0 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,0,0,0,0,0|1,0,3]=4 3 B10R1.15 C=C[S@](=O)C1=CC=CC=C1 V62500 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,0,0,0,0,0|1,0,1]=2 13 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [0,0,0,0,0,0|1,0,1]=2 14 B10R1.15 C\C(=N\O)C1=NC=CC=C1 M66365 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [0,0,0,0,0,0|1,0,2]=3 22 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [0,0,0,0,0,0|1,0,2]=3 24 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [0,0,0,0,0,0|1,0,3]=4 25 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [0,0,0,0,0,0|1,0,1]=2 26 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [0,0,0,0,0,0|1,0,2]=3 27 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.6 CC(=O)C1=CN=CN=C1 A7446 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.6 CC(=O)C1=CN=NC=C1 A10222 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 CC(=O)C1=NC=CC=N1 A8017 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.6 CC(=O)C1=NC=NC=C1 A12246 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.6 CC(=O)C1=NN=CC=C1 P0157 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [1,0,0,0,0,0|0,0,1]=2 46 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [1,0,0,0,0,0|0,0,1]=2 65 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.6 C[S@](=O)C1=NC=CC=C1 M43172 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.6 C[S@](=O)C1=NC=CC=N1 M41047 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [1,0,0,0,0,0|1,0,1]=3 73 B9R1.6 NC(=O)C1=NC=CC=C1 P60877 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.6 O=C(Cl)C1=CC=NC=C1 N39246 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.6 O=C(Cl)C1=NC=CC=C1 P42299 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.6 O=C(O)C1=NC=CC=C1 P62145 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.6 O=[S@]([O-])C1=CC=CC=C1 S68689 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.8 BrCCC1=CC=NC=C1 B46088 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.8 CC#CC1=CC=CC=C1 P68608 [1,0,0,0,0,0|1,0,2]=4 80 B9R1.8 CCCC1=NC=CC=C1 P46859 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.8 CNCC1=CC=NC=C1 M43623 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.8 CNNC1=CC=CC=C1 M46459 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.8 COCC1=NC=CC=C1 M46377 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [1,0,0,0,0,0|1,0,1]=3 85 B9R1.8 IC#CC1=CC=CC=C1 I1886 [1,0,0,0,0,0|1,0,2]=4 86 B9R1.8 N#CCC1=CN=CC=C1 P38543 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.8 N#CCC1=NC=CC=C1 P45196 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 N#COC1=CC=CC=C1 P44923 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.8 NCCC1=CC=CN=C1 P43605 [1,0,0,0,0,0|2,0,1]=4 90 B9R1.8 NCCC1=NC=CC=C1 P67673 [1,0,0,0,0,0|2,0,1]=4 91 B9R1.8 NNCC1=CC=CC=C1 B6123 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.8 NNCC1=CC=CC=C1 B68081 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.8 NNCC1=CC=CN=C1 H0097 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.8 NNCC1=CC=CN=C1 H36962 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.8 NNCC1=CC=NC=C1 H0096 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.8 NNCC1=CC=NC=C1 H26285 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.8 NNCC1=NC=CC=C1 H0098 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.8 NOCC1=CC=CC=C1 B68114 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.8 O=C=NC1=NC=CC=C1 C64750 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 O=COC1=CC=CC=C1 P45508 [1,0,0,0,0,0|1,0,0]=2 101 B9R1.8 OCCC1=CC=NC=C1 H46381 [1,0,0,0,0,0|1,0,2]=4 102 B9R1.8 OCCC1=CN=CC=C1 P46376 [1,0,0,0,0,0|1,0,2]=4 103 B9R1.8 ONCC1=CC=CC=C1 B36744 [1,0,0,0,0,0|1,0,1]=3 104 B9R1.8 ONCC1=CC=CC=C1 B46575 [1,0,0,0,0,0|1,0,1]=3 105 B9R1.8 O\N=C\C1=CC=CC=C1 B61148 [1,0,0,0,0,0|1,0,2]=4 106 B9R1.8 S=C=NC1=CC=CC=C1 T64712 [1,0,0,0,0,0|1,1,1]=4 107 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [1,0,0,0,0,0|1,0,1]=3 109 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 M64383 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.7 C#C[C@@](C)(O)C1=CC=CC=C1 P52408 [0,1,0,0,0,0|1,0,1]=3 111 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 V37846 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 M62343 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.7 CC(C)(CN)C1=CC=CC=C1 M53116 [0,1,0,0,0,0|1,0,1]=3 114 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 M52180 [0,1,0,0,0,0|0,0,2]=3 115 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [0,1,0,0,0,0|0,0,2]=3 117 B11R1.12 OCC(CO)C1=CC=CC=C1 P67660 [0,1,0,0,0,0|0,0,2]=3 118 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.16 CN(CCN)C1=CC=CC=C1 M52257 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.16 CN(CCO)C1=CC=CC=C1 M50351 [0,1,0,0,0,0|1,0,2]=4 123 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [0,1,0,0,0,0|1,0,2]=4 126 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [0,1,0,0,0,0|1,0,2]=4 127 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [0,1,0,0,0,0|1,0,2]=4 128 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X51560 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 A52174 [0,1,0,0,0,0|1,0,2]=4 133 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.22 C\C(=N\O)C1=CC=C(Cl)C=C1 C67180 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A38341 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46796 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 A46798 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 A46808 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46813 [0,1,0,0,0,0|1,0,2]=4 153 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 A46818 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 A49527 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 A46797 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 A46811 [0,1,0,0,0,0|1,0,2]=4 157 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A46821 [0,1,0,0,0,0|1,0,2]=4 158 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 A49517 [0,1,0,0,0,0|1,0,2]=4 159 B11R1.22 N[C@H](CO)C1=CC=C(O)C=C1 A49528 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 B47769 [0,1,0,0,0,0|1,0,1]=3 161 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 C47781 [0,1,0,0,0,0|1,0,1]=3 162 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [0,1,0,0,0,0|1,0,2]=4 163 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 A50349 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A50350 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.23 CC1=CC=CC([C@H](N)CO)=C1 A52173 [0,1,0,0,0,0|1,0,2]=4 166 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 F52145 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 B50234 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 F52148 