0 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 CC(C#N)NC1=CC=CC=C1 M15456 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.40 CC(CN)OC1=CC=CC=C1 P36860 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 CC(CN)SC1=CC=CC=N1 Q58359 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.40 CCC(Br)CC1=CC=NC=C1 Q58440 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.40 CCC(O)CC1=CC=NC=C1 Q58397 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.40 COC(=O)CC1=CC=CN=C1 P38302 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.40 NNC(=O)CC1=CC=NC=C1 P36560 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.40 O=C(CBr)CC1=CC=CC=C1 O31255 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.40 O=C(CC1=CC=CC=C1)NO P37592 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.17 C#CCOC1=CC=CC=C1 P41520 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.17 CCCCC1=CC=NC=C1 O30545 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.17 CNCCC1=CC=CC=C1 P37213 [1,0,0,0,0,0|0,0,0]=1 16 B10R1.17 CNCCC1=CC=NC=C1 P37446 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.17 CNCCC1=NC=CC=C1 P40087 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.17 ICCCC1=CC=CC=C1 P38180 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 NCCCC1=CC=NC=C1 P38929 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 NNCCC1=CC=NC=C1 Q58254 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 OCCCC1=NC=CC=C1 P39056 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.18 CC(C)NC1=NN=CC=C1 O31988 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.18 CC(C)OC1=NC=CC=C1 N24110 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.18 NC(=S)CC1=CC=NC=C1 Q58253 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.32 C#CCN(C)CC1=CC=CC=C1 O33738 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.32 CN(CCN)CC1=CC=CC=C1 P41340 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.32 CONC(C)CC1=CC=CC=C1 O31441 [0,1,0,0,0,0|0,0,0]=1 31 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 O30231 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 P38441 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O P43046 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Q60576 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.43 CC(CC1=NC=CC=C1)C(=O)O P43045 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O K12054 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.49 CC(CN)OC1=CC=C(Cl)C=C1 P40582 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.49 CC1=CC=C(CC(N)CO)C=C1 P38590 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 P35566 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 O31002 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 P37023 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 P39469 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.49 NC(CO)CC1=CC=C(Br)C=C1 P35633 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 P38593 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.49 NC(CO)CC1=CC=C(F)C=C1 P38588 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 P37292 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.49 N[C@@H](CO)CC1=CC=C(Cl)C=C1 P39975 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 P38643 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 M23085 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 P36332 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 P39974 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 P40016 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 P37803 [0,1,0,0,0,0|3,0,0]=4 54 B12R1.50 CC1=CC(CC(N)CO)=CC=C1 P38591 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.50 CC1=CC(C[C@@H](N)CO)=CC=C1 P36120 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.50 CCC(=O)CC1=CC=CC(C)=C1 P40770 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 P37115 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.50 COC(=O)CC1=CC=CC(I)=C1 M22875 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 P38153 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.50 NC(CO)CC1=CC=CC(Br)=C1 P39329 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.50 NC(CO)CC1=CC=CC(Cl)=C1 P38434 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.50 NC(CO)CC1=CC=CC(F)=C1 P38589 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 P36762 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.50 