0 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.91 CC(N)COC1=CC=CC=C1 P38614 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 O=C(O)CCC1=CC=NN=C1 O33206 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.91 O=C(O)CCC1=NC=CC=N1 Q60533 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.91 O=C(O)CCC1=NC=NC=C1 Q60531 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.91 O=C(O)CCC1=NN=CC=C1 P45064 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.91 O=C(O)CNC1=NC=CC=C1 P37612 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.91 O=C(O)COC1=CC=CC=N1 P50811 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.91 O=C(O)COC1=CC=CC=N1 Q60650 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.91 O=C(O)COC1=CC=CN=C1 P35673 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [1,0,0,0,0,0|0,0,1]=2 15 B10R1.17 CCCCC1=CC=NC=C1 O30545 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.17 CNCCC1=CC=CC=C1 P37213 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.17 CNCCC1=CC=NC=C1 P37446 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 CNCCC1=NC=CC=C1 P40087 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 ICCCC1=CC=CC=C1 P38180 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 P35246 [0,1,0,0,0,0|1,0,0]=2 23 B12R1.21 CC(=O)NCC1=NC=C(Cl)N=C1 O31560 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.21 CC(=O)NCC1=NC=C(N)C=C1 O29811 [0,1,0,0,0,0|2,0,0]=3 25 B12R1.21 CC(=O)\C=C\C1=NC=C(C)C=C1 O32130 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.21 CC(C)NCC1=CC=C(Br)C=C1 P37152 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 P38287 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 P41482 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 P36503 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 P39657 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 Q60510 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 P37394 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 P37285 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 P38386 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.21 NC(=O)CNC1=CC=C(N)C=C1 Q66022 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 P37247 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 N24618 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.21 O=C(Cl)CSC1=CC=C(F)C=C1 L19955 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.21 O=C(O)CCC1=CC=C(Cl)N=C1 Q53181 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 P38000 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.21 O=C(O)CCC1=CC=C(F)N=C1 O29534 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 P40757 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 P41622 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 P37505 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 P38616 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.27 CC(CO)NCC1=CC=CC=C1 Q66178 [0,1,0,0,0,0|1,0,2]=4 47 B12R1.27 CC(CO)OCC1=CC=CC=C1 P36528 [0,1,0,0,0,0|0,0,2]=3 48 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [0,1,0,0,0,0|1,0,0]=2 50 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 O31764 [0,1,0,0,0,0|1,0,2]=4 51 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 10174 [0,1,0,0,0,0|1,0,2]=4 52 B12R1.27 NCC(=O)NCC1=CC=NC=C1 Q58283 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.27 NNC(=O)CCC1=CC=CC=C1 P38586 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.27 O=C(CCl)NCC1=CC=NC=C1 P42031 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O P43046 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Q60576 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.43 CC(CC1=NC=CC=C1)C(=O)O P43045 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O K12054 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P36885 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P43169 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P38459 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P38458 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P36517 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O O27942 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O P38457 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.43 O=C(O)C(=O)CC1=CC=CC=N1 Q58255 [0,1,0,0,0,0|3,0,0]=4 67 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 L20607 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.107 CC(CC(=O)O)C1=CC=CC=N1 Q60567 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Q60575 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 P38865 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.107 CN(C)CC(O)C1=CC=CC=C1 P36593 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 P36537 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 P40514 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M23149 