc(cc1)N(C)C PI-38317 [0,2,0,0,0,0|1,0,0]=3 333 B11R2.190 O=CC1=CC=C2CCC2=C1 PI-40933 [1,0,0,1,0,0|0,0,0]=2 334 B11R2.190 OCC1=CC=C2C=CC2=C1 PI-40934 [1,0,0,1,0,0|2,0,0]=4 335 B11R2.34 BrC1=CC=C(C=C1)C2CC2 PI-40963 [1,0,0,1,0,0|1,0,0]=3 336 B11R2.34 Clc1ccc(cc1)[C@@H]2OC2 PI-36332 [1,0,0,1,0,0|2,0,0]=4 337 B13R2.2130 CN1C2=C(C=C(C=C2)C=O)N=N1 PI-19652 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.21 CCC1=CC=C(O1)C=O PI-17705 [1,0,0,0,1,0|1,0,0]=3 339 B9R1.21 CSc1ccc(s1)C=O PI-29388 [1,0,0,0,1,0|2,0,0]=4 340 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [1,0,0,0,0,1|1,0,1]=4 341 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [1,0,0,0,0,1|1,0,0]=3 342 B11R1.20 CC(C)NC1=CC=C(C=C1)F PI-42945 [1,0,0,0,0,1|1,0,0]=3 343 B11R1.20 CC(C)OC1=CC=C(C=C1)N PI-28808 [1,0,0,0,0,1|1,0,0]=3 344 B11R1.266 CC(C)C1=NC=CC(=C1)C=O PI-44045 [0,0,0,0,1,1|0,0,0]=2 345 B13R1.3 NCC1=CC=C(OCC(C)C)C=C1 PI-42364 [0,0,0,0,0,2|1,0,1]=4 346 B13R1.3 O=CC1=CC=C(OCC(C)C)C=C1 PI-27292 [0,0,0,0,0,2|0,0,0]=2