0 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [0,0,0,0,0,0|0,0,0]=0 2 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [1,0,0,0,0,0|1,0,0]=2 3 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [1,0,0,0,0,0|1,0,0]=2 4 B10R2.6 C1=CN=C(C2CC2)N=C1 C14647 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [0,1,0,0,0,0|1,0,0]=2 6 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(O)C=C2 A29485 [0,1,0,0,0,0|0,0,0]=1 7 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [0,0,1,0,0,0|1,0,1]=3 8 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [0,0,1,0,0,0|2,0,1]=4 9 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,0,1,0,0,0|1,0,2]=4 10 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,0,1,0,0,0|2,0,0]=3 11 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,0,1,0,0,0|3,0,0]=4 12 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,0,1,0,0,0|3,0,0]=4 13 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [0,0,1,0,0,0|2,0,0]=3 14 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [0,0,1,0,0,0|2,0,0]=3 15 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,0,1,0,0,0|0,0,0]=1 16 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,0,1,0,0,0|0,0,0]=1 17 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,0,1,0,0,0|0,0,0]=1 18 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [0,0,1,0,0,0|2,0,0]=3 19 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [0,0,1,0,0,0|2,0,0]=3 20 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [0,0,1,0,0,0|1,0,0]=2 21 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [0,0,1,0,0,0|2,0,0]=3 22 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [0,0,1,0,0,0|1,0,0]=2 23 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [0,0,1,0,0,0|2,0,0]=3 24 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [0,0,1,0,0,0|2,0,1]=4 25 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [0,0,1,0,0,0|2,0,0]=3 26 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [0,0,1,0,0,0|2,0,0]=3 27 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [0,0,1,0,0,0|2,0,0]=3 28 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [0,0,1,0,0,0|2,0,1]=4 29 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [0,0,1,0,0,0|2,0,0]=3 30 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [0,0,1,0,0,0|2,0,0]=3 31 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [0,0,1,0,0,0|2,0,0]=3 32 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [0,0,1,0,0,0|1,0,0]=2 33 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [0,0,1,0,0,0|2,0,0]=3 34 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [0,0,1,0,0,0|1,0,1]=3 35 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [0,0,1,0,0,0|2,0,1]=4 36 B10R1.17 C=COCC1=CC=CC=C1 B26636 [0,0,1,0,0,0|2,0,1]=4 37 B10R1.17 CCCCC1=CC=NC=C1 B50306 [0,0,1,0,0,0|2,0,0]=3 38 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [0,0,1,0,0,0|2,0,0]=3 39 B10R1.17 CCCOC1=CC=CC=C1 P50263 [0,0,1,0,0,0|2,0,0]=3 40 B10R1.17 CCNCC1=CC=CC=C1 B39547 [0,0,1,0,0,0|2,0,0]=3 41 B10R1.17 CCNCC1=NC=CC=C1 P46970 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.17 CCOCC1=CC=CC=C1 E50267 [0,0,1,0,0,0|2,0,0]=3 43 B10R1.17 CNCCC1=CC=CN=C1 M46974 [0,0,1,0,0,0|3,0,0]=4 44 B10R1.17 ClCC#CC1=CC=CC=C1 C51043 [0,0,1,0,0,0|1,0,2]=4 45 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [0,0,1,0,0,0|2,0,0]=3 46 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [0,0,1,0,0,0|2,0,0]=3 47 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [0,0,1,0,0,0|1,0,2]=4 48 B10R1.17 NCCCC1=CC=NC=C1 P46966 [0,0,1,0,0,0|1,0,0]=2 49 B10R1.17 NCCNC1=CC=CC=C1 P61733 [0,0,1,0,0,0|1,0,0]=2 50 B10R1.17 NCCNC1=NC=CC=N1 P41447 [0,0,1,0,0,0|3,0,0]=4 51 B10R1.17 NCCOC1=CC=CC=C1 P46889 [0,0,1,0,0,0|1,0,0]=2 52 B10R1.17 NCCOC1=CC=NC=C1 P46588 [0,0,1,0,0,0|2,0,0]=3 53 B10R1.17 NCCOC1=NC=CC=C1 P43633 [0,0,1,0,0,0|2,0,0]=3 54 B10R1.17 OCC#CC1=CC=CC=C1 P51545 [0,0,1,0,0,0|1,0,2]=4 55 B10R1.17 OCCCC1=CC=NC=C1 P46905 [0,0,1,0,0,0|2,0,0]=3 56 B10R1.17 OCCCC1=NC=CC=C1 P62447 [0,0,1,0,0,0|2,0,0]=3 57 B10R1.17 OCCCC1=NC=CC=C1 P7829 [0,0,1,0,0,0|2,0,0]=3 58 B10R1.17 OCCSC1=NC=CC=C1 P46439 [0,0,1,0,0,0|3,0,0]=4 59 