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 P37013 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 P38684 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 P41103 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.125 CC(=O)NCC1=CC=CC=C1Br P36330 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.125 CC(C)NCC1=CC=CC=C1Br P35208 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.125 CC(C)NCC1=CC=CC=C1Cl P37993 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.125 CC(C)NCC1=CC=CC=C1F P35077 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 Q60514 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.125 CC1=CC=CC=C1CNC(C)C P35164 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.125 CC1=CC=CC=C1NCC(=O)O M22929 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.125 CC1=CC=NC=C1CCC(=O)O Q60489 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.125 CC1=CN=CC=C1CCC(=O)O Q60512 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.125 CN(C)CCC1=CC=CC=C1N O29840 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.125 NC(=O)CCC1=CC=CC=C1Br P37474 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.125 NC1=CC=CC=C1CCC(=O)[O-] M22770 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.125 O=C(O)CCC1=CC=NC=C1Cl Q60724 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.125 O=C(O)CNC1=CC=CC=C1Br P38198 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.125 O=C(O)CNC1=CC=CC=C1F P37600 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.125 O=C(O)COC1=CC=CC=C1Cl M22951 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 P38728 [0,1,0,0,0,0|1,0,0]=2 95 B12R1.226 CC(=O)NCC1=NC(N)=CC=C1 O30062 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.226 CC(C)NCC1=CC=CC(Br)=C1 P42663 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.226 CC(C)NCC1=CC=CC(Cl)=C1 P35254 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.226 CC(C)NCC1=CC=CC(F)=C1 P35255 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 P38460 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.226 CC1=CC(CCC(=O)O)=CC=N1 Q60479 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 Q60486 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.226 CC1=CC(CCC(=O)O)=NC=C1 Q60480 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.226 CC1=CC(CNC(C)C)=CC=C1 P35131 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 P40758 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.226 CC1=NC(CCC(=O)O)=CC=C1 Q60488 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 P37053 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.226 NC1=NC=CC(CCC(=O)O)=C1 O29533 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.226 O=C(O)CCC1=CC(F)=CN=C1 Q60660 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 P38005 [0,1,0,0,0,0|2,0,0]=3 110 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 P36632 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 Q60481 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.226 O=C(O)CNC1=CC=CC(Br)=C1 P38138 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 O28084 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 P38226 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 P50423 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.891 CS(=O)(=O)NCC1=CC=CN=C1 P38638 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.891 CS(=O)(=O)NCC1=CC=NC=C1 P38637 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.891 CS(=O)(=O)NCC1=NC=CC=C1 P36328 [0,1,0,0,0,0|3,0,0]=4 119 B12R2.22 NC1CC(C2=CC=CC=C2)C1 L13852 [0,0,0,1,0,0|2,0,1]=4 120 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 I-9024 [0,0,0,1,0,0|2,0,1]=4 121 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 I-9025 [0,0,0,1,0,0|2,0,1]=4 122 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [0,0,0,1,0,0|1,0,0]=2 123 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [0,0,0,1,0,0|1,0,0]=2 124 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 P39429 [0,0,0,1,0,0|1,0,0]=2 125 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 I-9788 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.24 O=C1CCC2=CC=CN=C2N1 C-3538 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 O34499 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 P51461 [0,0,0,1,0,0|2,0,0]=3 129 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [0,0,0,1,0,0|1,0,2]=4 130 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [0,0,0,1,0,0|1,0,2]=4 131 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 P41656 [0,0,0,1,0,0|2,0,1]=4 132 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 G-7597 [0,0,0,1,0,0|2,0,1]=4 133 B12R2.2403 O=S1(=O)NCC2=C1C=CC=C2 O29991 [0,0,0,1,0,0|3,0,0]=4 134 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [0,0,0,0,1,0|1,0,0]=2 135 B10R1.18 CC(=O)NC1=NC=NC=C1 O29559 [0,0,0,0,1,0|3,0,0]=4 