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 B50236 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 A46787 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46801 [0,1,0,0,0,0|1,0,2]=4 173 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A46803 [0,1,0,0,0,0|1,0,2]=4 174 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A64410 [0,1,0,0,0,0|1,0,2]=4 175 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 A66336 [0,1,0,0,0,0|1,0,2]=4 176 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 A49514 [0,1,0,0,0,0|1,0,2]=4 177 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 A49526 [0,1,0,0,0,0|1,0,2]=4 178 B11R1.23 N[C@H](CO)C1=CC=CC(Br)=C1 A46799 [0,1,0,0,0,0|1,0,2]=4 179 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46804 [0,1,0,0,0,0|1,0,2]=4 180 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 A46810 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A46820 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 A49516 [0,1,0,0,0,0|1,0,2]=4 183 B11R1.23 N[C@H](CO)C1=CC=CC(I)=C1 A11985 [0,1,0,0,0,0|1,0,2]=4 184 B11R1.23 O=CC(=O)C1=CC=CC(F)=C1 F63112 [0,1,0,0,0,0|1,0,1]=3 185 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 C49388 [0,1,0,0,0,0|1,0,2]=4 186 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C36827 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 A51548 [0,1,0,0,0,0|0,0,2]=3 188 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 P69231 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [0,1,0,0,0,0|0,0,0]=1 193 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [0,1,0,0,0,0|1,0,2]=4 194 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [0,1,0,0,0,0|1,0,2]=4 195 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [0,1,0,0,0,0|0,0,0]=1 196 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [0,1,0,0,0,0|1,0,2]=4 197 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [0,1,0,0,0,0|1,0,2]=4 198 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 A68336 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 A46932 [0,1,0,0,0,0|1,0,2]=4 202 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 A69083 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.36 O=C(O)[C@H](Cl)C1=CC=CC=C1 C48589 [0,1,0,0,0,0|1,0,0]=2 205 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [0,1,0,0,0,0|1,0,1]=3 206 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.222 N[C@H](CO)C1=C(Cl)C=CC=C1 A46809 [0,1,0,0,0,0|1,0,2]=4 213 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A46819 [0,1,0,0,0,0|1,0,2]=4 214 B11R1.222 N[C@H](CO)C1=C(F)C=CC=C1 A49515 [0,1,0,0,0,0|1,0,2]=4 215 B11R2.1 BrC1=COC2=C1C=CC=C2 B47829 [0,0,0,1,0,0|1,0,2]=4 216 B11R2.1 BrC1=CSC2=C1C=CC=C2 B47535 [0,0,0,1,0,0|1,1,1]=4 217 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [0,0,0,1,0,0|1,0,1]=3 218 B11R2.1 CC1=CN=C2C=CC=CN12 M0025 [0,0,0,1,0,0|2,0,1]=4 219 B11R2.1 CC1=CNC2=C1C=CC=C2 M13894 [0,0,0,1,0,0|1,0,1]=3 220 B11R2.1 CC1=CNC2=C1C=NC=C2 M22503 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.1 CC1=CNC2=NC=CC=C12 M7858 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.1 CC1=NNC2=C1C=CC=C2 M1829 [0,0,0,1,0,0|2,0,1]=4 223 B11R2.1 CC1=NOC2=C1C=CC=C2 M68053 [0,0,0,1,0,0|1,0,2]=4 224 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [0,0,0,1,0,0|2,0,0]=3 225 B11R2.1 CN1C=CC2=NC=CC=C21 M36638 [0,0,0,1,0,0|3,0,0]=4 226 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [0,0,0,1,0,0|2,0,0]=3 227 B11R2.1 CN1N=CC2=C1C=CC=C2 M14463 [0,0,0,1,0,0|3,0,0]=4 228 B11R2.1 NN1C=CC2=C1C=CC=C2 K64885 [0,0,0,1,0,0|3,0,0]=4 229 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [0,0,0,1,0,0|2,0,1]=4 230 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [0,0,0,1,0,0|2,0,1]=4 231 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [0,0,0,1,0,0|2,0,1]=4 232 B11R2.1 O=[S@]1C=NC2=C1C=CC=C2 B45069 [0,0,0,1,0,0|3,0,0]=4 233 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [0,0,0,1,0,0|2,0,1]=4 234 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [0,0,0,1,0,0|2,0,1]=4 235 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [0,0,0,1,0,0|2,0,1]=4 236 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [0,0,0,1,0,0|1,0,1]=3 237 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [0,0,0,1,0,0|1,0,1]=3 238 B11R2.40 NC1(C2=CC=CC=C2)CC1 P64329 [0,0,0,1,0,0|2,0,1]=4 239 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [0,0,0,1,0,0|2,0,1]=4 240 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [0,0,0,1,0,0|0,0,2]=3 241 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [0,0,0,0,0,1|2,0,1]=4 242 B11R1.40 C=CC(=O)NC1=CC=CC=C1 P38034 [0,0,0,0,0,1|2,0,1]=4 243 B11R1.40 C=CC(=O)OC1=CC=CC=C1 P32241 [0,0,0,0,0,1|2,0,1]=4 244 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [0,0,0,0,0,1|1,0,1]=3 245 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,0,0,0,0,1|1,0,2]=4 246 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,0,0,0,0,1|1,0,2]=4 247 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,0,0,0,0,1|1,0,2]=4 248 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,0,0,0,0,1|1,0,2]=4 249 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,0,0,0,0,1|1,0,2]=4 250 B8R1.2 BrCC1=CC=NC=C1 B36897 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.2 BrCC1=CN=CC=C1 B23879 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.2 BrCC1=NC=CC=C1 B42841 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.2 CCC1=NC=CN=C1 E43180 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.2 CNC1=CC=CN=C1 M38086 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.2 CNC1=CC=NC=C1 M68620 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.2 COC1=CC=NC=C1 M9391 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.2 COC1=CN=CC=C1 M67978 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.2 COC1=NC=CC=C1 M39277 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.2 ClCC1=CC=NC=C1 C68845 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 ClCC1=NC=CC=C1 C67870 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.2 NCC1=CC=CN=C1 A69257 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.2 NCC1=CC=NC=C1 P67743 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.2 NNC1=CC=CC=C1 P68696 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 NOC1=CC=CC=C1 P43533 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.2 O=CC1=CC=NC=C1 P42598 [2,0,0,0,0,0|1,0,0]=3 266 B8R1.2 O=CC1=CN=CC=C1 P13753 [2,0,0,0,0,0|1,0,0]=3 267 B8R1.2 O=CC1=CN=CN=C1 F2817 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.2 O=CC1=CN=NC=C1 P7445 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 O=CC1=NC=CC=C1 P67836 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.2 O=CC1=NC=CC=N1 P0152 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 O=CC1=NC=CN=C1 P0148 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 O=CC1=NC=NC=C1 P40755 