0 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 CNC(=O)CC1=CN=CC=C1 M46657 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 COC(=O)CC1=CC=NC=C1 M22906 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 COC(=O)CC1=CN=CC=C1 M12485 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 COC(=O)CC1=NC=CC=C1 M12486 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.40 NNC(=O)CC1=CC=NC=C1 P9939 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 P69082 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 A38136 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P64903 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 B50151 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.40 OC[C@@H](Cl)CC1=CC=CC=C1 C50161 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 BrCCCC1=CC=CC=C1 B49960 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 BrCCOC1=CC=CC=C1 B68804 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 C#CCCC1=CC=CC=C1 P62501 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.17 C=CCOC1=CC=CC=C1 A68573 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.17 C=COCC1=CC=CC=C1 B26636 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.17 CCCCC1=CC=NC=C1 B50306 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 CCCC[N+]1=CC=CC=C1 B52268 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.17 CCCOC1=CC=CC=C1 P50263 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.17 CCNCC1=CC=CC=C1 B39547 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.17 CCNCC1=NC=CC=C1 P46970 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 CCOCC1=CC=CC=C1 E50267 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.17 CNCCC1=CC=CN=C1 M46974 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.17 ClCCOC1=CC=CC=C1 C39521 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.17 ClCCSC1=CC=CC=C1 C49161 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.17 N#CCOC1=CC=CC=C1 P48439 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 NCCCC1=CC=NC=C1 P46966 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.17 NCCNC1=CC=CC=C1 P61733 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 NCCOC1=CC=CC=C1 P46889 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.17 OCCCC1=CC=NC=C1 P46905 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.17 OCCCC1=NC=CC=C1 P62447 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.17 OCCCC1=NC=CC=C1 P7829 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.17 [Mg+]CCCC1=CC=CC=C1 P31712 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 B9123 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.18 CC(=O)CC1=CC=NC=C1 P49256 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.18 CC(=O)NC1=CC=CC=C1 A60649 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.18 CC(C)=CC1=CC=CC=C1 M52675 [1,0,0,0,0,0|0,0,2]=3 40 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.18 CC(C)NC1=NC=CC=N1 I39098 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.18 FC(F)OC1=CC=CC=C1 D45605 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.18 N=C(N)CC1=CC=CC=C1 P22633 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.18 N=C(N)NC1=CC=CC=C1 P49691 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.18 NC(=O)CC1=CC=CC=C1 P69172 [1,0,0,0,0,0|1,0,1]=3 48 B10R1.18 NC(=O)CC1=CN=CC=C1 P45977 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.18 NC(=O)OC1=CC=CC=C1 P45812 [1,0,0,0,0,0|2,0,1]=4 50 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.32 CN(CCO)CC1=CC=CC=C1 B39619 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 M52118 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 M60693 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 M52797 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M68802 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 M69157 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 M69044 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.34 CON(C)C(=O)C1=CC=CC=C1 M50046 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 M54757 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 A54150 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)Cl P51914 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O P69450 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 A67883 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A52116 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O