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [0,0,1,0,0,0|1,0,0]=2 60 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [0,0,1,0,0,0|2,0,1]=4 61 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [0,0,1,0,0,0|2,0,1]=4 62 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [0,0,1,0,0,0|2,0,1]=4 63 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [0,0,1,0,0,0|2,0,1]=4 64 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [0,0,1,0,0,0|1,0,2]=4 65 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [0,0,1,0,0,0|2,0,0]=3 66 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [0,0,1,0,0,0|3,0,0]=4 67 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [0,0,1,0,0,0|3,0,0]=4 68 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [0,0,1,0,0,0|3,0,0]=4 69 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [0,0,1,0,0,0|1,0,1]=3 70 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [0,0,1,0,0,0|2,0,1]=4 71 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [0,0,1,0,0,0|1,0,1]=3 72 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [0,0,1,0,0,0|2,0,1]=4 73 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [0,0,1,0,0,0|2,0,1]=4 74 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [0,0,0,0,0,1|0,0,0]=1 75 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [0,0,0,0,0,1|0,0,0]=1 76 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,0,0,0,0,1|1,0,1]=3 77 B12R2.22 OC1CN(C2=CC=CC=C2)C1 H14395 [0,0,0,0,0,1|2,0,0]=3 78 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,0,0,0,0,1|1,0,1]=3 79 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [1,0,1,0,0,0|1,0,0]=3 80 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [1,0,1,0,0,0|2,0,0]=4 81 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [1,0,1,0,0,0|0,0,0]=2 82 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [1,0,1,0,0,0|1,0,0]=3 83 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [1,0,1,0,0,0|1,0,0]=3 84 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [1,0,1,0,0,0|1,0,0]=3 85 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [1,0,1,0,0,0|2,0,0]=4 86 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [1,0,1,0,0,0|2,0,0]=4 87 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [1,0,1,0,0,0|1,0,0]=3 88 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [1,0,1,0,0,0|1,0,0]=3 89 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [1,0,1,0,0,0|1,0,0]=3 90 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [1,0,1,0,0,0|2,0,0]=4 91 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [1,0,1,0,0,0|2,0,0]=4 92 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [1,0,1,0,0,0|0,0,0]=2 93 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [1,0,1,0,0,0|0,0,0]=2 94 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [1,0,1,0,0,0|1,0,0]=3 95 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [1,0,1,0,0,0|1,0,0]=3 96 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [1,0,1,0,0,0|1,0,0]=3 97 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [1,0,1,0,0,0|1,0,0]=3 98 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [1,0,1,0,0,0|1,0,0]=3 99 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [1,0,1,0,0,0|2,0,0]=4 100 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [1,0,1,0,0,0|2,0,0]=4 101 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [1,0,1,0,0,0|2,0,0]=4 102 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [1,0,1,0,0,0|1,0,0]=3 103 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [1,0,1,0,0,0|1,0,0]=3 104 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [1,0,1,0,0,0|2,0,0]=4 105 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [1,0,1,0,0,0|2,0,0]=4 106 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [1,0,1,0,0,0|2,0,0]=4 107 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [1,0,1,0,0,0|1,0,0]=3 108 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [1,0,1,0,0,0|2,0,0]=4 109 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [1,0,1,0,0,0|2,0,0]=4 110 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [1,0,1,0,0,0|2,0,0]=4 111 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [1,0,1,0,0,0|1,0,1]=4 112 