136 B10R1.18 CC(C)OC1=NC=CC=C1 N24110 [0,0,0,0,1,0|2,0,1]=4 137 B10R1.18 NC(=S)CC1=CC=NC=C1 Q58253 [0,0,0,0,1,0|2,1,0]=4 138 B10R1.18 O=C(O)CC1=CC=NC=N1 Q51816 [0,0,0,0,1,0|3,0,0]=4 139 B10R1.18 O=C(O)CC1=CN=CN=C1 O33591 [0,0,0,0,1,0|3,0,0]=4 140 B10R1.18 O=C(O)CC1=CN=NC=C1 G-5165 [0,0,0,0,1,0|3,0,0]=4 141 B10R1.18 O=C(O)CC1=NC=CC=N1 G-5171 [0,0,0,0,1,0|3,0,0]=4 142 B10R1.18 O=C([O-])CC1=CC=NN=C1 L13382 [0,0,0,0,1,0|3,0,0]=4 143 B10R1.18 O=C([O-])CC1=NC=CC=N1 Q51814 [0,0,0,0,1,0|3,0,0]=4 144 B10R1.18 O=C([O-])CC1=NN=CC=C1 L13418 [0,0,0,0,1,0|3,0,0]=4 145 B10R1.66 CC(=O)CCC1=NC=CS1 L20139 [0,0,0,0,1,0|3,0,0]=4 146 B10R1.66 O=C(O)CCC1=CSC=C1 P40765 [0,0,0,0,1,0|3,0,0]=4 147 B10R1.66 O=C(O)CCN1C=CC=C1 P35344 [0,0,0,0,1,0|3,0,0]=4 148 B12R1.252 C=C(C)CNCC1=CC=CC=N1 Q58225 [0,0,0,0,0,1|3,0,0]=4 149 B12R1.252 C=C(C)CNCC1=CC=CN=C1 Q58227 [0,0,0,0,0,1|3,0,0]=4 150 B12R1.252 C=C(C)CNCC1=CC=NC=C1 Q58226 [0,0,0,0,0,1|3,0,0]=4 151 B12R1.252 CC(O)CNCC1=CC=CC=C1 Q66161 [0,0,0,0,0,1|1,0,2]=4 152 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 Q66162 [0,0,0,0,0,1|1,0,2]=4 153 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 Q66163 [0,0,0,0,0,1|1,0,2]=4 154 B12R1.252 O=C(O)CCCC1=CN=CC=C1 Q60813 [0,0,0,0,0,1|3,0,0]=4 155 B12R1.252 O=C(O)CCOC1=CC=CC=C1 P36446 [0,0,0,0,0,1|2,0,0]=3 156 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [2,0,0,0,0,0|1,0,1]=4 157 B9R1.8 CNCC1=CC=CN=C1 P35002 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.8 CNCC1=CC=NC=C1 P36555 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.8 CNCC1=NC=CC=C1 P39822 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.8 NNCC1=CC=CC=C1 P43525 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [2,0,0,0,0,0|1,0,0]=3 162 B11R1.1 CCOCC1=CC=C(Br)C=C1 Q68272 [1,1,0,0,0,0|0,0,1]=3 163 B11R1.1 CCOCC1=CN=C(N)C=C1 O29975 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.1 CNCCC1=CC=C(Br)C=C1 P36407 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.1 CNCCC1=CC=C(C)C=C1 P39523 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.1 CNCCC1=CC=C(Cl)C=C1 P38411 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.1 CNCCC1=CC=C(F)C=C1 P38002 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.16 CCCC(N)C1=CC=CC=C1 P39016 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.16 CNCC(C)C1=CC=CC=C1 P37180 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.16 COCC(N)C1=CC=CC=C1 P40515 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 P35167 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.16 COC[C@H](N)C1=CC=CC=C1 P36845 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.17 CNCCC1=CC=CC=C1Br Q66105 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.17 CNCCC1=CC=CC=C1C P36240 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.17 CNCCC1=CC=CC=C1Cl P37635 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.17 CNCCC1=CC=CC=C1F P37905 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.17 O=C\C=C\C1=CC=CC=C1F O29957 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.24 CCOCC1=CC(Br)=CN=C1 N26827 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.24 CNCCC1=CC=CC(Br)=C1 P36066 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.24 CNCCC1=CC=CC(C)=C1 P41493 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.24 CNCCC1=CC=CC(Cl)=C1 P37634 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.24 CNCCC1=CC=CC(F)=C1 P37712 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.28 BrCCCCC1=CC=CC=C1 P41514 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.28 CCCNCC1=CC=CC=C1 P39958 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.28 CNCCCC1=CC=CC=C1 P39485 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.28 ClCCOCC1=CC=CC=C1 P40573 [1,1,0,0,0,0|0,0,1]=3 187 B11R1.28 ICCCCC1=CC=CC=C1 P36870 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.28 ICCOCC1=CC=CC=C1 P37513 [1,1,0,0,0,0|0,0,1]=3 189 B11R1.28 N#CCOCC1=CC=CC=C1 P41519 [1,1,0,0,0,0|0,0,2]=4 190 B11R1.28 O=CCOCC1=CC=CC=C1 P37120 [1,1,0,0,0,0|0,0,0]=2 191 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.20 CC(=O)NC1=CC=C(Br)N=C1 P38969 [0,1,0,0,1,0|2,0,0]=4 194 B11R1.20 CC(=O)NC1=CC=C(N)N=C1 Q58423 [0,1,0,0,1,0|2,0,0]=4 195 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 L19034 [0,1,0,0,1,0|2,0,0]=4 196 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 M15214 [0,1,0,0,1,0|2,0,0]=4 197 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 P40160 [0,1,0,0,1,0|0,0,0]=2 198 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 P41430 [0,1,0,0,1,0|0,0,0]=2 199 B11R1.20 CC(C)OC1=CC=C(Br)C=C1 Q66408 [0,1,0,0,1,0|1,0,1]=4 200 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Q67546 [0,1,0,0,1,0|1,0,1]=4 201 B11R1.20 CC(C)OC1=CC=C(O)C=C1 O30893 [0,1,0,0,1,0|1,0,1]=4 202 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 