P69134 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.43 O=C(Cl)[C@@H](Br)CC1=CC=CC=C1 B6285 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 B8639 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 H49929 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H49928 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 M7569 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 M51915 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 M51939 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 M63040 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 M23468 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 F49198 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 A52152 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 A69484 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 M62750 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M50058 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 M52112 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 M49922 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 M51891 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 M51916 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 M51938 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 A50259 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.118 CCN(CC)CC1=CC=CC=C1 B60762 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [0,1,0,0,0,0|0,0,0]=1 89 B12R1.118 NC[C@@H](CO)CC1=CC=CC=C1 A53136 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.118 OCC(CO)CC1=CC=CC=C1 B66122 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 D60075 [0,1,0,0,0,0|1,0,1]=3 92 B12R1.371 COC(=O)CC1=C(Br)C=CC=C1 M51890 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.371 COC(=O)CC1=C(C)C=CC=C1 M62751 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.371 COC(=O)CC1=C(Cl)C=CC=C1 C61032 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M50057 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 M52111 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 M37939 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.371 N[C@H](CO)CC1=C(Cl)C=CC=C1 A50258 [0,1,0,0,0,0|3,0,0]=4 99 B12R2.18 CC1=C(C)C2=C(C=CC=C2)N1 D68340 [0,0,0,1,0,0|2,0,1]=4 100 B12R2.18 CC1=CC2=C(C=CC=C2)N1C D26007 [0,0,0,1,0,0|0,0,2]=3 101 B12R2.18 CC1=NC2=C(C=NC=C2)N1C D49210 [0,0,0,1,0,0|2,0,1]=4 102 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 M20444 [0,0,0,1,0,0|2,0,1]=4 103 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 M48815 [0,0,0,1,0,0|2,0,1]=4 104 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 M38994 [0,0,0,1,0,0|1,0,2]=4 105 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 M61297 [0,0,0,1,0,0|2,0,1]=4 106 B12R2.18 C[C@H]1CC2=C(C=CC=C2)C1=O M4716 [0,0,0,1,0,0|2,0,0]=3 107 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O A18987 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O A10679 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,0,0,1,0,0|2,0,1]=4 110 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,0,0,1,0,0|2,0,0]=3 111 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,0,0,1,0,0|2,0,0]=3 113 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 T50166 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,0,0,1,0,0|2,0,0]=3 115 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,0,0,1,0,0|2,0,0]=3 116 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 T37224 [0,0,0,1,0,0|3,0,0]=4 117 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C39572 [0,0,0,1,0,0|2,0,1]=4 118 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 D48807 [0,0,0,1,0,0|2,0,1]=4 119 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 T60427 [0,0,0,1,0,0|3,0,0]=4 120 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,0,0,1,0,0|2,0,0]=3 121 B12R2.27 OCC1CC1C2=CC=CC=C2 P52781 [0,0,0,1,0,0|2,0,0]=3 122 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 E64385 [0,0,0,1,0,0|1,0,1]=3 123 B12R2.32 CNC1=NC2=C(C=CC=C2)N1 M49208 [0,0,0,1,0,0|2,0,1]=4 124 B12R2.32 CNC1CC2=C(C=CC=C2)C1 M62130 [0,0,0,1,0,0|0,0,0]=1 125 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 D15699 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 D49898 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 P11527 [0,0,0,1,0,0|3,0,0]=4 128 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [0,0,0,0,1,0|1,0,1]=3 129 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [0,0,0,0,1,0|2,0,1]=4 