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.2 OCC1=CC=NC=C1 P43429 [2,0,0,0,0,0|1,0,1]=4 274 B8R1.2 OCC1=CC=NC=C1 P67894 [2,0,0,0,0,0|1,0,1]=4 275 B8R1.2 OCC1=CN=CC=C1 P15946 [2,0,0,0,0,0|1,0,1]=4 276 B8R1.2 OCC1=NC=CC=C1 P69303 [2,0,0,0,0,0|1,0,1]=4 277 B8R1.2 ONC1=CC=CC=C1 P67873 [2,0,0,0,0,0|1,0,1]=4 278 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [1,1,0,0,0,0|0,0,1]=3 279 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [1,1,0,0,0,0|0,0,1]=3 280 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [1,1,0,0,0,0|0,0,1]=3 281 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [1,1,0,0,0,0|0,0,1]=3 282 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [1,1,0,0,0,0|0,0,1]=3 283 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [1,1,0,0,0,0|0,0,1]=3 284 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [1,1,0,0,0,0|0,0,1]=3 285 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [1,1,0,0,0,0|0,0,1]=3 286 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.13 CC(C)C1=CC=C(Br)C=C1 B49963 [1,1,0,0,0,0|0,0,1]=3 297 B10R1.13 CC(C)C1=CC=C(N)C=C1 P69319 [1,1,0,0,0,0|0,0,1]=3 298 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [1,1,0,0,0,0|0,0,1]=3 299 B10R1.13 CC(C)C1=CC=C([Mg+])C=C1 P31759 [1,1,0,0,0,0|0,0,1]=3 300 B10R1.13 CC(C)C1=CN=C(Br)C=C1 B46728 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.13 CC(C)C1=CN=C(N)C=C1 P24474 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.13 CC(C)C1=NC=C(Br)C=C1 B32058 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.13 CC(C)C1=NC=C(N)C=C1 A12160 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [1,1,0,0,0,0|0,0,1]=3 306 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [1,1,0,0,0,0|0,0,1]=3 310 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 M49667 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.13 CC1=NC=C([C@H](C)O)C=C1 H64312 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 C46751 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.13 CN(C)C1=CC=C(I)C=C1 K46770 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.13 CN(C)C1=CC=C([Mg+])C=C1 D31762 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 B38580 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 C64533 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F46766 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 F49509 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.13 C[C@@H](N)C1=CN=C(Br)C=C1 B63698 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.13 C[C@@H](N)C1=NC=C(F)C=C1 F46566 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 B49428 [1,1,0,0,0,0|0,0,1]=3 325 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 C49454 [1,1,0,0,0,0|0,0,1]=3 326 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 F49461 [1,1,0,0,0,0|0,0,1]=3 327 B10R1.13 C[C@H](Br)C1=CC=C(F)C=C1 B36983 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46724 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B46735 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.13 C[C@H](N)C1=CC=C(Br)C=C1 B65383 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F36974 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 F64415 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46768 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 K46771 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 A46957 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46292 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 B46296 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F0635 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F46612 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 B49431 [1,1,0,0,0,0|0,0,1]=3 341 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49442 [1,1,0,0,0,0|0,0,1]=3 342 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 C49449 [1,1,0,0,0,0|0,0,1]=3 343 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 F49463 [1,1,0,0,0,0|0,0,1]=3 344 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [1,1,0,0,0,0|0,0,1]=3 345 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.13 FC(F)C1=CC=C(Cl)C=C1 C44732 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.13 FC(F)C1=CC=C(I)C=C1 D44733 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.13 NC1=CC=C(C(F)F)C=C1 D46546 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [1,1,0,0,0,0|1,0,1]=4 353 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 F68090 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 B42696 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.13 O=[S@]([O-])C1=CC=C(F)C=C1 S42324 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.28 CC(C)(N)C1=CC=CC=C1 P32201 [1,1,0,0,0,0|0,0,1]=3 359 B10R1.28 CC(C)(N)C1=NC=CC=C1 P32222 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.28 CC(C)(O)C1=CC=CC=C1 P24569 [1,1,0,0,0,0|0,0,1]=3 361 B10R1.28 CC(C)(O)C1=CN=CC=C1 P46904 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.28 CC(C)(O)C1=NC=CC=C1 P38223 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 M39415 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T68550 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 T69020 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 B69318 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.61 C=C(C)C1=C(N)C=CC=C1 P49976 [1,1,0,0,0,0|0,0,1]=3 368 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 B48708 [1,1,0,0,0,0|0,0,1]=3 369 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 B45470 [1,1,0,0,0,0|1,0,1]=4 370 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 A10416 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.61 CC(=O)C1=C(C)C=CC=C1 T39529 [1,1,0,0,0,0|0,0,1]=3 372 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 C68333 [1,1,0,0,0,0|0,0,1]=3 374 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 A11386 [1,1,0,0,0,0|1,0,1]=4 375 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 C16933 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.61 CC(=O)C1=C(F)C=CC=C1 F69325 [1,1,0,0,0,0|0,0,1]=3 377 B10R1.61 CC(=O)C1=C(F)C=CC=N1 A12617 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.61 CC(=O)C1=C(F)C=NC=C1 A12618 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.61 CC(=O)C1=C(I)C=CC=C1 K48750 [1,1,0,0,0,0|0,0,1]=3 380 B10R1.61 CC(=O)C1=C(N)C=CC=C1 A49645 [1,1,0,0,0,0|0,0,1]=3 381 B10R1.61 CC(=O)C1=C(N)C=NC=C1 A45980 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.61 CC(=O)C1=C(N)N=CC=C1 A45979 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.61 CC(=O)C1=C(O)C=NC=C1 H45819 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.61 CC(=O)C1=CC=CN=C1Br A13535 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.61 CC(=O)C1=CC=CN=C1Cl A12691 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.61 CC(=O)C1=CC=CN=C1F A45493 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.61 