P41684 [0,1,0,0,1,0|1,0,1]=4 203 B11R1.20 CN(C)CC1=CC=C(N)C=C1 P36889 [0,1,0,0,1,0|2,0,0]=4 204 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [0,1,0,0,1,0|1,0,0]=3 205 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 Q62419 [0,1,0,0,1,0|2,0,0]=4 206 B11R1.20 O=C(O)CC1=CC=C(Br)N=C1 P38230 [0,1,0,0,1,0|2,0,0]=4 207 B11R1.20 O=C(O)CC1=CC=C(F)C=N1 I-9943 [0,1,0,0,1,0|2,0,0]=4 208 B11R1.20 O=C(O)CC1=CC=C(I)C=N1 P49243 [0,1,0,0,1,0|2,0,0]=4 209 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 L13539 [0,1,0,0,1,0|2,0,0]=4 210 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 Q52525 [0,1,0,0,1,0|2,0,0]=4 211 B11R1.36 CC(C(=O)O)C1=CC=CN=C1 O29526 [0,1,0,0,1,0|2,0,0]=4 212 B11R1.36 CC(C(=O)O)C1=NC=CC=C1 O29926 [0,1,0,0,1,0|2,0,0]=4 213 B11R1.36 CC(C)C(C)C1=CC=CC=C1 P43269 [0,1,0,0,1,0|1,0,1]=4 214 B11R1.36 CC(C)C(N)C1=CC=CC=C1 P36744 [0,1,0,0,1,0|1,0,1]=4 215 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [0,1,0,0,1,0|1,0,0]=3 216 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 Q63762 [0,1,0,0,1,0|2,0,0]=4 217 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 Q63763 [0,1,0,0,1,0|2,0,0]=4 218 B11R1.36 N[C@H](C(=O)O)C1=CC=NC=C1 Q63764 [0,1,0,0,1,0|2,0,0]=4 219 B11R1.36 O=C(O)C(O)C1=CC=CN=C1 Q58337 [0,1,0,0,1,0|2,0,0]=4 220 B11R1.36 O=C(O)C(O)C1=CC=CN=C1 Q58338 [0,1,0,0,1,0|2,0,0]=4 221 B11R1.86 CC(=O)CC1=NC=CC=C1Br Q58439 [0,1,0,0,1,0|1,0,0]=3 222 B11R1.86 CC(=O)CC1=NC=CC=C1Cl Q58438 [0,1,0,0,1,0|1,0,0]=3 223 B11R1.86 CC(=O)OC1=CC=CC=C1Br P40333 [0,1,0,0,1,0|0,0,0]=2 224 B11R1.86 CC(C)OC1=CC=CC=C1F Q67217 [0,1,0,0,1,0|1,0,1]=4 225 B11R1.86 CC(N)CC1=C(O)C=CC=C1 L19732 [0,1,0,0,1,0|1,0,1]=4 226 B11R1.86 CC1=C(CC(=O)O)C=CC=N1 H-8205 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.86 CC1=CC=NC=C1CC(=O)O Q60617 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.86 CN(C)CC1=CC=CC=C1Br Q68057 [0,1,0,0,1,0|2,0,0]=4 229 B11R1.86 CN(C)CC1=CC=CC=C1N P40192 [0,1,0,0,1,0|2,0,0]=4 230 B11R1.86 NC1=CC=CC=C1CC(=O)O P38750 [0,1,0,0,1,0|1,0,0]=3 231 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 Q60647 [0,1,0,0,1,0|2,0,0]=4 232 B11R1.86 O=C(O)CC1=CC=CN=C1Cl G-5570 [0,1,0,0,1,0|2,0,0]=4 233 B11R1.86 O=C(O)CC1=CC=NC=C1Cl Q60592 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.86 O=C(O)CC1=NC=CC=C1Br I-9578 [0,1,0,0,1,0|2,0,0]=4 235 B11R1.86 O=C(O)CC1=NC=CC=C1O F-4648 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 Q69806 [0,1,0,0,1,0|2,0,0]=4 237 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 P38633 [0,1,0,0,1,0|0,0,0]=2 238 B11R1.157 CC(C)OC1=CC(F)=CC=C1 Q66828 [0,1,0,0,1,0|1,0,1]=4 239 B11R1.157 CC(C)OC1=CC=CC(O)=C1 N24861 [0,1,0,0,1,0|1,0,1]=4 240 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 L21790 [0,1,0,0,1,0|2,0,0]=4 241 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 Q60602 [0,1,0,0,1,0|2,0,0]=4 242 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 M15842 [0,1,0,0,1,0|2,0,0]=4 243 B11R1.157 CC1=CC=NC(CC(=O)O)=C1 Q52544 [0,1,0,0,1,0|2,0,0]=4 244 B11R1.157 CC1=NC=CC(CC(=O)O)=C1 Q52656 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.157 CN(C)CC1=CC(N)=CC=C1 P39096 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.157 CN(C)CC1=CC=CC(Br)=C1 Q67698 [0,1,0,0,1,0|2,0,0]=4 247 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 C-3500 [0,1,0,0,1,0|2,0,0]=4 248 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 P42693 [0,1,0,0,1,0|2,0,0]=4 249 B11R1.157 O=C(O)CC1=NC(F)=CC=C1 L21789 [0,1,0,0,1,0|2,0,0]=4 250 B11R1.157 O=C(O)CC1=NC(O)=CC=C1 S72816 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 Q60753 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.157 O=C(O)CC1=NC=CC(F)=C1 Q60777 [0,1,0,0,1,0|2,0,0]=4 253 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 M23204 [0,1,0,0,0,1|2,0,0]=4 254 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 P51582 [0,1,0,0,0,1|2,0,0]=4 255 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 P35292 [0,1,0,0,0,1|2,0,0]=4 256 B13R1.149 O=C(O)CCCC1=CC=CC(Cl)=C1 P39519 [0,1,0,0,0,1|2,0,0]=4 257 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 P36520 [0,1,0,0,0,1|2,0,0]=4 258 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 P35453 [0,1,0,0,0,1|2,0,0]=4 259 B13R1.158 NC1=CC=CC=C1OCCC(=O)O P51204 [0,1,0,0,0,1|2,0,0]=4 260 B13R1.158 O=C(O)CCCC1=CC=CC=C1Br P35220 [0,1,0,0,0,1|2,0,0]=4 261 B13R1.158 O=C(O)CCCC1=CC=CC=C1Cl P36596 [0,1,0,0,0,1|2,0,0]=4 262 B13R1.158 O=C(O)CCCC1=CC=CC=C1F P41252 [0,1,0,0,0,1|2,0,0]=4 263 B13R1.158 O=C(O)CCOC1=CC=CC=C1Br M23351 [0,1,0,0,0,1|2,0,0]=4 264 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 P38766 [0,1,0,0,0,1|1,0,0]=3 265 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 O28897 [0,1,0,0,0,1|2,0,0]=4 266 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 P41730 [0,1,0,0,0,1|2,0,0]=4 267 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 