130 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [0,0,0,0,1,0|1,0,2]=4 131 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [0,0,0,0,1,0|2,0,0]=3 132 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [0,0,0,0,1,0|3,0,0]=4 133 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [0,0,0,0,1,0|3,0,0]=4 134 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [0,0,0,0,1,0|0,0,0]=1 135 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [0,0,0,0,1,0|0,0,0]=1 136 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [0,0,0,0,1,0|3,0,0]=4 137 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [0,0,0,0,1,0|2,0,0]=3 138 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [0,0,0,0,1,0|2,0,0]=3 139 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [0,0,0,0,1,0|2,0,0]=3 140 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [0,0,0,0,1,0|1,0,0]=2 141 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [0,0,0,0,1,0|3,0,0]=4 142 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [0,0,0,0,1,0|3,0,0]=4 143 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [0,0,0,0,1,0|3,0,0]=4 144 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [0,0,0,0,1,0|2,0,1]=4 145 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [0,0,0,0,1,0|3,0,0]=4 146 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [0,0,0,0,1,0|3,0,0]=4 147 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [0,0,0,0,1,0|3,0,0]=4 148 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [0,0,0,0,1,0|3,0,0]=4 149 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [0,0,0,0,1,0|3,0,0]=4 150 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [0,0,0,0,1,0|3,0,0]=4 151 B12R1.27 COC(=O)CCC1=CC=CC=C1 M39604 [0,0,0,0,0,1|2,0,1]=4 152 B12R1.27 COC(=O)COC1=CC=CC=C1 M37813 [0,0,0,0,0,1|2,0,1]=4 153 B12R1.27 COC(=O)NCC1=CC=CC=C1 M50032 [0,0,0,0,0,1|2,0,1]=4 154 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B53141 [0,0,0,0,0,1|2,0,0]=3 155 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 B67328 [0,0,0,0,0,1|2,0,0]=3 156 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 B53085 [0,0,0,0,0,1|2,0,0]=3 157 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 B53140 [0,0,0,0,0,1|2,0,0]=3 158 B12R1.27 NNC(=O)OCC1=CC=CC=C1 B68841 [0,0,0,0,0,1|2,0,1]=4 159 B9R1.8 BrCCC1=CC=NC=C1 B46088 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.8 CC#CC1=CC=CC=C1 P68608 [2,0,0,0,0,0|0,0,2]=4 161 B9R1.8 CCCC1=NC=CC=C1 P46859 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.8 CCCC1=NC=CN=C1 P43598 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.8 CCOC1=NC=CC=C1 E46369 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.8 CNCC1=CC=NC=C1 M43623 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.8 CNCC1=CN=CN=C1 N11436 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.8 CNCC1=CN=NC=C1 M12238 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.8 CNCC1=CN=NC=C1 M27035 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.8 CNCC1=NC=CC=N1 M14362 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.8 CNCC1=NC=CC=N1 M31227 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.8 CNCC1=NC=CN=C1 M14584 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.8 CNNC1=CC=CC=C1 M46459 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.8 COCC1=NC=CC=C1 M46377 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [2,0,0,0,0,0|0,0,2]=4 174 B9R1.8 NCCC1=CC=CN=C1 P43605 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.8 NCCC1=NC=CC=C1 P67673 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.8 NCCC1=NC=NC=C1 P14666 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.8 NCCC1=NC=NC=C1 P29961 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.8 NNCC1=CC=CC=C1 B6123 [2,0,0,0,0,0|1,0,0]=3 179 B9R1.8 NNCC1=CC=CC=C1 B68081 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.8 NNCC1=CC=CN=C1 H0097 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.8 NNCC1=CC=CN=C1 H36962 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.8 NNCC1=CC=NC=C1 H0096 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.8 NNCC1=CC=NC=C1 H26285 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.8 NNCC1=NC=CC=C1 H0098 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.8 NOCC1=CC=CC=C1 B68114 [2,0,0,0,0,0|1,0,0]=3 186 B9R1.8 OCCC1=CC=NC=C1 H46381 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.8 