N[C@@H](CO)CC1=CC=CC(F)=C1 P36121 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.50 N[C@H](CO)CC1=CC=CC(Br)=C1 P37966 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 P34978 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 P34977 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.118 NCC(CO)CC1=CC=CN=C1 Q58251 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.118 NCC(CO)CC1=CC=NC=C1 Q58252 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 L21351 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.194 C[C@@](N)(CO)CC1=CC=CC=C1 10161 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.371 CC(CN)OC1=CC=CC=C1Cl P35408 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.371 CC1=CC=CC=C1CC(N)CO P38592 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.371 CC1=CC=CC=C1C[C@H](N)CO P34976 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.371 CCC(=O)CC1=CC=CC=C1C P39216 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.371 CCC(=O)CC1=CC=CC=C1F P41070 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.371 COC(=O)CC1=CC=CC=C1C P38193 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.371 COC(=O)CC1=CC=CC=C1I M23155 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.371 COC(=O)CC1=CC=CC=C1O P39566 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.371 NC(CO)CC1=CC=CC=C1Br P41931 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.371 NC(CO)CC1=CC=CC=C1Cl P38433 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.371 NC(CO)CC1=CC=CC=C1F P40521 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.371 N[C@@H](CO)CC1=CC=CC=C1Cl P42911 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.371 N[C@H](CO)CC1=CC=CC=C1Cl P42910 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.371 N[C@H](CO)CC1=CC=CC=C1F P41132 [0,1,0,0,0,0|3,0,0]=4 86 B12R2.18 CC1=NC2=CC=CC=C2N1C Q68028 [0,0,0,1,0,0|1,0,1]=3 87 B12R2.18 CC1=[N+](C)C2=CC=CC=C2S1 Q69563 [0,0,0,1,0,0|1,0,2]=4 88 B12R2.18 CN1C(=O)CC2=CC=CN=C21 L21471 [0,0,0,1,0,0|2,0,1]=4 89 B12R2.18 CN1C(=O)CC2=CC=NC=C21 Q64411 [0,0,0,1,0,0|2,0,1]=4 90 B12R2.18 CN1C2=CC=CC=C2N=C1Br O30651 [0,0,0,1,0,0|2,0,1]=4 91 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O I-9168 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O G-6897 [0,0,0,1,0,0|3,0,0]=4 93 B12R2.23 O=C1CCC1C2=CC=CC=C2 F-4430 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.24 NC1CNC2=C(C=CC=C2)C1 O32222 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.24 NC1COC2=C(C=CC=C2)C1 O34395 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 O34281 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.24 N[C@H]1COC2=C(C=CC=C2)C1 O34576 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 P39429 [0,0,0,1,0,0|1,0,1]=3 99 B12R2.24 OC1CNC2=C(C=CC=C2)C1 O33538 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [0,0,0,1,0,0|2,0,0]=3 101 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 O33190 [0,0,0,1,0,0|3,0,0]=4 102 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 O33189 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.27 N#CC1CC1C2=CC=CC=C2 P43268 [0,0,0,1,0,0|2,0,0]=3 105 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 M15885 [0,0,0,1,0,0|2,0,0]=3 106 B12R2.27 NCC1CC1C2=CC=CC=C2 L19913 [0,0,0,1,0,0|2,0,0]=3 107 B12R2.27 O=CC1CC1C2=CC=CC=C2 L20873 [0,0,0,1,0,0|2,0,0]=3 108 B12R2.27 OCC1CC1C2=CC=CC=C2 P51570 [0,0,0,1,0,0|2,0,0]=3 109 B12R2.32 CNC1=NC2=CC=CC=C2N1 P51365 [0,0,0,1,0,0|2,0,1]=4 110 B12R2.32 OCC1CC2=C(C=CC=C2)N1 M23283 [0,0,0,1,0,0|3,0,0]=4 111 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 I-9423 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 M22647 [0,0,0,1,0,0|2,0,0]=3 113 B12R2.2058 C1=CC=C(CN2CCC2)C=C1 P45197 [0,0,0,1,0,0|2,0,0]=3 114 B12R2.2058 C1=CC=C(NC2CNC2)C=C1 P36319 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 G-7276 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 M22662 [0,0,0,1,0,0|3,0,0]=4 117 B10R1.15 CCC(N)C1=CC=CC=C1 P39015 [0,0,0,0,1,0|2,0,0]=3 118 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 P40939 [0,0,0,0,1,0|2,0,0]=3 119 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 P40176 [0,0,0,0,1,0|0,0,0]=1 120 B10R1.15 CN[C@H](C)C1=CC=CC=C1 P37197 [0,0,0,0,1,0|0,0,0]=1 121 B10R1.15 N=C(NN)C1=CC=CC=C1 O30004 [0,0,0,0,1,0|2,0,1]=4 122 B10R1.15 NCC(N)C1=CC=CC=C1 P40726 [0,0,0,0,1,0|3,0,0]=4 123 