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [1,0,1,0,0,0|1,0,1]=4 113 B9R1.8 BrCCC1=CC=NC=C1 B46088 [1,0,1,0,0,0|2,0,0]=4 114 B9R1.8 CC#CC1=CC=CC=C1 P68608 [1,0,1,0,0,0|0,0,2]=4 115 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,1,0,0,0|1,0,0]=3 116 B9R1.8 CCCC1=NC=CN=C1 P43598 [1,0,1,0,0,0|2,0,0]=4 117 B9R1.8 CCOC1=NC=CC=C1 E46369 [1,0,1,0,0,0|2,0,0]=4 118 B9R1.8 CNCC1=CC=NC=C1 M43623 [1,0,1,0,0,0|2,0,0]=4 119 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,1,0,0,0|2,0,0]=4 120 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,1,0,0,0|2,0,0]=4 121 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,1,0,0,0|0,0,2]=4 122 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,1,0,0,0|1,0,0]=3 123 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,1,0,0,0|1,0,0]=3 124 B9R1.8 NCCC1=NC=NC=C1 P14666 [1,0,1,0,0,0|2,0,0]=4 125 B9R1.8 NCCC1=NC=NC=C1 P29961 [1,0,1,0,0,0|2,0,0]=4 126 B9R1.8 NNCC1=CC=CC=C1 B6123 [1,0,1,0,0,0|1,0,0]=3 127 B9R1.8 NNCC1=CC=CC=C1 B68081 [1,0,1,0,0,0|1,0,0]=3 128 B9R1.8 NNCC1=CC=CN=C1 H0097 [1,0,1,0,0,0|2,0,0]=4 129 B9R1.8 NNCC1=CC=CN=C1 H36962 [1,0,1,0,0,0|2,0,0]=4 130 B9R1.8 NNCC1=CC=NC=C1 H0096 [1,0,1,0,0,0|2,0,0]=4 131 B9R1.8 NNCC1=CC=NC=C1 H26285 [1,0,1,0,0,0|2,0,0]=4 132 B9R1.8 NNCC1=NC=CC=C1 H0098 [1,0,1,0,0,0|2,0,0]=4 133 B9R1.8 NOCC1=CC=CC=C1 B68114 [1,0,1,0,0,0|1,0,0]=3 134 B9R1.8 OCCC1=CC=NC=C1 H46381 [1,0,1,0,0,0|2,0,0]=4 135 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,1,0,0,0|2,0,0]=4 136 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,1,0,0,0|2,0,0]=4 137 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,1,0,0,0|2,0,0]=4 138 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [1,0,1,0,0,0|1,0,1]=4 139 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,0,1,0,0,0|1,0,0]=3 140 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 M64383 [0,1,1,0,0,0|1,0,1]=4 141 B11R1.7 C#C[C@@](C)(O)C1=CC=CC=C1 P52408 [0,1,1,0,0,0|1,0,1]=4 142 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 M62343 [0,1,1,0,0,0|0,0,2]=4 143 B11R1.7 CC(C)(CN)C1=CC=CC=C1 M53116 [0,1,1,0,0,0|0,0,0]=2 144 B11R1.7 NCC(F)(F)C1=NC=CC=C1 D64291 [0,1,1,0,0,0|2,0,0]=4 145 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P12649 [0,1,1,0,0,0|2,0,0]=4 146 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 M52180 [0,1,1,0,0,0|1,0,0]=3 147 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [0,1,1,0,0,0|2,0,0]=4 148 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [0,1,1,0,0,0|1,0,0]=3 149 B11R1.12 OCC(CO)C1=CC=CC=C1 P67660 [0,1,1,0,0,0|1,0,0]=3 150 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [0,1,1,0,0,0|2,0,0]=4 151 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,1,1,0,0,0|2,0,0]=4 152 B11R1.16 CN(CCN)C1=CC=CC=C1 M52257 [0,1,1,0,0,0|1,0,0]=3 153 B11R1.16 CN(CCO)C1=CC=CC=C1 M50351 [0,1,1,0,0,0|2,0,0]=4 154 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [0,1,1,0,0,0|1,0,1]=4 155 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [0,1,1,0,0,0|1,0,0]=3 156 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [0,1,1,0,0,0|2,0,0]=4 157 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [0,1,1,0,0,0|2,0,0]=4 158 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [0,1,1,0,0,0|2,0,0]=4 159 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [0,1,1,0,0,0|2,0,0]=4 160 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [0,1,1,0,0,0|2,0,0]=4 161 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [0,1,1,0,0,0|2,0,0]=4 162 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [0,1,1,0,0,0|1,0,1]=4 163 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [0,1,1,0,0,0|2,0,0]=4 164 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [0,1,1,0,0,0|2,0,0]=4 165 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [0,1,1,0,0,0|2,0,0]=4 166 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [0,1,1,0,0,0|2,0,0]=4 167 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [0,1,1,0,0,0|1,0,0]=3 168 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [0,1,1,0,0,0|2,0,0]=4 169 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [0,1,1,0,0,0|2,0,0]=4 170 