OCCC1=CN=CC=C1 P46376 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.8 ONCC1=CC=CC=C1 B36744 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.8 ONCC1=CC=CC=C1 B46575 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [2,0,0,0,0,0|0,0,2]=4 191 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [2,0,0,0,0,0|1,0,0]=3 192 B11R1.1 BrCCCC1=CC=C(Br)C=C1 B49699 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.1 CCCCC1=CC=C(Br)C=C1 B68752 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.1 CCCCC1=CC=C(N)C=C1 B39618 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.1 CCCCC1=CC=C([Mg+])C=C1 B31783 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54075 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.1 CCCC[N+]1=CC=C(C)C=C1 B54252 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.1 CCNCC1=CC=C(Br)C=C1 E50225 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.1 CCNCC1=CC=C(C)C=C1 M53114 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.1 CCNCC1=CC=C(Cl)C=C1 E50238 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.1 COCCC1=CC=C(O)C=C1 H67272 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.1 ClC1=CC=C(CCCBr)C=C1 B49700 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.1 FC1=CC=C(CCCI)C=C1 F49704 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.1 N#CCCC1=CC=C(Br)C=C1 B51452 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.1 NCCCC1=CC=C(Cl)C=C1 C50240 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.1 NCCCC1=CC=C(F)C=C1 F52144 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.1 O=CCCC1=CC=C(Br)C=C1 B52022 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.1 O=CCCC1=CC=C(O)C=C1 H60513 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.1 OCCCC1=CC=C(Br)C=C1 B37932 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.1 OCCCC1=CC=C(Cl)C=C1 C50159 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.1 OCCCC1=CC=C(O)C=C1 H37679 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 P54139 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P37698 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 P52255 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.17 CCCOC1=C(O)C=CC=C1 P50279 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.17 OCCCC1=C(Br)C=CC=C1 B50150 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.24 CC1=CC=CC(CCCO)=C1 M66328 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 B54248 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.24 CCNCC1=CC=CC(Br)=C1 E50224 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50239 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.24 CCNCC1=CC=CC(Cl)=C1 C50242 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.24 CCNCC1=CC=CC(F)=C1 F50251 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.24 COCOC1=CC=CC(F)=C1 F49397 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.24 O=CCCC1=CC=CC(Br)=C1 B64250 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.24 OCCCC1=CC=CC(Br)=C1 B50149 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.28 BrCCCCC1=CC=CC=C1 B52867 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.28 BrCCCOC1=CC=CC=C1 B39545 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.28 BrCCOCC1=CC=CC=C1 B19978 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.28 C#CCOCC1=CC=CC=C1 P52414 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.28 C=CCOCC1=CC=CC=C1 A52780 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.28 CCCCCC1=CC=CN=C1 P53110 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.28 CCCCCC1=NC=CC=C1 P53109 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.28 CCCNCC1=CC=CC=C1 B22211 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.28 CCOCCC1=NC=CC=C1 E69081 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.28 N#CCNCC1=CC=CC=C1 B49709 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.28 NCCOCC1=CC=CC=C1 B50339 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.28 NCCOCC1=CC=CC=C1 B52169 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.28 O=CCCOC1=CC=CC=C1 P49880 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.28 O=CCOCC1=CC=CC=C1 B24494 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.28 OCCCCC1=CC=CC=C1 P69087 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.28 OCCCCC1=CC=NC=C1 P50342 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.28 