Q68980 [0,1,0,0,0,1|2,0,0]=4 268 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 P39247 [0,1,0,0,0,1|2,0,0]=4 269 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 Q68981 [0,1,0,0,0,1|2,0,0]=4 270 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 Q65636 [0,1,0,0,0,1|0,0,2]=4 271 B13R1.351 C[C@@H](O)C(=O)OCC1=CC=CC=C1 P36350 [0,1,0,0,0,1|0,0,2]=4 272 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 P37360 [0,1,0,0,0,1|0,0,2]=4 273 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 P41038 [0,1,0,0,0,1|2,0,0]=4 274 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 P37987 [0,1,0,0,0,1|2,0,0]=4 275 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 O30863 [0,1,0,0,0,1|2,0,0]=4 276 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 P36541 [0,1,0,0,0,1|2,0,0]=4 277 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 P35245 [0,1,0,0,0,1|2,0,0]=4 278 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 P38796 [0,1,0,0,0,1|2,0,0]=4 279 B13R1.513 O=C(O)CNCC1=CC=C(Br)C=C1 P40564 [0,1,0,0,0,1|2,0,0]=4 280 B13R1.513 O=C(O)CNCC1=CC=C(F)C=C1 P37829 [0,1,0,0,0,1|2,0,0]=4 281 B13R1.513 O=C(O)CNCC1=CC=C(O)C=C1 P39618 [0,1,0,0,0,1|2,0,0]=4 282 B13R1.718 CC(CBr)COCC1=CC=CC=C1 M23005 [0,1,0,0,0,1|1,0,1]=4 283 B13R1.718 COC(=O)COCC1=CC=CC=C1 Q66011 [0,1,0,0,0,1|0,0,0]=2 284 B13R1.718 NC(CO)COCC1=CC=CC=C1 P42920 [0,1,0,0,0,1|1,0,1]=4 285 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 P37225 [0,1,0,0,0,1|1,0,1]=4 286 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 P37226 [0,1,0,0,0,1|1,0,1]=4 287 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 P45466 [0,1,0,0,0,1|0,0,2]=4 288 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 P47292 [0,1,0,0,0,1|0,0,2]=4 289 B13R1.3 NCC1=CC=C(CCC(=O)O)C=C1 P37476 [0,2,0,0,0,0|2,0,0]=4 290 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 P36526 [0,2,0,0,0,0|1,0,0]=3 291 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 P36248 [0,2,0,0,0,0|1,0,0]=3 292 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 P39021 [0,2,0,0,0,0|1,0,0]=3 293 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 P38714 [0,2,0,0,0,0|1,0,0]=3 294 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 P35204 [0,2,0,0,0,0|1,0,0]=3 295 B13R1.14 COC(=O)CCC1=CC=C(N)N=C1 P51670 [0,2,0,0,0,0|2,0,0]=4 296 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 P41704 [0,2,0,0,0,0|2,0,0]=4 297 B13R1.14 COC(=O)CNC1=CC=C(N)C=C1 Q66035 [0,2,0,0,0,0|2,0,0]=4 298 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 P37906 [0,2,0,0,0,0|2,0,0]=4 299 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 P34794 [0,2,0,0,0,0|1,0,1]=4 300 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 P38253 [0,2,0,0,0,0|1,0,1]=4 301 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 P38255 [0,2,0,0,0,0|1,0,1]=4 302 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 O34260 [0,2,0,0,0,0|1,0,1]=4 303 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 P39000 [0,2,0,0,0,0|1,0,1]=4 304 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 O28951 [0,2,0,0,0,0|2,0,0]=4 305 B13R1.132 CC1=CC=C([C@H](N)CC(=O)O)C=C1 O28914 [0,2,0,0,0,0|2,0,0]=4 306 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 P40045 [0,2,0,0,0,0|2,0,0]=4 307 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 P37138 [0,2,0,0,0,0|2,0,0]=4 308 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 O28809 [0,2,0,0,0,0|2,0,0]=4 309 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 P41709 [0,2,0,0,0,0|2,0,0]=4 310 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 O28893 [0,2,0,0,0,0|2,0,0]=4 311 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 O28469 [0,2,0,0,0,0|2,0,0]=4 312 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Br)C=C1 O28606 [0,2,0,0,0,0|2,0,0]=4 313 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(F)C=C1 P41027 [0,2,0,0,0,0|2,0,0]=4 314 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(O)C=C1 O28468 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.132 O=C(O)CC(O)C1=CC=C(O)C=C1 M23080 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O O31634 [0,2,0,0,0,0|2,0,0]=4 317 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 10746 [0,2,0,0,0,0|2,0,0]=4 318 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 O28340 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.133 O=C(O)C(=O)CC1=CC=C(F)C=C1 O28428 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 P40943 [0,2,0,0,0,0|2,0,0]=4 321 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(O)C=C1 O32356 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.164 CC(=O)CCC1=CC=C(Cl)C=C1F O29579 [0,2,0,0,0,0|1,0,0]=3 323 B13R1.164 CC1=CC(Cl)=CC=C1CCC(=O)O P35524 [0,2,0,0,0,0|2,0,0]=4 324 B13R1.164 CC1=CC=C(CCC(=O)O)C(Br)=C1 M23365 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.164 