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 P43243 [0,0,0,0,1,0|3,0,0]=4 124 B10R1.15 NC[C@H](O)C1=CC=CC=C1 P43317 [0,0,0,0,1,0|3,0,0]=4 125 B12R1.27 C#CC(O)CCC1=CC=CC=C1 L19306 [0,0,0,0,0,1|2,0,1]=4 126 B12R1.27 CC(CO)NCC1=CC=CC=C1 Q66178 [0,0,0,0,0,1|2,0,0]=3 127 B12R1.27 CC(CO)NCC1=CC=CC=N1 Q58145 [0,0,0,0,0,1|3,0,0]=4 128 B12R1.27 CC(CO)NCC1=CC=CN=C1 Q58150 [0,0,0,0,0,1|3,0,0]=4 129 B12R1.27 CC(CO)NCC1=CC=NC=C1 Q58149 [0,0,0,0,0,1|3,0,0]=4 130 B12R1.27 CC(CO)OCC1=CC=CC=C1 P36528 [0,0,0,0,0,1|2,0,0]=3 131 B12R1.27 CCC(C)NCC1=CN=CN=C1 Q58748 [0,0,0,0,0,1|3,0,0]=4 132 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [0,0,0,0,0,1|2,0,1]=4 133 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [0,0,0,0,0,1|2,0,1]=4 134 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 O31764 [0,0,0,0,0,1|2,0,0]=3 135 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 10174 [0,0,0,0,0,1|2,0,0]=3 136 B12R1.27 NNC(=O)CCC1=CC=CC=C1 P38586 [0,0,0,0,0,1|2,0,1]=4 137 B12R1.27 OC(CCl)COC1=CC=CC=C1 O34043 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.8 BrCCC1=CC=NC=C1 Q62364 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.8 BrCCC1=CN=CC=C1 Q62363 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.8 CNCC1=CC=CN=C1 P35002 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.8 CNCC1=CC=NC=C1 P36555 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.8 CNCC1=CN=CN=C1 G-7225 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.8 CNCC1=NC=CC=C1 P39822 [2,0,0,0,0,0|1,0,0]=3 144 B9R1.8 CNCC1=NC=CC=N1 L18100 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.8 NCCC1=CC=NC=N1 L14509 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.8 NCCC1=NC=CC=N1 L14904 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.8 NCCC1=NC=CC=N1 Q55474 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.8 NCCC1=NC=NC=C1 Q56454 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.8 NNCC1=CC=CC=C1 P43525 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.8 NNCC1=CC=CN=C1 O31533 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.8 NNCC1=CC=NC=C1 C-3253 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.8 NNCC1=CC=NC=C1 L13556 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.8 NNCC1=CC=NC=C1 O32212 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.8 NNCC1=CN=CC=C1 C-3254 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.8 NNCC1=NC=CC=C1 C-3255 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.8 NNCC1=NC=CC=C1 O31423 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.8 OCCC1=CC=CN=C1 O28068 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.8 OCCC1=CC=NC=C1 P37585 [2,0,0,0,0,0|2,0,0]=4 159 B11R1.1 BrCCCC1=CC=C(Br)C=C1 O28558 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.1 CC1=CC=C(CCCN)C=C1 P37491 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.1 CC1=CC=C(CCCO)C=C1 P37548 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.1 CCCNC1=CC=C(Br)C=C1 L20694 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.1 CCOCC1=CC=C(Br)C=C1 Q68272 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.1 CNCCC1=CC=C(Br)C=C1 P36407 [1,1,0,0,0,0|0,0,0]=2 165 B11R1.1 CNCCC1=CC=C(C)C=C1 P39523 [1,1,0,0,0,0|0,0,0]=2 166 B11R1.1 CNCCC1=CC=C(Cl)C=C1 P38411 [1,1,0,0,0,0|0,0,0]=2 167 B11R1.1 CNCCC1=CC=C(F)C=C1 P38002 [1,1,0,0,0,0|0,0,0]=2 168 B11R1.1 COCOC1=CC=C(Br)C=C1 Q66626 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.1 COCOC1=CC=C(C)C=C1 Q67077 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.1 COCOC1=CC=C(Cl)C=C1 Q66756 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.1 COCOC1=CC=C(F)C=C1 Q66729 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.1 ClC1=CC=C(CCCBr)C=C1 P36856 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.1 FC1=CC=C(CCCBr)C=C1 P39413 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 P38827 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.1 NC1=CC=C(CCCO)C=C1 O28226 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.1 NCCCC1=CC=C(Br)C=C1 P36773 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.1 NCCCC1=CC=C(Cl)C=C1 P40263 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.1 NCCCC1=CC=C(F)C=C1 P43064 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.1 NCCCC1=CC=C(N)C=C1 P35188 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.1 OCCCC1=CC=C(Br)C=C1 P39318 