OCCCCC1=CN=CC=C1 P50341 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.28 OCCCCC1=NC=CC=C1 P50340 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.28 OCCOCC1=CC=CC=C1 B24595 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 H52037 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 N69452 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.91 OB(O)CCC1=CC=CC=C1 P4926 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 B52021 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 C52036 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 F52043 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [1,1,0,0,0,0|0,0,0]=2 261 B11R1.20 CC(C)NC1=CC=C(F)C=C1 F50250 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.20 CC(C)OC1=CC=C(N)C=C1 P50334 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.20 CC(C)OC1=CC=C(O)C=C1 P60509 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 B49968 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.20 CN(C)CC1=CC=C(N)C=C1 D24687 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 F36778 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 C49035 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 B39601 [1,1,0,0,0,0|0,0,1]=3 273 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [1,1,0,0,0,0|0,0,0]=2 274 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [1,1,0,0,0,0|0,0,0]=2 275 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [1,1,0,0,0,0|0,0,0]=2 276 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 B52026 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 A69457 [1,1,0,0,0,0|1,0,1]=4 282 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A69199 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.86 CC(=O)CC1=C(Br)C=CC=C1 B52020 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 C52039 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 F52044 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.86 CC(C)NC1=NC=CC=C1N P47054 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 B46784 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P50385 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P60671 [1,1,0,0,0,0|1,0,0]=3 292 B11R1.86 CC1=NC=CN=C1CC(C)C B50395 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.86 NC(=O)CC1=C(Cl)C=CC=C1 C49033 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 B64129 [1,1,0,0,0,0|1,0,1]=4 295 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 C52040 [1,1,0,0,0,0|1,0,1]=4 296 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 F52045 [1,1,0,0,0,0|1,0,1]=4 297 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [1,1,0,0,0,0|0,0,0]=2 298 B11R1.157 CC(C)OC1=CC(O)=CC=C1 M61115 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.157 CC(C)OC1=CC=CC(Br)=C1 B66115 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 B46785 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 B50233 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.157 CN(C)CC1=CC=CC(O)=C1 D50353 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 A46654 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 C49034 [1,1,0,0,0,0|1,0,1]=4 305 B11R1.509 CC(C)(C)OC1=CN=CC=C1 B50336 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.509 CC(C)(C)OC1=NC=CC=C1 B50335 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 B37400 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 M37460 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60768 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 T60838 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 P38803 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 M64383 [0,1,0,0,1,0|1,0,1]=4 313 B11R1.7 C#C[C@@](C)(O)C1=CC=CC=C1 P52408 [0,1,0,0,1,0|1,0,1]=4 314 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 M62343 [0,1,0,0,1,0|2,0,0]=4 315 B11R1.7 CC(C)(CN)C1=CC=CC=C1 M53116 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 M52180 [0,1,0,0,1,0|0,0,0]=2 317 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [0,1,0,0,1,0|1,0,0]=3 318 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [0,1,0,0,1,0|1,0,0]=3 319 B11R1.12 OCC(CO)C1=CC=CC=C1 P67660 [0,1,0,0,1,0|2,0,0]=4 320 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [0,1,0,0,1,0|2,0,0]=4 321 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [0,1,0,0,1,0|2,0,0]=4 322 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [0,1,0,0,1,0|1,0,0]=3 324 