CC(=O)C1=CC=CNC1=O A45815 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.61 CC(=O)C1=CNC=CC1=O A45816 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.61 CC(=O)C1=NC=CC=C1O H37046 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [1,1,0,0,0,0|0,0,1]=3 391 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [1,1,0,0,0,0|0,0,1]=3 392 B10R1.61 CC(C)C1=C(N)C=CN=C1 P46960 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [1,1,0,0,0,0|0,0,1]=3 394 B10R1.61 CC(C)C1=CC=CN=C1Br B32081 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.61 CC(C)C1=NC=CC=C1N P46959 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.61 CC1=C(C(=O)O)C=CC=C1 T69330 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.61 CN(C)C1=C(Br)C=CC=C1 B46731 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.61 CN(C)C1=C(Cl)C=CC=C1 C46747 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.61 CN(C)C1=C(N)C=CC=C1 D68123 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.61 CN(C)C1=C(O)C=CC=C1 D23348 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B37416 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.61 C[C@@H](N)C1=C(Br)C=CC=C1 B46741 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F46764 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.61 C[C@@H](N)C1=C(F)C=CC=C1 F49507 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 B25268 [1,1,0,0,0,0|0,0,1]=3 409 B10R1.61 C[C@@H](O)C1=C(Cl)C=CC=C1 C49446 [1,1,0,0,0,0|0,0,1]=3 410 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 F49460 [1,1,0,0,0,0|0,0,1]=3 411 B10R1.61 C[C@H](Br)C1=C(F)C=CC=C1 B48765 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B19470 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46723 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 B46742 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 C46756 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F46760 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F49510 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 F64880 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 B49429 [1,1,0,0,0,0|0,0,1]=3 420 B10R1.61 C[C@H](O)C1=C(Br)C=CC=N1 B37274 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C49448 [1,1,0,0,0,0|0,0,1]=3 422 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 C66089 [1,1,0,0,0,0|0,0,1]=3 423 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 F49462 [1,1,0,0,0,0|0,0,1]=3 424 B10R1.61 C[C@H](O)C1=C(F)C=NC=C1 F46213 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.61 C[C@H](O)C1=CC=CN=C1Cl C46191 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.61 FC(F)C1=C(Br)C=CC=C1 B67317 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 B61279 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.61 NC(=O)C1=C(I)C=CC=C1 K45507 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.61 NC(=O)C1=C(N)C=CC=C1 A64967 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 K44672 [1,1,0,0,0,0|1,0,1]=4 432 B10R1.61 O=[N+]([O-])C1=C(F)C=CC=C1 F68062 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.61 OC1=C(C(F)F)C=CC=C1 D37751 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 B48877 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 A12880 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 B39012 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.113 CC(=O)C1=CC(C)=CC=C1 T39528 [1,1,0,0,0,0|0,0,1]=3 438 B10R1.113 CC(=O)C1=CC(C)=NC=C1 M49265 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 C0410 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.113 CC(=O)C1=CC(F)=CN=C1 F45496 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.113 CC(=O)C1=CC(N)=CC=C1 A68568 [1,1,0,0,0,0|0,0,1]=3 442 B10R1.113 CC(=O)C1=CC(O)=CC=C1 H60763 [1,1,0,0,0,0|0,0,1]=3 443 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A45468 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 C69069 [1,1,0,0,0,0|0,0,1]=3 445 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 C45483 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F48736 [1,1,0,0,0,0|0,0,1]=3 447 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F45497 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.113 CC(=O)C1=CC=CC(I)=C1 I37889 [1,1,0,0,0,0|0,0,1]=3 449 B10R1.113 CC(=O)C1=CN=CC(C)=C1 M63719 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.113 CC(=O)C1=NC(C)=CC=C1 A49259 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.113 CC(=O)C1=NC(N)=CC=C1 A37132 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 B45471 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.113 CC(=O)C1=NC=CC(C)=C1 M4575 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 C61244 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.113 CC(C)C1=CC(Br)=CN=C1 B32128 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.113 CC(C)C1=CC(Br)=NC=C1 B46727 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.113 CC(C)C1=CC=CC(Br)=C1 B49962 [1,1,0,0,0,0|0,0,1]=3 458 B10R1.113 CC(C)C1=CC=CC(Br)=N1 B46729 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C37539 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.113 CC(C)C1=CC=CC(N)=C1 P50307 [1,1,0,0,0,0|0,0,1]=3 461 B10R1.113 CC(C)C1=CC=CC([Mg+])=C1 P31758 [1,1,0,0,0,0|0,0,1]=3 462 B10R1.113 CC(C)C1=CN=CC(N)=C1 I32297 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.113 CC(C)C1=NC=CC(Br)=C1 B63808 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C39059 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.113 CC1=CC=CC(N(C)C)=C1 T39548 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T50311 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 T52159 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 T50309 [1,1,0,0,0,0|1,0,0]=3 469 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49538 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.113 CN(C)C1=CC(N)=CC=C1 D49665 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.113 CN(C)C1=CC=CC(Br)=C1 B68052 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.113 CN(C)C1=CC=CC(F)=C1 F46763 [1,1,0,0,0,0|1,0,1]=4 473 B10R1.113 CN(C)C1=CC=CC([Mg+])=C1 D31761 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.113 C[C@@H](N)C1=CC(Br)=NC=C1 B46295 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=C1 B46734 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.113 C[C@@H](N)C1=CC=CC(Br)=N1 B46291 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F46765 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.113 C[C@@H](N)C1=CC=CC(F)=C1 F49508 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.113 C[C@@H](N)C1=CC=CC(F)=N1 F46611 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A49524 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.113 C[C@@H](O)C1=CC=CC(Cl)=C1 C49447 [1,1,0,0,0,0|0,0,1]=3 482 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 C13483 