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [0,1,1,0,0,0|2,0,0]=4 171 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [0,1,1,0,0,0|2,0,0]=4 172 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [0,1,1,0,0,0|2,0,0]=4 173 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [0,1,1,0,0,0|2,0,0]=4 174 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [0,1,1,0,0,0|2,0,0]=4 175 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [0,1,1,0,0,0|2,0,0]=4 176 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [0,1,1,0,0,0|0,0,0]=2 177 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [0,1,1,0,0,0|0,0,2]=4 178 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 B49032 [0,1,1,0,0,0|1,0,1]=4 179 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A49045 [0,1,1,0,0,0|1,0,1]=4 180 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A49617 [0,1,1,0,0,0|1,0,1]=4 181 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [0,1,1,0,0,0|2,0,0]=4 182 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [0,1,1,0,0,0|2,0,0]=4 183 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [0,1,1,0,0,0|2,0,0]=4 184 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [0,1,1,0,0,0|2,0,0]=4 185 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [0,1,1,0,0,0|2,0,0]=4 186 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [0,1,1,0,0,0|2,0,0]=4 187 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [0,1,1,0,0,0|2,0,0]=4 188 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [0,1,1,0,0,0|2,0,0]=4 189 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [0,1,1,0,0,0|2,0,0]=4 190 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [0,1,1,0,0,0|2,0,0]=4 191 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [0,1,1,0,0,0|2,0,0]=4 192 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [0,1,1,0,0,0|2,0,0]=4 193 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [0,1,1,0,0,0|2,0,0]=4 194 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 A50349 [0,1,1,0,0,0|2,0,0]=4 195 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A50350 [0,1,1,0,0,0|2,0,0]=4 196 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A52173 [0,1,1,0,0,0|2,0,0]=4 197 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [0,1,1,0,0,0|2,0,0]=4 198 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 F52145 [0,1,1,0,0,0|2,0,0]=4 199 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 B50234 [0,1,1,0,0,0|2,0,0]=4 200 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 F52148 [0,1,1,0,0,0|2,0,0]=4 201 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 B50236 [0,1,1,0,0,0|2,0,0]=4 202 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 A46787 [0,1,1,0,0,0|2,0,0]=4 203 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46801 [0,1,1,0,0,0|2,0,0]=4 204 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46803 [0,1,1,0,0,0|2,0,0]=4 205 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A64410 [0,1,1,0,0,0|2,0,0]=4 206 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A66336 [0,1,1,0,0,0|2,0,0]=4 207 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 A49514 [0,1,1,0,0,0|2,0,0]=4 208 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 A49526 [0,1,1,0,0,0|2,0,0]=4 209 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 A46799 [0,1,1,0,0,0|2,0,0]=4 210 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46804 [0,1,1,0,0,0|2,0,0]=4 211 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46810 [0,1,1,0,0,0|2,0,0]=4 212 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A46820 [0,1,1,0,0,0|2,0,0]=4 213 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A49516 [0,1,1,0,0,0|2,0,0]=4 214 B11R1.23 N[C@H](CO)C1=CC=CC(I)=C1 A11985 [0,1,1,0,0,0|2,0,0]=4 215 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 C49388 [0,1,1,0,0,0|2,0,0]=4 216 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C36827 [0,1,1,0,0,0|2,0,0]=4 217 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,1,1,0,0,0|2,0,0]=4 218 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,1,1,0,0,0|2,0,0]=4 219 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,1,1,0,0,0|2,0,0]=4 220 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,1,1,0,0,0|1,0,1]=4 