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.1 OCCCC1=CC=C(F)C=C1 P36540 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.16 CC(CCN)C1=CC=CC=C1 P38414 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.16 CCCC(N)C1=CC=CC=C1 P39016 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.16 CNCC(C)C1=CC=CC=C1 P37180 [1,1,0,0,0,0|0,0,0]=2 185 B11R1.16 CNCC(O)C1=CC=CN=C1 Q58187 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.16 CNCC(O)C1=NC=CC=C1 L20626 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.16 COCC(N)C1=CC=CC=C1 P40515 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 P35167 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.16 COC[C@@H](N)C1=CC=CN=C1 P43472 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.16 COC[C@H](N)C1=CC=CC=C1 P36845 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.16 COC[C@H](N)C1=CC=CN=C1 P43473 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.16 NCCC(O)C1=CC=CC=C1 P37784 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 P35908 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 P40616 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.17 BrCCCC1=CC=CC=C1Br O28828 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.17 CC1=CC=CC=C1CCCN P36201 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.17 CNCCC1=CC=CC=C1Br Q66105 [1,1,0,0,0,0|0,0,0]=2 198 B11R1.17 CNCCC1=CC=CC=C1C P36240 [1,1,0,0,0,0|0,0,0]=2 199 B11R1.17 CNCCC1=CC=CC=C1Cl P37635 [1,1,0,0,0,0|0,0,0]=2 200 B11R1.17 CNCCC1=CC=CC=C1F P37905 [1,1,0,0,0,0|0,0,0]=2 201 B11R1.17 COCOC1=C(N)C=CC=C1 L20232 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.17 COCOC1=CC=CC=C1Br Q66625 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.17 COCOC1=CC=CC=C1C Q68157 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.17 COCOC1=CC=CC=C1Cl N25780 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.17 COCOC1=CC=CC=C1F Q66727 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.17 ClC1=CC=CC=C1CCCBr P37495 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.17 FC1=CC=CC=C1CCCBr P41797 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.17 NCCCC1=CC=CC=C1Br P36821 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.17 NCCCC1=CC=CC=C1Cl P40265 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.17 NCCCC1=CC=CC=C1F P35165 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.17 OCCCC1=CC=CC=C1Cl P36965 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.17 OCCCC1=CC=CC=C1F P36169 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.24 BrCCCC1=CC(Br)=CC=C1 O28830 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.24 CC1=CC(CCCN)=CC=C1 P42846 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.24 CC1=CC(CCCO)=CC=C1 P42630 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.24 CCCCC1=CC=CC(N)=N1 O30054 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.24 CCCC[N+]1=CC=CC(C)=C1 O34174 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.24 CCCOC1=CC(Br)=CC=C1 Q66928 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.24 CNCCC1=CC=CC(Br)=C1 P36066 [1,1,0,0,0,0|0,0,0]=2 220 B11R1.24 CNCCC1=CC=CC(C)=C1 P41493 [1,1,0,0,0,0|0,0,0]=2 221 B11R1.24 CNCCC1=CC=CC(Cl)=C1 P37634 [1,1,0,0,0,0|0,0,0]=2 222 B11R1.24 CNCCC1=CC=CC(F)=C1 P37712 [1,1,0,0,0,0|0,0,0]=2 223 B11R1.24 COCOC1=CC(Br)=CC=C1 Q66574 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.24 COCOC1=CC(Cl)=CC=C1 Q66406 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.24 COCOC1=CC(F)=CC=C1 Q66728 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.24 ClC1=CC(CCCBr)=CC=C1 P35187 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.24 FC1=CC(CCCBr)=CC=C1 P40928 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.24 NCCCC1=CC(O)=CC=C1 P37377 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.24 NCCCC1=CC=CC(Br)=C1 P40513 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.24 NCCCC1=CC=CC(Cl)=C1 P40264 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.24 NCCCC1=CC=CC(F)=C1 P42845 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.24 NCCCC1=CC=CC(N)=C1 P38762 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.24 OCCCC1=CC=CC(Br)=C1 P36802 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.24 OCCCC1=CC=CC(Cl)=C1 P39520 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.24 OCCCC1=CC=CC(F)=C1 P40929 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.24 