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 F46567 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46739 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B46743 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 B64158 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 C46299 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F46761 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 F49511 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 F46568 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 A46961 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64155 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 A64991 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.113 C[C@H](O)C1=CC(N)=CC=C1 A46893 [1,1,0,0,0,0|0,0,1]=3 495 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 B49430 [1,1,0,0,0,0|0,0,1]=3 496 B10R1.113 C[C@H](O)C1=CC=CC(Br)=N1 B37443 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.113 C[C@H](O)C1=NC=CC(Cl)=C1 C46192 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.113 FC(F)C1=CC=CC(Br)=C1 B44723 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.113 NC(=O)C1=CC(O)=CC=C1 H45813 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.113 NC(=O)C1=CC=CC(Br)=C1 B45466 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.113 NC(=O)C1=CC=CC(F)=C1 F45492 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.113 NC1=CC=CC(C(=O)O)=C1 A69286 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.113 NC1=CC=CC([N+](=O)[O-])=C1 N43520 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=C1 C64820 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 B39364 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.113 O=C(O)C1=CC=CC(F)=C1 F68888 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.113 O=C(O)C1=CC=CC(I)=C1 K68155 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 F42253 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.1 CC1=CC=C(CC#N)C=C1 M39574 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.1 CC1=CC=C(CCBr)C=C1 B0463 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.1 CC1=CC=C(CCO)C=C1 T50265 [1,1,0,0,0,0|0,0,2]=4 512 B10R1.1 CC1=CC=C(CC[Mg+])C=C1 M31724 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.1 CC1=CC=C(CNN)C=C1 M49662 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.1 CCCC1=CC=C(Br)C=C1 B39542 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.1 CCCC1=CC=C(N)C=C1 P68566 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.1 CCCC1=CC=C([Mg+])C=C1 P31760 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.1 CNCC1=CC=C(Br)C=C1 B46738 [1,1,0,0,0,0|2,0,0]=4 518 B10R1.1 CNCC1=CC=C(Br)C=C1 M46740 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.1 CNCC1=CC=C(Cl)C=C1 C46755 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.1 CNCC1=CC=C(Cl)C=C1 M46757 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.1 ClC1=CC=C(CCBr)C=C1 B48760 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.1 FC1=CC=C(CCBr)C=C1 B13769 [1,1,0,0,0,0|1,0,1]=4 526 B10R1.1 FC1=CC=C(CC[Mg+])C=C1 F31725 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C69078 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.1 N#CCC1=CC=C(I)C=C1 K47988 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.1 N#CCC1=CC=C(N)C=C1 A67449 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.1 N#CCC1=CC=C(O)C=C1 H68900 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.1 NCCC1=CC=C(Cl)C=C1 C67656 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.1 NCCC1=CC=C(F)C=C1 F69101 [1,1,0,0,0,0|1,0,1]=4 533 B10R1.1 NNCC1=CC=C(Br)C=C1 B0093 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.1 NNCC1=CC=C(Br)C=C1 B12215 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.1 NNCC1=CC=C(Cl)C=C1 C0094 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.1 NNCC1=CC=C(Cl)C=C1 C10206 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.1 NNCC1=CC=C(F)C=C1 F0090 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.1 NOCC1=CC=C(Cl)C=C1 C64524 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.1 NOCC1=CC=C(F)C=C1 F46562 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.1 O=CCC1=CC=C(Br)C=C1 B48709 [1,1,0,0,0,0|0,0,0]=2 541 B10R1.1 O=CCC1=CC=C(Cl)C=C1 C48725 [1,1,0,0,0,0|0,0,0]=2 542 B10R1.1 OC1=CC=C(CCBr)C=C1 B49426 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.1 OCCC1=CC=C(Br)C=C1 B36776 [1,1,0,0,0,0|0,0,2]=4 544 B10R1.1 OCCC1=CC=C(Cl)C=C1 C39522 [1,1,0,0,0,0|0,0,2]=4 545 B10R1.1 OCCC1=CC=C(F)C=C1 F49459 [1,1,0,0,0,0|0,0,2]=4 546 B10R1.1 OCCC1=CC=C(I)C=C1 K49469 [1,1,0,0,0,0|0,0,2]=4 547 B10R1.1 [Mg+]CCC1=CC=C(Cl)C=C1 C31726 [1,1,0,0,0,0|1,0,1]=4 548 B10R1.4 CC1=C(CC#N)C=CC=C1 T69238 [1,1,0,0,0,0|1,0,1]=4 549 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,1,0,0,0,0|0,0,2]=4 550 B10R1.4 CNCC1=C(Br)C=CC=C1 B46737 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.4 CNCC1=C(Cl)C=CC=C1 C46748 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.4 CNCC1=C(F)C=CC=C1 F67727 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.4 N#CCC1=C(Br)C=CC=C1 B69236 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.4 N#CCC1=C(Cl)C=CC=C1 C39466 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.4 N#CCC1=C(F)C=CC=C1 F68569 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.4 N#CCC1=C(I)C=CC=C1 K47987 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.4 N#CCC1=C(N)C=CC=C1 A48786 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.4 NC1=C(CCO)C=CC=C1 A46894 [1,1,0,0,0,0|0,0,2]=4 561 B10R1.4 NCCC1=C(Br)C=CC=C1 B68553 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.4 NCCC1=C(Cl)C=CC=C1 C69206 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [1,1,0,0,0,0|1,0,1]=4 564 B10R1.4 NNCC1=C(Br)C=CC=C1 B10205 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.4 NNCC1=C(Br)C=CC=C1 B7428 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.4 NNCC1=C(Cl)C=CC=C1 C10207 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.4 NNCC1=C(F)C=CC=C1 F0092 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.4 NNCC1=C(F)C=CC=C1 F7427 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.4 NOCC1=C(F)C=CC=C1 F63413 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.4 OCCC1=C(Br)C=CC=C1 B16411 [1,1,0,0,0,0|0,0,2]=4 571 B10R1.4 OCCC1=C(Cl)C=CC=C1 C49443 [1,1,0,0,0,0|0,0,2]=4 572 B10R1.4 OCCC1=C(F)C=CC=C1 F49457 [1,1,0,0,0,0|0,0,2]=4 573 B10R1.4 OCCC1=C(I)C=CC=C1 K49472 [1,1,0,0,0,0|0,0,2]=4 574 B10R1.10 BrCCC1=CC=CC(Br)=C1 B23535 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.10 CC1=CC=CC(CC#N)=C1 M67706 [1,1,0,0,0,0|1,0,1]=4 576 B10R1.10 CC1=CC=CC(CCCl)=C1 C49969 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.10 CNCC1=CC(C)=CC=C1 M50313 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.10 CNCC1=CC(N)=CC=C1 M46965 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.10 