221 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,1,1,0,0,0|2,0,0]=4 222 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,1,1,0,0,0|2,0,0]=4 223 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,1,1,0,0,0|1,0,1]=4 224 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,1,1,0,0,0|2,0,0]=4 225 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,1,1,0,0,0|2,0,0]=4 226 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,1,1,0,0,0|1,0,1]=4 227 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,1,1,0,0,0|1,0,1]=4 228 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [0,1,1,0,0,0|0,0,2]=4 229 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [0,1,1,0,0,0|2,0,0]=4 230 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [0,1,1,0,0,0|1,0,0]=3 231 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [0,1,1,0,0,0|2,0,0]=4 232 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [0,1,1,0,0,0|2,0,0]=4 233 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [0,1,1,0,0,0|2,0,0]=4 234 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [0,1,1,0,0,0|2,0,0]=4 235 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 A69482 [0,1,1,0,0,0|1,0,1]=4 236 B11R1.222 N[C@H](CO)C1=C(Cl)C=CC=C1 A46809 [0,1,1,0,0,0|2,0,0]=4 237 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A46819 [0,1,1,0,0,0|2,0,0]=4 238 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A49515 [0,1,1,0,0,0|2,0,0]=4 239 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [0,1,1,0,0,0|1,0,0]=3 240 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [0,1,1,0,0,0|1,0,0]=3 241 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [0,1,1,0,0,0|1,0,0]=3 242 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [0,1,1,0,0,0|1,0,0]=3 243 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54075 [0,1,1,0,0,0|2,0,0]=4 244 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54252 [0,1,1,0,0,0|2,0,0]=4 245 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [0,1,1,0,0,0|2,0,0]=4 246 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [0,1,1,0,0,0|2,0,0]=4 247 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [0,1,1,0,0,0|2,0,0]=4 248 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [0,1,1,0,0,0|2,0,0]=4 249 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [0,1,1,0,0,0|1,0,0]=3 250 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C49149 [0,1,1,0,0,0|2,0,0]=4 251 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [0,1,1,0,0,0|1,0,0]=3 252 B11R1.1 FC1=CC=C(OCCBr)C=C1 B49139 [0,1,1,0,0,0|2,0,0]=4 253 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B51452 [0,1,1,0,0,0|0,0,2]=4 254 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [0,1,1,0,0,0|0,0,0]=2 255 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [0,1,1,0,0,0|0,0,0]=2 256 B11R1.1 NCCNC1=NC=C(Br)C=C1 B43690 [0,1,1,0,0,0|2,0,0]=4 257 B11R1.1 NCCOC1=CC=C(F)C=C1 F46812 [0,1,1,0,0,0|1,0,0]=3 258 B11R1.1 NCCOC1=CC=C(F)C=C1 F49512 [0,1,1,0,0,0|1,0,0]=3 259 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [0,1,1,0,0,0|1,0,1]=4 260 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [0,1,1,0,0,0|1,0,1]=4 261 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [0,1,1,0,0,0|1,0,0]=3 262 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [0,1,1,0,0,0|1,0,0]=3 263 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [0,1,1,0,0,0|1,0,0]=3 264 B11R1.17 CC1=C(NCCO)C=CC=C1 H50355 [0,1,1,0,0,0|2,0,0]=4 265 B11R1.17 CC1=C(OCCN)C=CC=C1 M50346 [0,1,1,0,0,0|1,0,0]=3 266 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [0,1,1,0,0,0|2,0,0]=4 267 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [0,1,1,0,0,0|1,0,0]=3 268 B11R1.24 CC1=CC=CC(CCCO)=C1 M66328 [0,1,1,0,0,0|1,0,0]=3 269 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 B54248 [0,1,1,0,0,0|2,0,0]=4 270 B11R1.24 CCNCC1=CC=CC(Br)=C1 E50224 [0,1,1,0,0,0|2,0,0]=4 271 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50239 [0,1,1,0,0,0|2,0,0]=4 272 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50242 [0,1,1,0,0,0|2,0,0]=4 273 B11R1.24 CCNCC1=CC=CC(F)=C1 F50251 [0,1,1,0,0,0|2,0,0]=4 274 B11R1.24 FCCOC1=CC=CC(F)=C1 