OCCCC1=CC=CC(O)=C1 P41291 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.28 BrCCCCC1=CC=CC=C1 P41514 [1,1,0,0,0,0|1,0,0]=3 238 B11R1.28 CCCNCC1=CC=CC=C1 P39958 [1,1,0,0,0,0|1,0,0]=3 239 B11R1.28 CNCCCC1=CC=CC=C1 P39485 [1,1,0,0,0,0|0,0,0]=2 240 B11R1.28 ClCCOCC1=CC=CC=C1 P40573 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.28 ICCCCC1=CC=CC=C1 P36870 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.28 ICCOCC1=CC=CC=C1 P37513 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.28 N#CCOCC1=CC=CC=C1 P41519 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.28 NCCCOC1=CC=CC=C1 P36207 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.28 O=CCOCC1=CC=CC=C1 P37120 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.28 OCCCCC1=CC=CN=C1 P37114 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.28 OCCCCC1=CC=NC=C1 P37629 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.28 OCCCCC1=NC=CC=C1 P40417 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.91 CC(N)COC1=CC=CC=C1 P38614 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 P42284 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 P36150 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.20 CC(C)NC1=CC=C(F)C=C1 P36529 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.20 CC(C)NC1=NC=C(Br)C=C1 P38063 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 Q66408 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Q67546 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.20 CC(C)OC1=CC=C(N)C=N1 Q53684 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.20 CC(C)OC1=CC=C(O)C=C1 O30893 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.20 CC(C)OC1=CN=C(F)C=C1 N25011 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 Q67257 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.20 CC(C)OC1=NC=C(Cl)C=C1 N24389 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.20 CC(C)OC1=NC=C(I)C=C1 N24494 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.20 CC(C)OC1=NC=C(O)C=C1 N26096 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 P41684 [1,1,0,0,0,0|0,0,0]=2 264 B11R1.20 CN(C)CC1=CC=C(N)C=C1 P36889 [1,1,0,0,0,0|1,0,0]=3 265 B11R1.20 CN(C)CC1=NC=C(Br)C=C1 O33494 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 L20820 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.36 CC(C)C(C)C1=CC=CC=C1 P43269 [1,1,0,0,0,0|0,0,0]=2 269 B11R1.36 CC(C)C(N)C1=CC=CC=C1 P36744 [1,1,0,0,0,0|0,0,0]=2 270 B11R1.36 CC(C)C(O)C1=CC=NC=C1 L20534 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.86 CC(C)NC1=CC=CC=C1Br P40936 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.86 CC(C)NC1=CC=CC=C1Cl P36079 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.86 CC(C)NC1=CC=CC=C1F P42616 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.86 CC(C)NC1=CC=CC=C1N P36500 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.86 CC(C)NC1=CC=NC=C1N Q58287 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.86 CC(C)OC1=CC=CC=C1F Q67217 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.86 CC(C)OC1=CC=CN=C1F N27027 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.86 CC(C)OC1=NC=CC=C1Br Q67456 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.86 CC(C)OC1=NC=CC=C1Cl N26015 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.86 CC(N)CC1=C(O)C=CC=C1 L19732 [1,1,0,0,0,0|0,0,0]=2 282 B11R1.86 CN(C)CC1=CC=CC=C1Br Q68057 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.86 CN(C)CC1=CC=CC=C1N P40192 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.157 CC(C)NC1=CC=CC(Br)=C1 P41926 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.157 CC(C)NC1=CC=CC(Cl)=C1 P38903 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.157 CC(C)NC1=CC=CC(F)=C1 P42251 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.157 CC(C)OC1=CC(F)=CC=C1 Q66828 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.157 CC(C)OC1=CC=CC(O)=C1 N24861 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.157 CC(C)OC1=CN=CC(Br)=C1 Q67028 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.157 CC(C)OC1=CN=CC(O)=C1 N26113 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.157 CC(C)OC1=NC(Cl)=CC=C1 N25603 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.157 CC(C)OC1=NC=CC(I)=C1 N24860 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.157 CC1=CC(NC(C)C)=CC=C1 P42983 