CNCC1=CC=CC(Cl)=C1 C46754 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.10 ClC1=CC=CC(CCBr)=C1 C48759 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.10 N#CCC1=CC(N)=CC=C1 A48787 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.10 N#CCC1=CC=CC(Br)=C1 B23025 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C69079 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.10 N#CCC1=CC=CC(F)=C1 F39467 [1,1,0,0,0,0|1,0,1]=4 585 B10R1.10 N#CCC1=CC=CC(O)=C1 H48451 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.10 NCCC1=CC=CC(Br)=C1 B46722 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.10 NCCC1=CC=CC(Br)=C1 B68552 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.10 NCCC1=CC=CC(Cl)=C1 C10742 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.10 NCCC1=CC=CC(F)=C1 F38570 [1,1,0,0,0,0|1,0,1]=4 590 B10R1.10 NCCC1=CC=CC(F)=C1 F46762 [1,1,0,0,0,0|1,0,1]=4 591 B10R1.10 NCCC1=CC=CC(O)=C1 A49522 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.10 NNCC1=CC=CC(Br)=C1 B12216 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.10 NNCC1=CC=CC(Cl)=C1 C12217 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.10 NNCC1=CC=CC(Cl)=C1 C46306 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.10 NNCC1=CC=CC(F)=C1 F0091 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.10 NNCC1=CC=CC(F)=C1 F10204 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.10 OCCC1=CC=CC(Br)=C1 B22812 [1,1,0,0,0,0|0,0,2]=4 598 B10R1.10 OCCC1=CC=CC(Cl)=C1 C49444 [1,1,0,0,0,0|0,0,2]=4 599 B10R1.10 OCCC1=CC=CC(F)=C1 F49458 [1,1,0,0,0,0|0,0,2]=4 600 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,1,0,0,0,0|1,0,1]=4 601 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,1,0,0,0,0|1,0,1]=4 606 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,1,0,0,0,0|1,0,1]=4 608 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,1,0,0,0,0|1,0,1]=4 609 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [1,1,0,0,0,0|1,0,1]=4 611 B10R1.17 NCCNC1=CC=CC=C1 P61733 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.17 O=CC#CC1=CC=CC=C1 P68152 [1,1,0,0,0,0|0,0,1]=3 614 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.18 CC(=O)NC1=CN=CC=C1 P63567 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,1,0,0,0,0|0,0,0]=2 624 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.18 NC(=O)CC1=NC=CC=N1 P43092 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.18 O=C(O)CC1=CC=NC=C1 P46551 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.18 O=C(O)CC1=CN=CC=C1 P39426 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.18 O=C(O)CC1=CN=CN=C1 P12239 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.18 O=C(O)CC1=CN=NC=C1 P10225 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.18 O=C(O)CC1=NC=CC=C1 P18563 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.18 O=C(O)CC1=NC=CC=C1 P38331 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.18 O=C(O)CC1=NC=CC=N1 P0756 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.18 O=C(O)CC1=NC=NC=C1 P12245 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.18 O=C(O)CC1=NN=CC=C1 P12243 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.18 O=C([O-])CC1=CN=NC=C1 P10226 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.18 O=C([O-])CC1=NC=CC=N1 P7450 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.18 O=C([O-])CC1=NN=CC=C1 P27036 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.18 S=C(Cl)OC1=CC=CC=C1 P37341 [1,1,0,0,0,0|1,1,0]=4 641 B10R1.23 C[C@@H](C(=O)O)N1C=CC=C1 P46407 [0,1,0,0,1,0|1,0,0]=3 642 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 A11151 [0,1,0,0,1,0|2,0,0]=4 643 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 A43153 [0,1,0,0,1,0|2,0,0]=4 644 B10R1.23 N[C@H](C(=O)O)C1=CSC=C1 A43158 [0,1,0,0,1,0|2,0,0]=4 645 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B39587 [0,1,0,0,0,1|0,0,2]=4 646 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,1,0,0,0,1|0,0,0]=2 647 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,1,0,0,0,1|0,0,0]=2 648 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,1,0,0,0,1|0,0,0]=2 649 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O M62826 [0,1,0,0,0,1|1,0,1]=4 650 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,1,0,0,0,1|1,0,0]=3 651 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,1,0,0,0,1|1,0,0]=3 652 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,1,0,0,0,1|1,0,0]=3 653 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49500 [0,1,0,0,0,1|2,0,0]=4 654 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O A49660 [0,1,0,0,0,1|2,0,0]=4 655 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O A49659 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O A46684 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O A61463 [0,1,0,0,0,1|2,0,0]=4 658 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O A60776 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [0,1,0,0,0,1|1,0,0]=3 660 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,1,0,0,0,1|1,0,0]=3 661 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,1,0,0,0,1|1,0,0]=3 662 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,1,0,0,0,1|1,0,0]=3 663 B12R1.43 O=C([O-])N(O)CC1=CC=CC=C1 B49301 [0,1,0,0,0,1|2,0,0]=4 664 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [0,1,0,0,0,1|0,0,2]=4 665 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 A53136 [0,1,0,0,0,1|0,0,2]=4 666 B12R1.118 OCC(CO)CC1=CC=CC=C1 B66122 [0,1,0,0,0,1|0,0,2]=4 667 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 D60075 [0,1,0,0,0,1|1,0,1]=4 668 B12R1.9 CC(C)(C#N)C1=CC=C(Br)C=C1 B52357 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.9 CC(C)(C#N)C1=CC=C(N)C=C1 A9670 [0,2,0,0,0,0|1,0,1]=4 670 B12R1.9 CC1=CC=C(C(C)(C)C#N)C=C1 M65266 [0,2,0,0,0,0|1,0,1]=4 671 B12R1.10 CC(C)(C#N)C1=CC=CC(Br)=C1 B52356 [0,2,0,0,0,0|1,0,1]=4 672 B12R1.10 CC(C)(CO)C1=CC=CC(Br)=C1 B53017 [0,2,0,0,0,0|0,0,2]=4 673 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 M54755 [0,2,0,0,0,0|0,0,0]=2 674 B12R1.195 CC(C)(C#N)C1=C(Br)C=CC=C1 B52355 [0,2,0,0,0,0|1,0,1]=4 675 B12R1.195 CC(C)(C#N)C1=C(N)C=CC=C1 A37562 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 M39605 [0,2,0,0,0,0|0,0,0]=2 677 B12R1.253 C[C@](N)(C(=O)O)C1=CC=CC=C1 A50055 [0,2,0,0,0,0|0,0,0]=2 678 B12R1.253 O=C(O)C(F)(F)C1=NC=CC=C1 D10426 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.12 COC(OC)C1=CC=C(Cl)C=C1 C0943 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.478 CC(=O)[C@H](C#N)C1=NC=CC=C1 X51359 [0,2,0,0,0,0|1,0,1]=4 681 B12R1.478 CC[C@@H](C(=O)Cl)C1=CC=CC=C1 P52669 [0,2,0,0,0,0|0,0,0]=2 682 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 M68323 [0,2,0,0,0,0|0,0,0]=2 683 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 M49926 [0,2,0,0,0,0|0,0,0]=2 