O=C(O)CCC1=CC=C(Br)C=C1F P41604 [0,2,0,0,0,0|2,0,0]=4 326 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl P40517 [0,2,0,0,0,0|2,0,0]=4 327 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1F P41574 [0,2,0,0,0,0|2,0,0]=4 328 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1O P37397 [0,2,0,0,0,0|2,0,0]=4 329 B13R1.511 CC(=O)OCC1=CC(=O)C(O)=CO1 L18963 [0,2,0,0,0,0|1,0,0]=3 330 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1C P39352 [0,2,0,0,0,0|2,0,0]=4 331 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 P39354 [0,2,0,0,0,0|2,0,0]=4 332 B13R1.511 O=C(O)CCC1=CC=C(F)C(Br)=C1 M23186 [0,2,0,0,0,0|2,0,0]=4 333 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 P42738 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 P41685 [0,2,0,0,0,0|1,0,0]=3 335 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 P40074 [0,2,0,0,0,0|1,0,1]=4 336 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 10666 [0,2,0,0,0,0|1,0,1]=4 337 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 M22874 [0,2,0,0,0,0|1,0,0]=3 338 B13R1.11 COC(=O)CC(N)C1=CC=NC=C1 Q58292 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 M23064 [0,2,0,0,0,0|1,0,0]=3 340 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23616 [0,2,0,0,0,0|1,0,0]=3 341 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23881 [0,2,0,0,0,0|1,0,0]=3 342 B13R1.15 COC(=O)CCC1=CC=CC(N)=C1 P42938 [0,2,0,0,0,0|1,0,0]=3 343 B13R1.15 COC(=O)CNC1=CC=CC(Br)=C1 P41893 [0,2,0,0,0,0|2,0,0]=4 344 B13R1.15 COC(=O)COC1=CC=CC(N)=C1 P40905 [0,2,0,0,0,0|2,0,0]=4 345 B13R1.42 C=CNC(=O)OCC1=CC=CC=C1 K10831 [0,2,0,0,0,0|0,0,1]=3 346 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 P39137 [0,2,0,0,0,0|2,0,0]=4 347 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 P42873 [0,2,0,0,0,0|1,0,0]=3 348 B13R1.42 NCCC(=O)NCC1=CC=CC=N1 Q58249 [0,2,0,0,0,0|2,0,0]=4 349 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 P50928 [0,2,0,0,0,0|1,0,0]=3 350 B13R1.135 CN(CC1=CC=CN=C1)C(=O)CN Q58301 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.135 CN(CC1=CC=NC=C1)C(=O)CN Q58305 [0,2,0,0,0,0|2,0,0]=4 352 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 P40579 [0,2,0,0,0,0|1,0,0]=3 353 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 P42628 [0,2,0,0,0,0|1,0,0]=3 354 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 P43149 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.417 ClCC(CBr)OCC1=CC=CC=C1 Q69275 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.417 OCC(CO)OCC1=CC=CC=C1 P41165 [0,2,0,0,0,0|0,0,2]=4 357 B13R1.528 COC(=O)CCC1=CC=CC=C1Br P36769 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.528 COC(=O)CCC1=CC=CC=C1F P41253 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.528 COC(=O)CNC1=CC=CC=C1F P41703 [0,2,0,0,0,0|2,0,0]=4 360 B13R1.148 CC1=CC(C[C@@H](N)C(=O)O)=CC=C1 P42532 [0,2,0,0,0,0|2,0,0]=4 361 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 P42534 [0,2,0,0,0,0|2,0,0]=4 362 B13R1.148 NC(CC1=CC=CC(I)=C1)C(=O)O O28939 [0,2,0,0,0,0|2,0,0]=4 363 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O P39861 [0,2,0,0,0,0|2,0,0]=4 364 B13R1.148 N[C@@H](CC1=CC=CC(O)=C1)C(=O)O M15660 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.148 N[C@H](CC1=CC=CC(I)=C1)C(=O)O P42108 [0,2,0,0,0,0|2,0,0]=4 366 B13R1.148 N[C@H](CC1=CC=CC(O)=C1)C(=O)O O28389 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 P34795 [0,2,0,0,0,0|2,0,0]=4 368 B13R1.148 O=C(O)C(=O)CC1=CC=CC(O)=C1 P37992 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.202 CC1=CC=CC=C1C[C@@H](N)C(=O)O O28101 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.202 NC(CC1=CC=CC=C1I)C(=O)O O28928 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.202 NC(CC1=CC=CC=C1O)C(=O)O P39476 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.202 NC1=CC=CC=C1CC(N)C(=O)O P40491 [0,2,0,0,0,0|2,0,0]=4 373 B13R1.202 NC1=CC=CC=C1C[C@@H](N)C(=O)O P38558 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.202 N[C@@H](CC1=CC=CC=C1I)C(=O)O P40681 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O P36335 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.202 N[C@H](CC1=CC=CC=C1I)C(=O)O P36365 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O P39452 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1Cl P38429 [0,2,0,0,0,0|2,0,0]=4 379 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O P39307 [0,2,0,0,0,0|2,0,0]=4 380 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O P37373 [0,2,0,0,0,0|2,0,0]=4 381 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O O28350 [0,2,0,0,0,0|2,0,0]=4 382 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O Q69028 [0,2,0,0,0,0|2,0,0]=4 383 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O Q69030 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O Q69024 [0,2,0,0,0,0|2,0,0]=4 385 