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.157 CN(C)CC1=CC(Br)=CN=C1 N26225 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.157 CN(C)CC1=CC(N)=CC=C1 P39096 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 Q67698 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.157 CN(C)CC1=CC=NC(Cl)=C1 Q58394 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.7 CC(C)(CN)C1=CC=CC=C1 P39760 [0,1,0,0,1,0|2,0,0]=4 299 B11R1.7 CC(N)(CO)C1=CC=CC=C1 P35233 [0,1,0,0,1,0|2,0,0]=4 300 B11R1.22 CC(C#N)C1=CC=C(Br)C=C1 P38144 [0,1,0,0,1,0|2,0,0]=4 301 B11R1.22 CC(C#N)C1=CC=C(F)C=C1 P37672 [0,1,0,0,1,0|2,0,0]=4 302 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 P39316 [0,1,0,0,1,0|2,0,0]=4 303 B11R1.22 CC(CN)C1=CC=C(F)C=C1 P38013 [0,1,0,0,1,0|2,0,0]=4 304 B11R1.22 CC(NN)C1=CC=C(Br)C=C1 L20939 [0,1,0,0,1,0|1,0,0]=3 305 B11R1.22 CC(NN)C1=CC=C(Cl)C=C1 L20940 [0,1,0,0,1,0|1,0,0]=3 306 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 P36287 [0,1,0,0,1,0|2,0,0]=4 307 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 P36295 [0,1,0,0,1,0|2,0,0]=4 308 B11R1.22 CCC(N)C1=CC=C(F)C=C1 P36286 [0,1,0,0,1,0|2,0,0]=4 309 B11R1.22 CCC(O)C1=CC=C(Cl)C=C1 P41437 [0,1,0,0,1,0|2,0,0]=4 310 B11R1.22 CCN(C)C1=CC=C(N)C=C1 P39418 [0,1,0,0,1,0|2,0,0]=4 311 B11R1.23 CCC(N)C1=CC=CC(Cl)=C1 P38298 [0,1,0,0,1,0|2,0,0]=4 312 B11R1.23 CCC(O)C1=CC=CC(Cl)=C1 P38851 [0,1,0,0,1,0|2,0,0]=4 313 B11R1.222 CCC(N)C1=CC=CC=C1C P37948 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.222 CCC(N)C1=CC=CC=C1Cl Q66027 [0,1,0,0,1,0|2,0,0]=4 315 B11R1.222 CNC(=O)C1=CC=CC=C1Br P37075 [0,1,0,0,1,0|1,0,1]=4 316 B11R1.222 CNC(=O)C1=CC=CC=C1C O32523 [0,1,0,0,1,0|1,0,1]=4 317 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 P40074 [0,1,0,0,0,1|1,0,1]=4 318 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 P36526 [0,1,0,0,0,1|1,0,1]=4 319 B13R1.42 CCCC(C)CNC1=CC=CN=C1 Q58267 [0,1,0,0,0,1|2,0,0]=4 320 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 P40579 [0,1,0,0,0,1|1,0,1]=4 321 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 P42628 [0,1,0,0,0,1|1,0,1]=4 322 B13R1.254 CC(C)(CO)CNC1=CC=CC=C1 L20896 [0,1,0,0,0,1|2,0,0]=4 323 B13R1.417 ClCC(CBr)OCC1=CC=CC=C1 Q69275 [0,1,0,0,0,1|2,0,0]=4 324 B13R1.417 OCC(CO)OCC1=CC=CC=C1 P41165 [0,1,0,0,0,1|2,0,0]=4 325 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 P38987 [0,2,0,0,0,0|1,0,0]=3 326 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 P38986 [0,2,0,0,0,0|1,0,0]=3 327 B13R1.348 CN(C)C[C@H](N)CC1=CC=CC=C1 P35578 [0,2,0,0,0,0|1,0,0]=3 328 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 O30261 [0,2,0,0,0,0|1,0,1]=4 329 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O O31634 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.133 CN(C)C(=O)CC1=CC=C(Br)C=C1 P40084 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O P39307 [0,2,0,0,0,0|0,0,1]=3 332 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O P37373 [0,2,0,0,0,0|0,0,1]=3 333 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O O28350 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O Q69028 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O Q69030 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O Q69024 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O Q69027 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O O28334 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O P42590 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O P39504 [0,2,0,0,0,0|2,0,0]=4 341 B13R1.5 CNC(=O)CC1=CC=C(C#N)C=C1 P36034 [0,2,0,0,0,0|1,0,1]=4 342 B13R1.2679 CCC(N)CC1=CC=C(Cl)C=C1Cl P43116 [0,2,0,0,0,0|2,0,0]=4 343 B13R1.146 CCN(CC)CC1=CC=CC(Br)=C1 Q67884 [0,2,0,0,0,0|2,0,0]=4 344 B11R2.4 NC1CC1C2=CC=CC=C2 Q54793 [1,0,0,1,0,0|2,0,0]=4 345 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 L14213 [1,0,0,1,0,0|2,0,0]=4 346 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 L22363 [1,0,0,1,0,0|2,0,0]=4 347 B11R2.20 C1=CC2=C(C=C1)OCCC2 P37892 [1,0,0,1,0,0|2,0,0]=4 348 B11R2.20 C1=CC2=C(CNCC2)N=C1 G-7019 [1,0,0,1,0,0|1,0,0]=3 349 B11R2.20 C1=CN=C2CCNCC2=C1 I-9982 [1,0,0,1,0,0|1,0,0]=3 350 B11R2.20 C1=NC=C2CCNCC2=C1 P44511 [1,0,0,1,0,0|1,0,0]=3 351 B11R2.20 C1=NC=C2CNCCC2=N1 C-2931 [1,0,0,1,0,0|2,0,0]=4 352 B11R2.20 C1=NC=C2CNCCC2=N1 P51455 [1,0,0,1,0,0|2,0,0]=4 353 B11R2.20 C1=NC=NC2=C1CCNC2 G-6095 [1,0,0,1,0,0|2,0,0]=4 354 B11R2.20 C1=NC=NC2=C1CNCC2 I-9971 [1,0,0,1,0,0|2,0,0]=4 355 B11R2.20 C1=NC=NC2=C1CNCC2 L20044 [1,0,0,1,0,0|2,0,0]=4 356 B11R2.238 C1=CC(CC2CO2)=CC=N1 Q53152 [1,0,0,1,0,0|2,0,0]=4 357 B11R2.238 C1=CC=C(NC2CC2)C=C1 M22854 [1,0,0,1,0,0|2,0,0]=4 358 B11R2.239 C1=CC=C(C2CCN2)C=C1 O28163 [1,0,0,1,0,0|2,0,0]=4 359 B11R2.239 C1=CC=C(C2CNC2)C=C1 10749 [1,0,0,1,0,0|0,0,0]=2 360 B11R2.239 C1=CC=C(C2CNC2)C=C1 M22666 [1,0,0,1,0,0|0,0,0]=2 361 B11R2.239 C1=CN=C(C2CNC2)C=C1 P46398 [1,0,0,1,0,0|1,0,0]=3 362 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 L14886 [1,0,0,1,0,0|0,0,0]=2 363 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 I-9534 [1,0,0,1,0,0|0,0,0]=2 364 B11R2.40 NC1(C2=CC=CC=C2)CC1 P38187 [0,0,0,1,1,0|2,0,0]=4 365 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 H-8913 [0,0,0,1,0,1|1,0,0]=3 366 B13R2.32 CN1C(=O)NCC2=C1C=CC=C2 H-8618 [0,0,0,1,0,1|1,0,1]=4 367 B13R2.57 NCC1COC2=C(C=CC=C2)C1 O30324 [0,0,0,1,0,1|2,0,0]=4 368 B13R2.57 O=CC1COC2=C(C=CC=C2)C1 O29337 [0,0,0,1,0,1|2,0,0]=4 369 B13R2.57 OCC1CC2=C(C=CC=C2)CN1 P36953 [0,0,0,1,0,1|2,0,0]=4 370 B13R2.57 OCC1CC2=CC=CC=C2CO1 L20438 [0,0,0,1,0,1|2,0,0]=4 371 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 P38794 [0,0,0,1,0,1|1,0,0]=3 372 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 Q58375 [0,0,0,1,0,1|2,0,0]=4 373 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 O32528 [0,0,0,1,0,1|2,0,0]=4 374 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 O32529 [0,0,0,1,0,1|2,0,0]=4 375 B13R2.2383 C1=CN=CC(OC[C@@H]2CCN2)=C1 P40510 [0,0,0,1,0,1|1,0,0]=3 376 B13R2.15 N[C@@H]1CCC[C@H]1C2=CC=CC=C2 L19894 [0,1,0,1,0,0|2,0,0]=4 377 B13R2.15 OC1CCCC1C2=CC=CC=C2 P43293 [0,1,0,1,0,0|2,0,0]=4 378 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 F-4251 [0,1,0,1,0,0|1,0,0]=3 379 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 L13344 [0,1,0,1,0,0|1,0,0]=3 380 B13R2.15 O[C@@H]1CNC[C@H]1C2=CC=CC=C2 L22146 [0,1,0,1,0,0|1,0,0]=3 381 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 F-4642 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 G-7010 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.64 C1=CC(CC2CCNC2)=CN=C1 L19530 [0,1,0,1,0,0|1,0,0]=3 384 B13R2.64 C1=CC(OC2CCNC2)=CC=N1 P35024 [0,1,0,1,0,0|2,0,0]=4 385 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 O28725 [0,1,0,1,0,0|0,0,0]=2 386 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 O28255 [0,1,0,1,0,0|0,0,0]=2 387 B13R2.64 C1=CC=C(C[C@@H]2CCCN2)C=C1 P34775 [0,1,0,1,0,0|0,0,0]=2 388 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 M23194 [0,1,0,1,0,0|0,0,0]=2 389 B13R2.64 C1=CC=C(OC2CCNC2)C=C1 O28741 [0,1,0,1,0,0|1,0,0]=3 390 B13R2.64 C1=CC=C(O[C@@H]2CCNC2)C=C1 O28826 [0,1,0,1,0,0|1,0,0]=3 391 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 O28815 [0,1,0,1,0,0|1,0,0]=3 392 B13R2.64 C1=CN=C(OC2CCNC2)C=C1 P39333 [0,1,0,1,0,0|2,0,0]=4 393 B13R2.64 C1=CN=C(O[C@@H]2CCNC2)C=C1 O34302 [0,1,0,1,0,0|2,0,0]=4 394 B13R2.64 C1=CN=C(O[C@H]2CCNC2)C=C1 O34304 [0,1,0,1,0,0|2,0,0]=4 395 B13R2.64 C1=CN=CC(OC2CCNC2)=C1 P39561 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.64 C1=CN=CC(O[C@@H]2CCNC2)=C1 P39288 [0,1,0,1,0,0|2,0,0]=4 397 B13R2.163 O=C1CC2=CC=CC=C2CCN1 M22915 [0,1,0,1,0,0|1,0,1]=4 398 B13R2.221 CC1(OC2=CC=CC=C2)CNC1 O28324 [0,1,0,1,0,0|1,0,0]=3 399 B13R2.221 NC1(CC2=CC=CC=C2)COC1 H-8061 [0,1,0,1,0,0|2,0,0]=4 400 B13R2.221 NC1(CC2=CC=CC=C2)COC1 L13939 [0,1,0,1,0,0|2,0,0]=4 401 B13R2.444 OC(CC1=CC=CC=C1)C2CC2 O29708 [0,1,0,1,0,0|2,0,0]=4 402 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 O34324 [0,1,0,1,0,0|1,0,0]=3 403 B13R2.8137 N[C@@H](C1=CC=CC=C1)C2CCC2 P51530 [0,1,0,1,0,0|1,0,0]=3 404 B13R2.369 NC1CC2=C(C=CC=C2)CC1O L20042 [0,1,0,1,0,0|2,0,0]=4 405 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 Q56881 [0,1,0,1,0,0|2,0,0]=4 406 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 L22498 [0,1,0,1,0,0|2,0,0]=4 407 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 O33398 [0,1,0,1,0,0|2,0,0]=4 408 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O33360 [0,1,0,1,0,0|2,0,0]=4 409 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O34527 [0,1,0,1,0,0|2,0,0]=4 410 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 O32985 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 O33621 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.148 CC1=CC=C(CC2(N)CC2)C=C1 Q66085 [0,1,0,1,0,0|2,0,0]=4 413 B13R2.148 