684 B12R1.478 N#C[C@@H](C(N)=O)C1=CC=CC=C1 C51349 [0,2,0,0,0,0|0,0,1]=3 685 B12R1.16 C=CC[C@@H](N)C1=CC=C(F)C=C1 F54124 [0,2,0,0,0,0|2,0,0]=4 686 B12R1.17 C=CC[C@H](N)C1=CC=CC(Cl)=C1 C62600 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.30 C#CCN[C@@H](C)C1=CC=CC=C1 P54604 [0,2,0,0,0,0|1,0,1]=4 688 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 X51780 [0,2,0,0,0,0|1,0,1]=4 689 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 P52545 [0,2,0,0,0,0|0,0,2]=4 690 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 P68692 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 P65406 [0,2,0,0,0,0|0,0,0]=2 692 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 P38479 [0,2,0,0,0,0|0,0,0]=2 693 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M52117 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 P69050 [0,2,0,0,0,0|0,0,0]=2 695 B12R1.107 C[C@@H](NC(N)=O)C1=CC=CC=C1 P65387 [0,2,0,0,0,0|0,0,0]=2 696 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 P65388 [0,2,0,0,0,0|0,0,0]=2 697 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A38671 [0,2,0,0,0,0|1,0,0]=3 698 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A52121 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A67450 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.107 N[C@@H](CC(=O)O)C1=CN=CC=C1 A46676 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A50069 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 A52115 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 H69518 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 S52053 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 A50054 [0,2,0,0,0,0|1,0,0]=3 706 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 C51931 [0,2,0,0,0,0|0,0,0]=2 707 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(F)C=C1 F51933 [0,2,0,0,0,0|0,0,0]=2 708 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(O)C=C1 H61953 [0,2,0,0,0,0|0,0,0]=2 709 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 A49658 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 A38631 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A48955 [0,2,0,0,0,0|1,0,0]=3 712 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 A69609 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A49615 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 A61587 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 A67693 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Cl)C=C1 A67722 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 A67501 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.20 O=C(O)C(=O)C1=CC=C(Br)C=C1 B47800 [0,2,0,0,0,0|1,0,1]=4 719 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 C47803 [0,2,0,0,0,0|1,0,1]=4 720 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 F47808 [0,2,0,0,0,0|1,0,1]=4 721 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 C48668 [0,2,0,0,0,0|1,0,0]=3 722 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 C48176 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C48666 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 C61967 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.20 O=C(O)[C@H](O)C1=CC=C(F)C=C1 F61925 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H37553 [0,2,0,0,0,0|1,0,0]=3 727 B12R1.20 O=C(O)[C@H](O)C1=CC=C(O)C=C1 H49119 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.20 O=C([O-])[C@H](O)C1=CC=C(O)C=C1 S49483 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.367 O=CC(=O)C1=CC(F)=C(F)C=C1 D47475 [0,2,0,0,0,0|1,0,1]=4 730 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 C51919 [0,2,0,0,0,0|0,0,0]=2 731 B12R1.225 C[C@H](C1=CC=CC(O)=C1)N(C)C D53145 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.225 NC1=CC=CC([C@@H](N)C(=O)O)=C1 A46679 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Br)=C1 A48925 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48954 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 A48962 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 A48960 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.225 O=C(O)C(=O)C1=CC=CC(Br)=C1 B47799 [0,2,0,0,0,0|1,0,1]=4 738 B12R1.225 O=C(O)C(=O)C1=CC=CC(F)=C1 F62229 [0,2,0,0,0,0|1,0,1]=4 739 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64552 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 C64588 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 F48687 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 M61518 [0,2,0,0,0,0|1,0,1]=4 743 B12R1.124 C[C@@H](C(=O)O)C1=C(Cl)C=CC=C1 C51918 [0,2,0,0,0,0|0,0,0]=2 744 B12R1.124 NC1=C(C(=O)C(=O)[O-])C=CC=C1 S49482 [0,2,0,0,0,0|1,0,1]=4 745 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 A49337 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.124 N[C@H](C(=O)O)C1=C(Cl)C=CC=C1 A39505 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.124 O=C(O)[C@@H](O)C1=C(Cl)C=CC=C1 C48667 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.124 O=C(O)[C@H](Br)C1=C(Cl)C=CC=C1 B39471 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.124 O=C(O)[C@H](O)C1=C(Cl)C=CC=C1 C67488 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.124 O=C(O)[C@H](O)C1=C(F)C=CC=C1 F61964 [0,2,0,0,0,0|1,0,0]=3 751 B10R1.20 C=CC1=C(C=O)C=CC=C1 V51543 [0,0,1,1,0,0|0,0,2]=4 752 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P68601 [1,0,0,1,0,0|0,0,1]=3 753 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P68362 [1,0,0,1,0,0|0,0,1]=3 754 B10R2.320 Br[C@H]1CC2=C1C=CC=C2 B68954 [1,0,0,1,0,0|1,0,0]=3 755 B10R2.320 O=C1CC2=C1C=CC=C2 B36727 [1,0,0,1,0,0|0,0,1]=3 756 B10R2.7 C1=CC2=C(C=C1)CNC2 D64953 [1,0,0,1,0,0|2,0,0]=4 757 B10R2.7 C1=CC2=C(C=C1)NC=N2 B69282 [1,0,0,1,0,0|2,0,0]=4 758 B10R2.7 C1=CC2=C(C=C1)OC=N2 B39360 [1,0,0,1,0,0|1,0,1]=4 759 B10R2.7 C1=CC2=C(C=C1)OCC2 D65079 [1,0,0,1,0,0|0,0,2]=4 760 B10R2.7 C1=CC2=C(C=C1)SC=N2 B68567 [1,0,0,1,0,0|1,1,0]=4 761 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 B62060 [0,0,0,1,0,1|1,0,1]=4 762 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)S1 B37673 [0,0,0,1,0,1|1,0,1]=4 763 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [0,0,0,1,0,1|1,0,1]=4 764 B12R2.18 CN1N=C2C=CC=CC2=C1Br B14973 [0,0,0,1,0,1|2,0,0]=4 765 B12R2.18 CN1N=C2C=CC=CC2=C1I I14461 [0,0,0,1,0,1|2,0,0]=4 766 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,0,0,1,0,1|0,0,0]=2 767 B12R2.24 CC1=CC2=CC=CC=C2N=C1 M68883 [0,0,0,1,0,1|1,0,1]=4 768 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,0,0,1,0,1|1,0,1]=4 769 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,0,0,1,0,1|1,0,1]=4 770 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [0,0,0,1,0,1|0,0,2]=4 771 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 E64385 [0,0,0,1,0,1|1,0,1]=4 772 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [0,0,0,1,0,1|2,0,0]=4 773 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 