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O Q69027 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O O28334 [0,2,0,0,0,0|2,0,0]=4 387 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O P42590 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O P39504 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.147 CC(=O)CC(=O)C1=CC=CC(Br)=C1 P41012 [0,2,0,0,0,0|1,0,1]=4 390 B13R1.147 CC(=O)CC(=O)C1=CC=CC(C)=C1 P37054 [0,2,0,0,0,0|1,0,1]=4 391 B13R1.147 CC(=O)CC(=O)C1=CC=CC(Cl)=C1 P41819 [0,2,0,0,0,0|1,0,1]=4 392 B13R1.147 CC(=O)CC(=O)C1=CC=CC(F)=C1 P36175 [0,2,0,0,0,0|1,0,1]=4 393 B13R1.147 CC1=CC(C(N)CC(=O)O)=CC=C1 P36622 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.147 CC1=CC([C@@H](N)CC(=O)O)=CC=C1 O28583 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.147 CC1=CC([C@H](N)CC(=O)O)=CC=C1 O28895 [0,2,0,0,0,0|2,0,0]=4 396 B13R1.147 NC(CC(=O)O)C1=CC=CC(Br)=C1 P42459 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.147 NC(CC(=O)O)C1=CC=CC(Cl)=C1 P36620 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.147 NC(CC(=O)O)C1=CC=CC(O)=C1 P42950 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1 M22611 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 O28581 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 O28608 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(O)=C1 O28449 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(Br)=C1 O28823 [0,2,0,0,0,0|2,0,0]=4 404 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(Cl)=C1 O28952 [0,2,0,0,0,0|2,0,0]=4 405 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(F)=C1 O28866 [0,2,0,0,0,0|2,0,0]=4 406 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(O)=C1 O28448 [0,2,0,0,0,0|2,0,0]=4 407 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1Br P37336 [0,2,0,0,0,0|1,0,1]=4 408 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1C O30227 [0,2,0,0,0,0|1,0,1]=4 409 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1Cl P37383 [0,2,0,0,0,0|1,0,1]=4 410 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1F P41717 [0,2,0,0,0,0|1,0,1]=4 411 B13R1.201 CC1=CC=CC=C1C(N)CC(=O)O O28033 [0,2,0,0,0,0|2,0,0]=4 412 B13R1.201 CC1=CC=CC=C1[C@@H](N)CC(=O)O P36366 [0,2,0,0,0,0|2,0,0]=4 413 B13R1.201 CC1=CC=CC=C1[C@H](N)CC(=O)O P36265 [0,2,0,0,0,0|2,0,0]=4 414 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br P42461 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F P42460 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1O P37359 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Br O28570 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Cl O28580 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1F O28639 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Br O28889 [0,2,0,0,0,0|2,0,0]=4 421 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Cl O28807 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1F P41028 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 O31714 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.90 N#CC1=CC=CC=C1CCC(=O)O P39099 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.150 CC1=C(C)C(CCC(=O)O)=CC=C1 P39353 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.150 CC1=C(Cl)C=CC=C1CCC(=O)O P35526 [0,2,0,0,0,0|2,0,0]=4 427 B13R1.150 O=C(O)CCC1=CC=CC(F)=C1F O28357 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.150 O=C(O)CCC1=CC=CC(O)=C1O P38477 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.893 O=C(O)CCC1=CC(F)=CC=C1F O27988 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.3787 CC(=O)COC1=C(C)C=CC=C1C O31296 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.3787 O=C(O)CCC1=C(F)C=CC=C1F O28239 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.643 N#CC1=CC(CCC(=O)O)=CC=C1 P38139 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.3420 CC1=CC(C)=CC(CCC(=O)O)=C1 P38140 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(Cl)=C1 P34850 [0,2,0,0,0,0|2,0,0]=4 435 B11R2.1 CC1=CNC2=C1C=CC=C2 I-9262 [1,0,0,1,0,0|2,0,0]=4 436 B11R2.1 CC1=NNC2=C1C=CC=C2 C-2144 [1,0,0,1,0,0|2,0,0]=4 437 B11R2.1 CC1=NOC2=CC=CC=C21 O30125 [1,0,0,1,0,0|2,0,0]=4 438 B11R2.1 O=C1CCC2=C1C=CN=C2 L22316 [1,0,0,1,0,0|2,0,0]=4 439 B11R2.1 O=C1CCC2=NC=CC=C12 G-6870 [1,0,0,1,0,0|2,0,0]=4 440 B11R2.1 O=C1NCC2=C1C=CC=C2 I-9101 [1,0,0,1,0,0|1,0,0]=3 441 B11R2.1 O=C1NCC2=CC=NC=C12 C-2838 [1,0,0,1,0,0|2,0,0]=4 442 B11R2.1 O=C1SNC2=CC=CC=C12 L18705 [1,0,0,1,0,0|1,1,0]=4 443 B11R2.239 C1=CC=C(C2CCN2)C=C1 O28163 [1,0,0,1,0,0|1,0,1]=4 444 B11R2.239 C1=CC=C(C2CNC2)C=C1 10749 [1,0,0,1,0,0|2,0,0]=4 445 B11R2.239 C1=CC=C(C2CNC2)C=C1 M22666 [1,0,0,1,0,0|2,0,0]=4 446 B11R2.10 CC1=NC2=C(C=CN=C2)O1 O34256 [0,0,0,1,1,0|2,0,0]=4 447 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 L14886 [0,0,0,1,1,0|1,0,1]=4 448 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 I-9534 [0,0,0,1,1,0|1,0,1]=4 449 B11R2.10 O=C1CC2=C(C=NC=C2)N1 L14128 [0,0,0,1,1,0|2,0,0]=4 450 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476 [0,0,0,1,1,0|2,0,0]=4 451 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476-01 [0,0,0,1,1,0|2,0,0]=4 452 B11R2.10 O=C1CC2=CC=NC=C2N1 C-2345 [0,0,0,1,1,0|2,0,0]=4 453 B11R2.10 O=C1CC2=CN=CC=C2N1 C-3239 [0,0,0,1,1,0|2,0,0]=4 454 B11R2.10 O=C1CC2=NC=CC=C2N1 C-2343 [0,0,0,1,1,0|2,0,0]=4 455 B11R2.10 O=C1CN2C=CC=CC2=N1 O31095 [0,0,0,1,1,0|2,0,0]=4 456 B11R2.36 O=C1CCC2=C(C=CN2)C1 Q65373 [0,0,0,1,1,0|2,0,0]=4 457 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [0,0,0,1,0,1|2,0,0]=4 458 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 I-9905 [0,0,0,1,0,1|1,0,0]=3 459 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 10153 [0,0,0,1,0,1|2,0,0]=4 460 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 P41249 [0,0,0,1,0,1|2,0,0]=4 461 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 M22700 [0,0,0,1,0,1|2,0,0]=4 462 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 P51546 [0,0,0,1,0,1|2,0,0]=4 463 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 P51529 [0,0,0,1,0,1|2,0,0]=4 464 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 O34538 [0,0,0,1,0,1|2,0,0]=4 465 B13R2.163 O=C1CC2=CC=CC=C2CCN1 M22915 [0,0,0,1,0,1|1,0,0]=3 466 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 Q56881 [0,0,0,1,0,1|2,0,0]=4 467 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 L22498 [0,0,0,1,0,1|2,0,0]=4 468 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 O33398 [0,0,0,1,0,1|2,0,0]=4 469 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O33360 [0,0,0,1,0,1|2,0,0]=4 470 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O34527 [0,0,0,1,0,1|2,0,0]=4 471 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 O32985 [0,0,0,1,0,1|2,0,0]=4 472 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 O33621 [0,0,0,1,0,1|2,0,0]=4 473 B13R2.147 CC1=CC=C(C2CC(=O)N2)C=C1 P39794 [0,1,0,1,0,0|1,0,0]=3 474 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 P39325 [0,1,0,1,0,0|1,0,0]=3 475 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)N1 L20848 [0,1,0,1,0,0|1,0,0]=3 476 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)N1 P39793 [0,1,0,1,0,0|1,0,0]=3 477 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)N1 P35036 [0,1,0,1,0,0|1,0,0]=3 478 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 Q70043 [0,1,0,1,0,0|1,0,0]=3 479 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 M15801 [0,1,0,1,0,0|1,0,0]=3 480 B13R2.32 CN1C(=O)NCC2=C1C=CC=C2 H-8618 [0,1,0,1,0,0|1,0,0]=3 481 B13R2.33 O=C1CCC2=CC=CC=C2CC1 Q70223 [0,1,0,1,0,0|1,0,0]=3 482 B13R2.57 OCC1CC2=CC=CC=C2CO1 L20438 [0,1,0,1,0,0|0,0,2]=4 483 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 O32528 [0,1,0,1,0,0|1,0,1]=4 484 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 O32529 [0,1,0,1,0,0|1,0,1]=4 485 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 P38123 [0,1,0,1,0,0|1,0,1]=4 486 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 H-8757 [0,1,0,1,0,0|2,0,0]=4 487 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 Q62630 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 P34766 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.216 CC1=CC=CC=C1C2CC(=O)N2 P35881 [0,1,0,1,0,0|1,0,0]=3 490 B13R2.216 O=C1CC(C2=CC=CC=C2Cl)N1 P35883 [0,1,0,1,0,0|1,0,0]=3 491 B13R2.216 O=C1CC(C2=CC=CC=C2F)N1 P35879 [0,1,0,1,0,0|1,0,0]=3 492 B13R2.222 O=S1(=O)CC2=CC=CC=C2CN1 Q69419 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.5179 O=C1CC2=C(CN1)C(Br)=CC=C2 Q70044 [0,1,0,1,0,0|1,0,0]=3 494 B13R2.5179 O=C1CCC2=C(C=CC=C2Br)N1 O30080 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 O30284 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)N1 P35152 [0,1,0,1,0,0|1,0,0]=3 497 B13R2.151 O=C1CC(C2=CC=CC(Cl)=C2)N1 P35037 [0,1,0,1,0,0|1,0,0]=3 498 B13R2.162 CC1=CC=CC2=C1NC(=O)CC2 M22763 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.162 O=C1CCC2=C(C1)C(O)=CC=C2 M15815 [0,1,0,1,0,0|1,0,0]=3 500 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 P39589 [0,1,0,1,0,0|2,0,0]=4 501 B13R2.3683 O=C1NC2=CC=C(Br)C=C2CO1 G-7693 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [0,0,0,0,2,0|1,0,0]=3 503 B9R1.6 CC(=O)C1=CC=NN=C1 G-6740 [0,0,0,0,2,0|2,0,0]=4 504 B9R1.6 CC(=O)C1=CN=CN=C1 G-5167 [0,0,0,0,2,0|2,0,0]=4 505 B9R1.6 CC(=O)C1=NC=CC=N1 G-6326 [0,0,0,0,2,0|2,0,0]=4 506 B9R1.6 CC(=O)C1=NC=NC=C1 O34283 [0,0,0,0,2,0|2,0,0]=4 507 B9R1.6 CC(=O)C1=NN=CC=C1 C-2755 [0,0,0,0,2,0|2,0,0]=4 508 B9R1.6 CS(=O)C1=NC=CC=C1 O34232 [0,0,0,0,2,0|2,0,0]=4 509 B9R1.13 O=C(O)CC1=CC=CS1 I-9532 [0,0,0,0,2,0|2,0,0]=4 510 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 O31532 [0,0,0,0,0,2|1,0,0]=3 511 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 P39101 [0,0,0,0,0,2|1,0,0]=3