NC1(CC2=CC=C(Br)C=C2)CC1 Q66080 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.148 NC1(CC2=CC=C(Cl)C=C2)CC1 Q66034 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.148 NC1(CC2=CC=C(F)C=C2)CC1 H-8059 [0,1,0,1,0,0|2,0,0]=4 416 B13R2.148 NC1(CC2=CC=C(I)C=C2)CC1 Q66081 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.1069 BrC1=CC=C(CC2CNC2)C=C1 P34989 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.1069 BrC1=CC=C(CN2CCC2)C=C1 P42857 [0,1,0,1,0,0|2,0,0]=4 419 B13R2.1069 CC1=CC=C(CC2CNC2)C=C1 P34991 [0,1,0,1,0,0|2,0,0]=4 420 B13R2.1069 ClC1=CC=C(CC2CNC2)C=C1 P37122 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.1069 FC1=CC=C(CC2CNC2)C=C1 P34985 [0,1,0,1,0,0|2,0,0]=4 422 B13R2.1069 NC1=CC=C(OC2CCC2)C=C1 P42060 [0,1,0,1,0,0|2,0,0]=4 423 B13R2.3028 CN1C(=O)CC2=CC=C(N)C=C21 C-3375 [0,1,0,1,0,0|1,0,1]=4 424 B13R2.3683 CC1CC2=C(C=C(Br)C=C2)CN1 O29894 [0,1,0,1,0,0|0,0,0]=2 425 B13R2.3683 CC1CC2=C(C=C(Br)C=C2)CN1 P45099 [0,1,0,1,0,0|0,0,0]=2 426 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 P51613 [0,1,0,1,0,0|2,0,0]=4 427 B13R2.3683 NC1CCC2=C(C=CC(Br)=C2)C1 O32609 [0,1,0,1,0,0|2,0,0]=4 428 B13R2.152 CC1=CC(CC2(N)CC2)=CC=C1 Q66082 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.152 NC1(CC2=CC=CC(Br)=C2)CC1 Q66073 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.152 NC1(CC2=CC=CC(Cl)=C2)CC1 Q66078 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.152 NC1(CC2=CC=CC(F)=C2)CC1 Q66074 [0,1,0,1,0,0|2,0,0]=4 432 B13R2.152 NC1(CC2=CC=CC(I)=C2)CC1 Q66072 [0,1,0,1,0,0|2,0,0]=4 433 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 G-7883 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.155 CN1CCC2=C(C=C(O)C=C2)C1 O29767 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 Q70043 [0,1,0,1,0,0|1,0,1]=4 436 B13R2.3021 BrC1=CC(CC2CNC2)=CC=C1 P34986 [0,1,0,1,0,0|2,0,0]=4 437 B13R2.3021 ClC1=CC(CC2CNC2)=CC=C1 P43017 [0,1,0,1,0,0|2,0,0]=4 438 B13R2.3021 FC1=CC(CC2CNC2)=CC=C1 P34987 [0,1,0,1,0,0|2,0,0]=4 439 B13R2.4856 CN1C(=O)CC2=C1C(Br)=CC=C2 Q54220 [0,1,0,1,0,0|1,0,1]=4 440 B13R2.5179 O=C1CC2=C(CN1)C(Br)=CC=C2 Q70044 [0,1,0,1,0,0|1,0,1]=4 441 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 O31956 [0,1,0,1,0,0|1,0,1]=4 442 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 L14153 [0,1,0,1,0,0|1,0,1]=4 443 B13R2.101 C#CC1(CC2=CC=CC=C2)CC1 L21767 [0,1,0,1,0,0|1,0,1]=4 444 B13R2.103 NCC1(N)CC2=C(C=CC=C2)C1 Q70104 [0,1,0,1,0,0|2,0,0]=4 445 B13R2.222 O=S1(=O)CC2=CC=CC=C2CN1 Q69419 [0,1,0,1,0,0|2,0,0]=4 446 B13R2.217 CC1=CC=CC=C1CC2(N)CC2 Q66084 [0,1,0,1,0,0|2,0,0]=4 447 B13R2.217 NC1(CC2=CC=CC=C2Br)CC1 Q66071 [0,1,0,1,0,0|2,0,0]=4 448 B13R2.217 NC1(CC2=CC=CC=C2Cl)CC1 Q66079 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.217 NC1(CC2=CC=CC=C2F)CC1 Q66075 [0,1,0,1,0,0|2,0,0]=4 450 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2Br G-6689 [0,1,0,1,0,0|1,0,1]=4 451 B13R2.5225 BrC1=CC=CC=C1CC2CNC2 P43052 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.5225 ClC1=CC=CC=C1CC2CNC2 P34992 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.5225 FC1=CC=CC=C1CC2CNC2 P43053 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.12 CNCCC1=CC=CS1 P42768 [1,0,0,0,1,0|1,0,0]=3 455 B9R1.12 CNCCN1C=CC=N1 P34875 [1,0,0,0,1,0|2,0,0]=4 456 B9R1.6 CC(C)C1=NC=CC=C1 C-3354 [1,0,0,0,1,0|1,0,0]=3 457 B9R1.6 CC(N)C1=CC=NC=C1 P37797 [1,0,0,0,1,0|1,0,0]=3 458 B9R1.6 CC(N)C1=CC=NC=N1 Q51822 [1,0,0,0,1,0|2,0,0]=4 459 B9R1.6 CC(N)C1=CC=NN=C1 G-7533 [1,0,0,0,1,0|2,0,0]=4 460 B9R1.6 CC(N)C1=CC=NN=C1 L13924 [1,0,0,0,1,0|2,0,0]=4 461 B9R1.6 CC(N)C1=CN=CN=C1 G-5168 [1,0,0,0,1,0|2,0,0]=4 462 B9R1.6 CC(N)C1=CN=CN=C1 Q51812 [1,0,0,0,1,0|2,0,0]=4 463 B9R1.6 CC(N)C1=NC=CC=C1 P38151 [1,0,0,0,1,0|1,0,0]=3 464 B9R1.6 CC(N)C1=NC=CC=N1 Q55479 [1,0,0,0,1,0|2,0,0]=4 465 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Q53046 [1,0,0,0,1,0|1,0,0]=3 466 B9R1.6 C[C@@H](N)C1=CN=CC=C1 Q54675 [1,0,0,0,1,0|1,0,0]=3 467 B9R1.6 C[C@@H](N)C1=CN=CN=C1 I-9747 [1,0,0,0,1,0|2,0,0]=4 468 B9R1.6 C[C@@H](N)C1=NC=CC=N1 Q57196 [1,0,0,0,1,0|2,0,0]=4 469 B9R1.6 C[C@H](N)C1=CN=CN=C1 Q51933 [1,0,0,0,1,0|2,0,0]=4 470 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q57195 [1,0,0,0,1,0|2,0,0]=4 471 B9R1.6 C[C@H](N)C1=NC=CC=N1 Q65669 [1,0,0,0,1,0|2,0,0]=4 472 B9R1.13 CC(C)CN1C=CC=N1 Q67249 [1,0,0,0,1,0|2,0,0]=4 473 B13R1.718 CC(CBr)COCC1=CC=CC=C1 M23005 [0,0,0,0,0,2|2,0,0]=4