I38005 [0,0,0,1,0,1|0,0,2]=4 774 B12R2.32 O=CC1=CC2=C(C=CC=C2)O1 B50964 [0,0,0,1,0,1|0,0,2]=4 775 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 B37929 [0,0,0,1,0,1|0,0,2]=4 776 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 B23090 [0,0,0,1,0,1|1,0,1]=4 777 B12R2.32 O=CC1=NC2=C(C=CC=C2)S1 B9216 [0,0,0,1,0,1|1,0,1]=4 778 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [0,0,0,1,0,1|0,0,2]=4 779 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,0,0,1,0,1|0,0,2]=4 780 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 P11527 [0,0,0,1,0,1|1,0,1]=4 781 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 P53837 [0,1,0,1,0,0|1,0,1]=4 782 B12R2.116 NC1(C2=CC=CC=C2)CCC1 P69467 [0,1,0,1,0,0|1,0,1]=4 783 B12R2.116 NC1(C2=CC=CC=C2)COC1 P7034 [0,1,0,1,0,0|0,0,2]=4 784 B12R2.116 OC1(C2=CC=CC=C2)CNC1 H11459 [0,1,0,1,0,0|1,0,1]=4 785 B12R2.116 OC1(C2=CC=CC=C2)COC1 P1182 [0,1,0,1,0,0|0,0,2]=4 786 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 D15351 [0,1,0,1,0,0|1,0,1]=4 787 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 D10522 [0,1,0,1,0,0|2,0,0]=4 788 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 E64384 [0,1,0,1,0,0|1,0,1]=4 789 B12R2.1 ClCC1=COC2=C1C=CC=C2 C51318 [0,1,0,1,0,0|0,0,2]=4 790 B12R2.1 NCC1=CNC2=C1C=CC=C2 K22443 [0,1,0,1,0,0|1,0,1]=4 791 B12R2.1 O=CC1=COC2=C1C=CC=C2 B23789 [0,1,0,1,0,0|0,0,2]=4 792 B12R2.1 O=CC1=CSC2=C1C=CC=C2 B67477 [0,1,0,1,0,0|0,0,2]=4 793 B12R2.1 O=CC1=NNC2=C1C=CC=C2 K9332 [0,1,0,1,0,0|1,0,1]=4 794 B12R2.1 OCC1=CNC2=C1C=CC=C2 I4626 [0,1,0,1,0,0|1,0,1]=4 795 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [0,1,0,1,0,0|1,0,1]=4 796 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [0,1,0,1,0,0|1,0,1]=4 797 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [0,1,0,1,0,0|1,0,1]=4 798 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [0,1,0,1,0,0|1,0,1]=4 799 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [0,1,0,1,0,0|1,0,1]=4 800 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [0,1,0,1,0,0|1,0,1]=4 801 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [0,1,0,1,0,0|1,0,1]=4 802 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [0,1,0,1,0,0|1,0,1]=4 803 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [0,1,0,1,0,0|1,0,1]=4 804 B12R2.22 NC1CC(C2=CC=CC=C2)C1 P15206 [0,1,0,1,0,0|1,0,1]=4 805 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 P11821 [0,1,0,1,0,0|1,0,1]=4 806 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 P15205 [0,1,0,1,0,0|0,0,0]=2 807 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M54143 [0,1,0,1,0,0|1,0,1]=4 808 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M67524 [0,1,0,1,0,0|1,0,1]=4 809 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M52878 [0,1,0,1,0,0|1,0,1]=4 810 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 M54141 [0,1,0,1,0,0|1,0,1]=4 811 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 M54144 [0,1,0,1,0,0|1,0,1]=4 812 B12R2.2028 CC1=CN(C)C2=C1C=CC=C2 D52502 [0,1,0,1,0,0|1,0,1]=4 813 B12R2.2028 CN1C=[N+](C)C2=C1C=CC=C2 D49693 [0,1,0,1,0,0|2,0,0]=4 814 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 B12796 [0,1,0,1,0,0|2,0,0]=4 815 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 I14462 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 M48798 [0,1,0,1,0,0|1,0,0]=3 817 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 A48795 [0,1,0,1,0,0|1,0,0]=3 818 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 I36660 [0,1,0,1,0,0|1,0,1]=4 819 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 B47761 [0,1,0,1,0,0|1,0,0]=3 820 B12R2.2028 O=C1O[C@H](O)C2=C1C=CC=C2 H37964 [0,1,0,1,0,0|1,0,0]=3 821 B12R2.2028 O=C1O[IH2](Cl)C2=C1C=CC=C2 C15861 [0,1,0,1,0,0|2,0,0]=4 822 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 H31866 [0,1,0,1,0,0|2,0,0]=4 823 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 P60753 [0,1,0,1,0,0|1,0,1]=4 824 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(O)C=C2 A29485 [0,1,0,1,0,0|1,0,1]=4 825 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 M25577 [0,1,0,1,0,0|1,0,1]=4 826 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 B51447 [0,1,0,1,0,0|2,0,0]=4 827 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 M16073 [0,1,0,1,0,0|2,0,0]=4 828 B12R2.612 CN1C=CC2=C1C=CC(O)=C2 M37572 [0,1,0,1,0,0|2,0,0]=4 829 B12R2.612 CN1C=CC2=C1C=CC([Mg+])=C2 M8400 [0,1,0,1,0,0|2,0,0]=4 830 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 B48313 [0,1,0,1,0,0|2,0,0]=4 831 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 M49200 [0,1,0,1,0,0|2,0,0]=4 832 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 M38761 [0,1,0,1,0,0|2,0,0]=4 833 B12R2.2302 BrC1=CC=C(C2COC2)C=C1 B8588 [0,1,0,1,0,0|0,0,2]=4 834 B12R2.2302 NC1=CC=C(C2COC2)C=C1 X17674 [0,1,0,1,0,0|0,0,2]=4 835 B12R2.132 CC1=CC2=C(C=C1)N=CN2C D49714 [0,1,0,1,0,0|2,0,0]=4 836 B12R2.132 CC1=CNC2=C1C=C(Br)C=C2 B15960 [0,1,0,1,0,0|1,0,1]=4 837 B12R2.132 CC1=CNC2=C1C=C(Cl)C=C2 C12130 [0,1,0,1,0,0|1,0,1]=4 838 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 F4725 [0,1,0,1,0,0|1,0,1]=4 839 B12R2.132 CN1C=CC2=C1C=C(Br)C=C2 B51448 [0,1,0,1,0,0|2,0,0]=4 840 B12R2.132 CN1C=CC2=C1C=C(N)C=C2 M52056 [0,1,0,1,0,0|2,0,0]=4 841 B12R2.132 CN1C=NC2=C1C=C(Br)C=C2 B48316 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.132 CN1C=NC2=C1C=C(N)C=C2 M49207 [0,1,0,1,0,0|2,0,0]=4 843 B12R2.196 CC1=CNC2=C(N)C=CC=C12 M16465 [0,1,0,1,0,0|1,0,1]=4 844 B12R2.196 CN1C=CC2=C(Br)C=CC=C21 B10874 [0,1,0,1,0,0|2,0,0]=4 845 B12R2.196 CN1C=CC2=C(O)C=CC=C21 M60832 [0,1,0,1,0,0|2,0,0]=4 846 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 B37518 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.196 CN1C=NC2=C(N)C=CC=C21 M49206 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 B8384 [0,1,0,1,0,0|0,0,2]=4 849 B12R2.203 CC1=CNC2=C1C(N)=CC=C2 M25969 [0,1,0,1,0,0|1,0,1]=4 850 B12R2.203 CC1=CNC2=CC=CC(Br)=C12 B23812 [0,1,0,1,0,0|1,0,1]=4 851 B12R2.203 CN1C=NC2=CC=CC(Br)=C21 B48318 [0,1,0,1,0,0|2,0,0]=4 852 B8R1.7 CC(=O)C1=CC=CN1 P68619 [1,0,0,0,1,0|1,0,1]=4 853 B8R1.7 CC(=O)C1=CC=CS1 A69304 [1,0,0,0,1,0|1,0,1]=4 854 B8R1.7 CC(=O)C1=CNC=C1 A37548 [1,0,0,0,1,0|1,0,1]=4 855 B8R1.7 CC(=O)C1=CSC=C1 A12828 [1,0,0,0,1,0|1,0,1]=4 856 B8R1.7 CC(C)C1=CC=CO1 P43710 [1,0,0,0,1,0|1,0,1]=4 857 B8R1.7 C[C@@H](N)C1=CC=CS1 T43397 [1,0,0,0,1,0|2,0,0]=4 858 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [1,0,0,0,1,0|1,0,1]=4 859 B8R1.7 C[C@H](N)C1=CC=CS1 T43555 [1,0,0,0,1,0|2,0,0]=4 860 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [0,0,0,0,0,2|0,0,2]=4 861 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [0,0,0,0,0,2|0,0,2]=4 862 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [0,0,0,0,0,2|0,0,2]=4 863 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [0,0,0,0,0,2|0,0,2]=4