D49152 [0,1,1,0,0,0|2,0,0]=4 275 B11R1.24 O=CCCC1=CC=CC(Br)=C1 B64250 [0,1,1,0,0,0|1,0,1]=4 276 B11R1.24 OCCCC1=CC=CC(Br)=C1 B50149 [0,1,1,0,0,0|1,0,0]=3 277 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [0,1,1,0,0,0|1,0,0]=3 278 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [0,1,1,0,0,0|1,0,0]=3 279 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [0,1,1,0,0,0|1,0,0]=3 280 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [0,1,1,0,0,0|1,0,1]=4 281 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [0,1,1,0,0,0|1,0,1]=4 282 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [0,1,1,0,0,0|2,0,0]=4 283 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [0,1,1,0,0,0|2,0,0]=4 284 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [0,1,1,0,0,0|1,0,0]=3 285 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [0,1,1,0,0,0|2,0,0]=4 286 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [0,1,1,0,0,0|0,0,2]=4 287 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [0,1,1,0,0,0|0,0,0]=2 288 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [0,1,1,0,0,0|0,0,0]=2 289 B11R1.28 NCCSSC1=NC=CC=C1 P37126 [0,1,1,0,0,0|2,0,0]=4 290 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [0,1,1,0,0,0|1,0,1]=4 291 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [0,1,1,0,0,0|1,0,1]=4 292 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [0,1,1,0,0,0|1,0,0]=3 293 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [0,1,1,0,0,0|2,0,0]=4 294 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [0,1,1,0,0,0|2,0,0]=4 295 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [0,1,1,0,0,0|2,0,0]=4 296 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [0,1,1,0,0,0|1,0,0]=3 297 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [0,1,1,0,0,0|1,0,1]=4 298 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,1,1,0,0,0|1,0,0]=3 299 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,1,1,0,0,0|1,0,0]=3 300 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,1,1,0,0,0|1,0,0]=3 301 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,1,1,0,0,0|1,0,0]=3 302 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,1,1,0,0,0|1,0,0]=3 303 B11R1.91 NC(=O)CSC1=CC=CC=C1 P10024 [0,1,1,0,0,0|1,0,1]=4 304 B11R1.91 NC(=O)OCC1=CC=CC=C1 B37832 [0,1,1,0,0,0|1,0,1]=4 305 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [0,1,1,0,0,0|1,0,1]=4 306 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [0,1,1,0,0,0|2,0,0]=4 307 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [0,1,1,0,0,0|2,0,0]=4 308 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [0,1,1,0,0,0|1,0,1]=4 309 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [0,1,1,0,0,0|1,0,1]=4 310 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [0,1,1,0,0,0|1,0,1]=4 311 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [0,1,1,0,0,0|1,0,0]=3 312 B11R1.20 CC(C)NC1=CC=C(F)C=C1 F50250 [0,1,1,0,0,0|2,0,0]=4 313 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [0,1,1,0,0,0|2,0,0]=4 314 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [0,1,1,0,0,0|2,0,0]=4 315 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 B49968 [0,1,1,0,0,0|2,0,0]=4 316 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [0,1,1,0,0,0|2,0,0]=4 317 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [0,1,1,0,0,0|1,0,0]=3 318 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [0,1,1,0,0,0|1,0,1]=4 319 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [0,1,1,0,0,0|1,0,1]=4 320 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [0,1,1,0,0,0|1,0,1]=4 321 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [0,1,1,0,0,0|1,0,1]=4 322 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [0,1,1,0,0,0|2,0,0]=4 323 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [0,1,1,0,0,0|2,0,0]=4 324 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P50385 [0,1,1,0,0,0|2,0,0]=4 325 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P60671 [0,1,1,0,0,0|2,0,0]=4 326 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [0,1,1,0,0,0|1,0,1]=4 327 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [0,1,1,0,0,0|1,0,1]=4 