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [0,1,0,0,1,0|2,0,0]=4 325 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [0,1,0,0,1,0|2,0,0]=4 327 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [0,1,0,0,1,0|2,0,0]=4 329 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 B49023 [0,1,0,0,1,0|1,0,1]=4 330 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 K63815 [0,1,0,0,1,0|1,0,1]=4 331 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 A69158 [0,1,0,0,1,0|1,0,1]=4 332 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [0,1,0,0,1,0|0,0,0]=2 333 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [0,1,0,0,1,0|0,0,0]=2 334 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [0,1,0,0,1,0|0,0,0]=2 335 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [0,1,0,0,1,0|2,0,0]=4 336 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [0,1,0,0,1,0|2,0,0]=4 337 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [0,1,0,0,1,0|2,0,0]=4 338 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 F52145 [0,1,0,0,1,0|2,0,0]=4 339 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 B50234 [0,1,0,0,1,0|2,0,0]=4 340 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 F52148 [0,1,0,0,1,0|2,0,0]=4 341 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 B69408 [0,1,0,0,1,0|1,0,1]=4 342 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 B50236 [0,1,0,0,1,0|0,0,0]=2 343 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [0,1,0,0,1,0|2,0,0]=4 344 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [0,1,0,0,1,0|2,0,0]=4 345 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [0,1,0,0,1,0|1,0,0]=3 346 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [0,1,0,0,1,0|2,0,0]=4 347 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [0,1,0,0,1,0|2,0,0]=4 348 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [0,1,0,0,1,0|2,0,0]=4 349 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [0,1,0,0,1,0|2,0,0]=4 350 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 B49022 [0,1,0,0,1,0|1,0,1]=4 351 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 A67666 [0,1,0,0,1,0|1,0,1]=4 352 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [0,1,0,0,1,0|1,0,1]=4 353 B13R1.42 CNCC(=O)OCC1=CC=CC=C1 B62459 [0,1,0,0,0,1|1,0,1]=4 354 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 A53040 [0,1,0,0,0,1|1,0,1]=4 355 B13R1.135 CON(C)C(=O)CC1=CC=CC=C1 M52961 [0,1,0,0,0,1|2,0,0]=4 356 B13R1.351 CN(N)C(=O)OCC1=CC=CC=C1 B50180 [0,1,0,0,0,1|1,0,1]=4 357 B13R1.351 C[C@@H](OCC1=CC=CC=C1)C(=O)O B67100 [0,1,0,0,0,1|2,0,0]=4 358 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B52822 [0,1,0,0,0,1|2,0,0]=4 359 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O B65085 [0,1,0,0,0,1|2,0,0]=4 360 B13R1.417 BrCC(CBr)OCC1=CC=CC=C1 D67115 [0,1,0,0,0,1|2,0,0]=4 361 B13R1.152 CC(=O)[C@H](C)C(=O)C1=CC=CC=C1 M54555 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.152 CN(C)C(=O)[C@@H](N)C1=CC=CC=C1 A64478 [0,2,0,0,0,0|1,0,1]=4 363 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O M37956 [0,2,0,0,0,0|0,0,1]=3 364 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O A52956 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O A54162 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O D54779 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 A46996 [0,2,0,0,0,0|2,0,0]=4 368 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [1,0,0,1,0,0|1,0,1]=4 369 B11R2.1 CN1C=CC2=C1C=CC=C2 M68120 [1,0,0,1,0,0|0,0,2]=4 370 B11R2.1 CN1C=NC2=C1C=CC=C2 M48776 [1,0,0,1,0,0|1,0,1]=4 371 B11R2.1 CN1N=CC2=C1C=CC=C2 M14463 [1,0,0,1,0,0|1,0,1]=4 372 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [1,0,0,1,0,0|2,0,0]=4 373 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [1,0,0,1,0,0|2,0,0]=4 374 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [1,0,0,1,0,0|2,0,0]=4 375 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [1,0,0,1,0,0|2,0,0]=4 376 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [1,0,0,1,0,0|2,0,0]=4 377 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [1,0,0,1,0,0|2,0,0]=4 378 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [1,0,0,1,0,0|2,0,0]=4 379 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [1,0,0,1,0,0|2,0,0]=4 380 B11R2.20 C1=CC2=C(C=C1)COCC2 C39527 [1,0,0,1,0,0|1,0,0]=3 381 B11R2.20 C1=CC2=C(C=C1)NCCC2 T37825 [1,0,0,1,0,0|2,0,0]=4 382 B11R2.20 C1=CC2=C(C=C1)OCCC2 D66932 [1,0,0,1,0,0|2,0,0]=4 383 B11R2.20 C1=CC2=C(C=N1)CCCC2 T49977 [1,0,0,1,0,0|2,0,0]=4 384 B11R2.20 C1=CC2=C(C=N1)CCNC2 T49657 [1,0,0,1,0,0|1,0,0]=3 385 B11R2.20 C1=CC2=C(C=N1)CCNC2 T69820 [1,0,0,1,0,0|1,0,0]=3 386 B11R2.20 C1=CC2=C(C=N1)CNCC2 N14836 [1,0,0,1,0,0|1,0,0]=3 387 B11R2.20 C1=CC2=C(C=N1)CNCC2 T49489 [1,0,0,1,0,0|1,0,0]=3 388 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [1,0,0,1,0,0|2,0,0]=4 389 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [1,0,0,1,0,0|1,0,0]=3 390 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [1,0,0,1,0,0|1,0,0]=3 391 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [1,0,0,1,0,0|1,0,0]=3 392 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [1,0,0,1,0,0|1,0,0]=3 393 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [1,0,0,1,0,0|1,0,0]=3 394 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [1,0,0,1,0,0|1,0,0]=3 395 B11R2.20 C1=NC=C2CCNCC2=N1 T11295 [1,0,0,1,0,0|2,0,0]=4 396 B11R2.20 C1=NC=C2CNCCC2=N1 T11293 [1,0,0,1,0,0|2,0,0]=4 397 B11R2.20 C1=NC=C2CNCCC2=N1 T1801 [1,0,0,1,0,0|2,0,0]=4 398 B11R2.20 C1=NC=C2CNCCC2=N1 T5337 [1,0,0,1,0,0|2,0,0]=4 399 B11R2.239 C1=CN=C(C2CNC2)C=N1 A46337 [1,0,0,1,0,0|2,0,0]=4 400 B11R2.239 C1=CN=CC(C2CNC2)=C1 A49655 [1,0,0,1,0,0|1,0,0]=3 401 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [1,0,0,1,0,0|2,0,0]=4 402 B11R2.10 BrC1CC2=C(C=CC=C2)C1 B51667 [1,0,0,1,0,0|1,0,0]=3 403 B11R2.10 CC1=CC2=C(C=CC=C2)C1 M38071 [1,0,0,1,0,0|0,0,2]=4 404 B11R2.10 CC1=CC2=C(C=CC=C2)N1 M13893 [1,0,0,1,0,0|0,0,2]=4 405 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M13896 [1,0,0,1,0,0|0,0,0]=2 406 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 M15830 [1,0,0,1,0,0|0,0,0]=2 407 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [1,0,0,1,0,0|1,0,0]=3 408 B11R2.10 O=C1CC2=C(C=CC=C2)C1 K24552 [1,0,0,1,0,0|1,0,1]=4 409 B11R2.10 OC1CC2=C(C=CC=C2)C1 D67665 [1,0,0,1,0,0|1,0,0]=3 410 B11R2.40 NC1(C2=CC=CC=C2)CC1 P64329 [0,0,0,1,1,0|2,0,0]=4 411 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 M30077 [0,0,0,1,0,1|1,0,0]=3 412 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 P32385 [0,0,0,1,0,1|1,0,1]=4 413 B13R2.32 C[C@H]1CCC2=C(C=CC=C2)C1=O M54547 [0,0,0,1,0,1|2,0,0]=4 414 B13R2.57 CN[C@H]1CNC2=C(C=CC=C2)C1 M65198 [0,0,0,1,0,1|0,0,0]=2 415 B13R2.57 CN[C@H]1CNC2=C(C=CC=C2)C1 M67244 [0,0,0,1,0,1|0,0,0]=2 416 B13R2.57 OC[C@@H]1CC2=C(C=CC=C2)CN1 T52935 [0,0,0,1,0,1|2,0,0]=4 417 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 T24630 [0,0,0,1,0,1|2,0,0]=4 418 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 T52934 [0,0,0,1,0,1|2,0,0]=4 419 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 B56557 [0,0,0,1,0,1|2,0,0]=4 420 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 B67749 [0,0,0,1,0,1|2,0,0]=4 421 B13R2.15 OC1COCC1C2=CC=CC=C2 P52796 [0,1,0,1,0,0|2,0,0]=4 422 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 P10576 [0,1,0,1,0,0|1,0,0]=3 423 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 B10785 [0,1,0,1,0,0|2,0,0]=4 424 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 B0168 [0,1,0,1,0,0|2,0,0]=4 425 B13R2.64 C1=CC=C(CN2CCCC2)C=C1 B61072 [0,1,0,1,0,0|2,0,0]=4 426 B13R2.64 C1=CC=C(C[S+]2CCCC2)C=C1 T8209 [0,1,0,1,0,0|2,0,0]=4 427 B13R2.135 CCN1C(C)=CC2=C1C=CC=C2 E54600 [0,1,0,1,0,0|0,0,2]=4 428 B13R2.221 NC1(CC2=CC=CC=C2)COC1 B10930 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 D54824 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 C55483 [0,1,0,1,0,0|1,0,0]=3 431 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 C55481 [0,1,0,1,0,0|1,0,0]=3 432 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 C55484 [0,1,0,1,0,0|1,0,0]=3 433 B13R2.8137 O=C(C1=CC=CC=C1)C2CCC2 C62224 [0,1,0,1,0,0|1,0,1]=4 434 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 P38188 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 P30012 [0,1,0,1,0,0|2,0,0]=4 436 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 P30011 [0,1,0,1,0,0|2,0,0]=4 437 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 D22647 [0,1,0,1,0,0|2,0,0]=4 438 B13R2.148 NC1(CC2=CC=C(O)C=C2)CC1 A52924 [0,1,0,1,0,0|2,0,0]=4 439 B13R2.3028 CC1=NC2=C(C=C(Br)C=C2)N1C B63221 [0,1,0,1,0,0|1,0,1]=4 440 B13R2.3028 CN1C(=O)CC2=C1C=C(Br)C=C2 B26299 [0,1,0,1,0,0|1,0,1]=4 441 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 A0124 [0,1,0,1,0,0|1,0,1]=4 442 B13R2.3028 C[C@H]1CC2=C(C=C(Cl)C=C2)C1=O