328 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [0,1,1,0,0,0|1,0,1]=4 329 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [0,1,1,0,0,0|1,0,1]=4 330 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [0,1,1,0,0,0|1,0,0]=3 331 B11R1.157 CC(C)OC1=CC(O)=CC=C1 M61115 [0,1,1,0,0,0|2,0,0]=4 332 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 B66115 [0,1,1,0,0,0|2,0,0]=4 333 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 B50233 [0,1,1,0,0,0|2,0,0]=4 334 B11R1.157 CN(C)CC1=CC=CC(O)=C1 D50353 [0,1,1,0,0,0|2,0,0]=4 335 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 A46654 [0,1,1,0,0,0|1,0,1]=4 336 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 C49034 [0,1,1,0,0,0|1,0,1]=4 337 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B37400 [0,1,1,0,0,0|2,0,0]=4 338 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 M37460 [0,1,1,0,0,0|2,0,0]=4 339 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60768 [0,1,1,0,0,0|2,0,0]=4 340 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60838 [0,1,1,0,0,0|2,0,0]=4 341 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 P38803 [0,1,1,0,0,0|2,0,0]=4 342 B11R2.34 BrC1=CC=C(C2CC2)C=C1 B32033 [1,1,0,0,0,0|0,0,0]=2 343 B11R2.34 BrC1=CN=C(C2CC2)C=C1 B38917 [1,1,0,0,0,0|1,0,0]=3 344 B11R2.34 BrC1=CN=C(C2CC2)N=C1 B15587 [1,1,0,0,0,0|2,0,0]=4 345 B11R2.34 BrC1=NC=C(C2CC2)C=C1 B48875 [1,1,0,0,0,0|1,0,0]=3 346 B11R2.34 BrC1=NC=C(C2CC2)N=C1 B64845 [1,1,0,0,0,0|2,0,0]=4 347 B11R2.34 ClC1=NN=C(C2CC2)C=C1 C45620 [1,1,0,0,0,0|2,0,0]=4 348 B11R2.34 FC1=CC=C([C@@H]2CO2)C=C1 F62188 [1,1,0,0,0,0|1,0,0]=3 349 B11R2.34 FC1=NC=C(C2CC2)C=C1 C48887 [1,1,0,0,0,0|1,0,0]=3 350 B11R2.34 NC1=CC=C(C2CC2)C=C1 C52090 [1,1,0,0,0,0|0,0,0]=2 351 B11R2.34 NC1=CN=C(C2CC2)C=C1 C46642 [1,1,0,0,0,0|1,0,0]=3 352 B11R2.34 NC1=CN=C(C2CC2)N=C1 A14646 [1,1,0,0,0,0|2,0,0]=4 353 B11R2.34 NC1=NC=C(C2CC2)C=C1 C46640 [1,1,0,0,0,0|1,0,0]=3 354 B11R2.34 O=C1C=CC(C2CC2)=NN1 C45982 [1,1,0,0,0,0|2,0,0]=4 355 B11R2.34 OC1=CC=C(C2CC2)C=C1 C49871 [1,1,0,0,0,0|0,0,0]=2 356 B11R2.34 OC1=NC=C(C2CC2)C=C1 C37180 [1,1,0,0,0,0|1,0,0]=3 357 B11R2.35 BrC1=CC(C2CC2)=CC=C1 B67707 [1,1,0,0,0,0|0,0,0]=2 358 B11R2.35 BrC1=CC(C2CC2)=NC=C1 B37241 [1,1,0,0,0,0|1,0,0]=3 359 B11R2.35 BrC1=CN=CC(C2CC2)=C1 B37616 [1,1,0,0,0,0|1,0,0]=3 360 B11R2.35 ClC1=NC=CC(C2CC2)=C1 C21734 [1,1,0,0,0,0|1,0,0]=3 361 B11R2.35 NC1=CC(C2CC2)=CC=C1 C49975 [1,1,0,0,0,0|0,0,0]=2 362 B11R2.35 NC1=CC(C2CC2)=CN=C1 C46641 [1,1,0,0,0,0|1,0,0]=3 363 B11R2.40 NC1(C2=CC=CC=C2)CC1 P64329 [1,1,0,0,0,0|0,0,0]=2 364 B11R2.40 NC1(C2=CC=CN=C2)CC1 P49656 [1,1,0,0,0,0|1,0,0]=3 365 B11R2.40 NC1(C2=CC=NC=C2)CC1 P8762 [1,1,0,0,0,0|1,0,0]=3 366 B11R2.40 NC1(C2=NC=CC=C2)CC1 P61647 [1,1,0,0,0,0|1,0,0]=3 367 B11R2.40 NC1(C2=NC=CC=N2)CC1 P14441 [1,1,0,0,0,0|2,0,0]=4 368 B11R2.40 NC1(C2=NC=CC=N2)CC1 P31233 [1,1,0,0,0,0|2,0,0]=4 369 B11R2.40 NC1(C2=NC=CN=C2)CC1 P14585 [1,1,0,0,0,0|2,0,0]=4 370 B11R2.55 BrC1=C(C2CC2)N=CC=C1 B48876 [1,1,0,0,0,0|1,0,0]=3 371 B11R2.55 BrC1=C(C2CC2)N=CN=C1 B45616 [1,1,0,0,0,0|2,0,0]=4 372 B11R2.55 BrC1=NC=CC=C1C2CC2 B48874 [1,1,0,0,0,0|1,0,0]=3 373 B11R2.55 ClC1=C(C2CC2)C=NC=C1 C48885 [1,1,0,0,0,0|1,0,0]=3 374 B11R2.55 ClC1=NC=CC=C1C2CC2 C48880 [1,1,0,0,0,0|1,0,0]=3 375 B11R2.55 FC1=NC=CC=C1C2CC2 C48886 [1,1,0,0,0,0|1,0,0]=3 376 B11R2.55 NC1=C(C2CC2)C=CC=C1 C37591 [1,1,0,0,0,0|0,0,0]=2 377 B11R2.55 NC1=NC=CC=C1C2CC2 C46639 [1,1,0,0,0,0|1,0,0]=3 378 B11R2.55 O=C1NC=CC=C1C2CC2 C49264 [1,1,0,0,0,0|1,0,0]=3 379 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 C13101 [0,1,0,0,0,1|1,0,1]=4 380 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O H51786 [0,1,0,0,0,1|1,0,1]=4 381 B13R2.219 FC1(F)CN[C@@H]1C2=CC=CC=C2 D60382 [0,1,0,0,0,1|1,0,0]=3 382 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P38188 [0,2,0,0,0,0|1,0,0]=3 383 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 P51791 [0,2,0,0,0,0|2,0,0]=4 384 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 P30012 [0,2,0,0,0,0|1,0,0]=3 385 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 P30011 [0,2,0,0,0,0|1,0,0]=3 386 B13R2.522 N[C@@H]1C[C@H]1C2=CC(F)=C(F)C=C2 D15495 [0,2,0,0,0,0|0,0,0]=2 387 B13R2.522 N[C@@H]1C[C@H]1C2=CC(F)=C(F)C=C2 D23370 [0,2,0,0,0,0|0,0,0]=2 388 B13R2.522 N[C@@H]1C[C@H]1C2=CC(F)=C(F)C=C2 D52233 [0,2,0,0,0,0|0,0,0]=2 389 B13R2.522 N[C@@H]1C[C@H]1C2=CC(F)=C(F)C=C2 D57399 [0,2,0,0,0,0|0,0,0]=2 390 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [0,0,1,1,0,0|0,0,2]=4 391 B11R2.1 CC1=NNC2=C1C=CC=C2 M1829 [0,0,1,1,0,0|1,0,1]=4 392 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,0,1,1,0,0|2,0,0]=4 393 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,0,1,1,0,0|2,0,0]=4 394 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,0,1,1,0,0|2,0,0]=4 395 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,0,1,1,0,0|2,0,0]=4 396 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,0,1,1,0,0|2,0,0]=4 397 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,0,1,1,0,0|2,0,0]=4 398 B11R2.239 C1=CN=C(C2CNC2)C=N1 A46337 [0,0,1,1,0,0|2,0,0]=4 399 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [0,0,1,1,0,0|1,0,0]=3 400 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,0,1,1,0,0|1,0,0]=3 401 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [0,0,1,1,0,0|2,0,0]=4 402 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [0,0,1,1,0,0|0,0,0]=2 403 B11R2.20 C1=CC2=C(C=C1)NCCN2 T46643 [0,0,1,1,0,0|1,0,0]=3 404 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [0,0,1,1,0,0|1,0,0]=3 405 B11R2.20 C1=CC2=C(C=C1)OCCN2 B67657 [0,0,1,1,0,0|1,0,0]=3 406 B11R2.20 C1=CC2=C(C=C1)SCCN2 D38749 [0,0,1,1,0,0|1,0,0]=3 407 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [0,0,1,1,0,0|2,0,0]=4 408 B11R2.20 C1=CC2=C(C=N1)CCCN2 T13324 [0,0,1,1,0,0|1,0,0]=3 409 B11R2.20 C1=CC2=C(N=C1)NCCO2 D45987 [0,0,1,1,0,0|2,0,0]=4 410 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [0,0,1,1,0,0|2,0,0]=4 411 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [0,0,1,1,0,0|1,0,0]=3 412 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [0,0,1,1,0,0|1,0,0]=3 413 B11R2.20 C1=CN=C2NCCNC2=C1 T46338 [0,0,1,1,0,0|2,0,0]=4 414 B11R2.20 C1=CN=C2OCCNC2=C1 D13943 [0,0,1,1,0,0|2,0,0]=4 415 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [0,0,1,1,0,0|1,0,0]=3 416 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [0,0,1,1,0,0|1,0,1]=4 417 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [0,0,1,1,0,0|0,0,2]=4 418 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [0,0,1,1,0,0|0,0,0]=2 419 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [0,0,1,1,0,0|0,0,0]=2 420 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [0,0,1,1,0,0|1,0,0]=3 421 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [0,0,1,1,0,0|1,0,1]=4 422 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [0,0,1,1,0,0|1,0,0]=3 423 B9R1.12 CCCCC1=CSC=C1 B47048 [0,0,1,0,1,0|2,0,0]=4 424 B9R1.12 ICCCC1=CC=CS1 K46278 [0,0,1,0,1,0|2,0,0]=4 425 B9R1.12 OCCCC1=CC=CS1 T36724 [0,0,1,0,1,0|2,0,0]=4 426 B9R2.2 C1=CC(C2CC2)=NN1 C3288 [1,0,0,0,1,0|2,0,0]=4 427 B9R2.2 C1=CN(C2CC2)N=C1 C43183 [1,0,0,0,1,0|2,0,0]=4 428 B9R2.2 C1=CNC(C2CC2)=N1 C1576 [1,0,0,0,1,0|2,0,0]=4 429 B9R2.2 C1=NC(C2CC2)=CN1 C11863 [1,0,0,0,1,0|2,0,0]=4 430 B9R2.2 C1=NNC=C1C2CC2 C43184 [1,0,0,0,1,0|2,0,0]=4 431 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 B10785 [0,0,0,0,0,2|1,0,0]=3 432 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 P13335 [0,0,0,0,0,2|1,0,1]=4 433 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 B0168 [0,0,0,0,0,2|2,0,0]=4 434 B13R2.10 BrC1=NO[C@H](C2=CC=CC=C2)C1 B5021 [0,0,0,0,0,2|1,0,1]=4 435 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 M30077 [0,0,0,0,0,2|1,0,0]=3 436 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 P32385 [0,0,0,0,0,2|1,0,1]=4 437 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 P61078 [0,0,0,0,0,2|1,0,1]=4 438 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 P11961 [0,0,0,0,0,2|1,0,1]=4 439 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 P51871 [0,0,0,0,0,2|1,0,1]=4 440 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P16573 [0,0,0,0,0,2|1,0,1]=4 441 B13R2.15 OC1COCC1C2=CC=CC=C2 P52796 [0,0,0,0,0,2|1,0,0]=3 442 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 P10576 [0,0,0,0,0,2|1,0,0]=3