C54054 [0,1,0,1,0,0|2,0,0]=4 443 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 M54237 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.3683 CN1CCC2=C(C=CC(O)=C2)C1 M52933 [0,1,0,1,0,0|2,0,0]=4 445 B13R2.3683 C[C@H]1CC2=C(C=C(Br)C=C2)CN1 B52741 [0,1,0,1,0,0|0,0,0]=2 446 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 B52726 [0,1,0,1,0,0|2,0,0]=4 447 B13R2.3683 O=C1CC2=C(C=C(Br)C=C2)CN1 B38863 [0,1,0,1,0,0|1,0,1]=4 448 B13R2.3683 O[C@H]1CCC2=C(C=CC(Br)=C2)C1 B37785 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 A11338 [0,1,0,1,0,0|2,0,0]=4 450 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 B52728 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 B52740 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 F52752 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.5179 CN1CCC2=C(O)C=CC=C2C1 M52932 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.5190 CC1=CC2=C(C=CC(O)=C2)N1C D63491 [0,1,0,1,0,0|0,0,2]=4 455 B13R2.5190 CC1=NC2=C(C=CC(N)=C2)N1C D63292 [0,1,0,1,0,0|1,0,1]=4 456 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 B22286 [0,1,0,1,0,0|1,0,1]=4 457 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 A12401 [0,1,0,1,0,0|1,0,1]=4 458 B13R2.5190 C[C@H]1CC2=C(C=CC(Cl)=C2)C1=O C54053 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.5190 C[C@H]1CC2=C(C=CC(F)=C2)C1=O F54060 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.103 NCC1(N)CC2=C(C=CC=C2)C1 A53031 [0,1,0,1,0,0|2,0,0]=4 461 B13R2.4825 CC1=NC2=C(Br)C=CC=C2N1C B63349 [0,1,0,1,0,0|1,0,1]=4 462 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 B3855 [0,1,0,1,0,0|1,0,1]=4 463 B13R2.4825 C[C@H]1CC2=C(Br)C=CC=C2C1=O B54047 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.12 CCCCC1=CSC=C1 B47048 [1,0,0,0,1,0|2,0,0]=4 465 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [1,0,0,0,1,0|1,0,0]=3 466 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [1,0,0,0,1,0|2,0,0]=4 467 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [1,0,0,0,1,0|0,0,0]=2 468 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [1,0,0,0,1,0|1,0,0]=3 469 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [1,0,0,0,1,0|1,0,0]=3 470 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [1,0,0,0,1,0|1,0,0]=3 471 B9R1.6 C[C@@H](N)C1=CN=CN=C1 A12922 [1,0,0,0,1,0|2,0,0]=4 472 B9R1.6 C[C@@H](N)C1=CN=CN=C1 P27095 [1,0,0,0,1,0|2,0,0]=4 473 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [1,0,0,0,1,0|1,0,0]=3 474 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [1,0,0,0,1,0|1,0,0]=3 475 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [1,0,0,0,1,0|1,0,0]=3 476 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [1,0,0,0,1,0|2,0,0]=4 477 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [1,0,0,0,1,0|2,0,0]=4 478 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [1,0,0,0,1,0|0,0,0]=2 479 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [1,0,0,0,1,0|0,0,0]=2 480 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [1,0,0,0,1,0|1,0,0]=3 481 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [1,0,0,0,1,0|1,0,0]=3 482 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [1,0,0,0,1,0|1,0,0]=3 483 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [1,0,0,0,1,0|1,0,0]=3 484 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [1,0,0,0,1,0|1,0,0]=3 485 B9R1.6 C[C@H](N)C1=CN=CN=C1 A12921 [1,0,0,0,1,0|2,0,0]=4 486 B9R1.6 C[C@H](N)C1=CN=CN=C1 A7447 [1,0,0,0,1,0|2,0,0]=4 487 B9R1.6 C[C@H](N)C1=CN=NC=C1 P30996 [1,0,0,0,1,0|2,0,0]=4 488 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [1,0,0,0,1,0|1,0,0]=3 489 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [1,0,0,0,1,0|1,0,0]=3 490 B9R1.6 C[C@H](N)C1=NC=CC=N1 P36807 [1,0,0,0,1,0|2,0,0]=4 491 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [1,0,0,0,1,0|2,0,0]=4 492 B9R1.6 C[C@H](N)C1=NC=NC=C1 A12259 [1,0,0,0,1,0|2,0,0]=4 493 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [1,0,0,0,1,0|1,0,0]=3 494 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [1,0,0,0,1,0|2,0,0]=4 495 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [1,0,0,0,1,0|2,0,0]=4 496 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [1,0,0,0,1,0|2,0,0]=4 497 B9R1.6 N=C(N)C1=CC=CC=C1 B39428 [1,0,0,0,1,0|1,0,1]=4 498 B9R1.6 NC(=O)C1=CC=CC=C1 B69845 [1,0,0,0,1,0|1,0,1]=4 499 B13R1.718 C[C@H](CBr)COCC1=CC=CC=C1 B54911 [0,0,0,0,0,2|2,0,0]=4