0 B11R1.91 CC(=O)C#CC1=CC=CC=C1 P40366 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 CC(N)COC1=CC=CC=C1 P38614 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.91 NC(=O)COC1=CC=CC=C1 P51047 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.91 O=C(O)CCC1=CC=CN=C1 P38473 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.91 O=C(O)CCC1=CC=NC=C1 P36936 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.91 O=C(O)CCC1=CC=NN=C1 O33206 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.91 O=C(O)CCC1=NC=CC=C1 P41024 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.91 O=C(O)CCC1=NC=CC=N1 Q60533 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.91 O=C(O)CCC1=NC=NC=C1 Q60531 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.91 O=C(O)CCC1=NN=CC=C1 P45064 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.91 O=C(O)CNC1=NC=CC=C1 P37612 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.91 O=C(O)CNC1=NC=CC=N1 P36004 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.91 O=C(O)COC1=CC=CC=N1 P50811 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.91 O=C(O)COC1=CC=CC=N1 Q60650 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.91 O=C(O)COC1=CC=CN=C1 P35673 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.91 O=C(O)COC1=NC=CC=N1 Q60596 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.91 O=C(O)\C=C\C1=CC=NC=N1 Q58672 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.91 O=C(O)\C=C\C1=CN=CN=C1 Q60664 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 O32453 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 P50961 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.17 C#CCOC1=CC=CC=C1 P41520 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.17 C=COCC1=CC=CC=C1 I-9956 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 CNCCC1=CC=CC=C1 P37213 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 ICCCC1=CC=CC=C1 P38180 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.17 NCCOC1=CC=CN=C1 O34354 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.17 NCCOC1=CC=NC=C1 P51450 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.17 NCCOC1=NC=CC=C1 O34316 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.17 O=CCCC1=CC=NC=C1 Q60378 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.17 O=CCOC1=CC=CC=C1 K12296 [1,0,0,0,0,0|0,0,0]=1 29 B10R1.17 OCCCC1=NC=CC=C1 P39056 [1,0,0,0,0,0|2,0,1]=4 30 B12R1.21 CC(=O)NCC1=CC=C(Br)C=C1 P35246 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.21 CC(C)COC1=CC=C(Br)C=C1 N25559 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.21 CC(C)COC1=CC=C(F)C=C1 N26826 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.21 CC(N)COC1=CC=C(Br)C=C1 P36534 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.21 CC(N)COC1=CC=C(Cl)C=C1 P39492 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.21 CC(N)COC1=CC=C(F)C=C1 P42374 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 P39657 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 P39024 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.21 CC1=NC=C(CCC(=O)O)C=C1 Q60510 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.21 CC1=NC=C(OCC(=O)O)C=N1 Q60663 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.21 NC(=O)CCC1=CC=C(Br)C=C1 P37285 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 P38386 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.21 NC(=O)CNC1=CC=C(N)C=C1 Q66022 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 P37247 [0,1,0,0,0,0|1,0,0]=2 44 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 N24618 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.21 O=C(Cl)CSC1=CC=C(F)C=C1 L19955 [0,1,0,0,0,0|1,1,0]=3 46 B12R1.21 O=C(O)CCC1=CC=C(Cl)N=C1 Q53181 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 P38000 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.21 O=C(O)CCC1=CC=C(F)N=C1 O29534 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 P40757 [0,1,0,0,0,0|1,0,0]=2 50 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 P41622 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 P37505 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 P38616 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.21 O=C(O)COC1=NC=C(Cl)C=C1 Q60704 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)N=C1 P51524 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 Q69909 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.27 C#CC(O)CCC1=CC=CC=C1 L19306 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.27 COC(=O)CNC1=CC=CC=C1 P39503 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.27 NNC(=O)CCC1=CC=CC=C1 P38586 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.27 OC(CCl)COC1=CC=CC=C1 O34043 [0,1,0,0,0,0|1,0,1]=3 61 B12R1.43 CC(CC1=CC=CN=C1)C(=O)O P43046 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Q60576 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.43 CC(CC1=NC=CC=C1)C(=O)O P43045 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.43 CC(CC1=NC=CC=N1)C(=O)O Q60744 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.43 CC(CC1=NC=NC=C1)C(=O)O Q60710 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O K12054 [0,1,0,0,0,0|0,0,0]=1 67 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O P51664 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O Q63780 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P36885 [0,1,0,0,0,0|2,0,0]=3 70 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P43169 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P38459 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.43 N[C@@H](CC1=CN=CN=C1)C(=O)O Q63782 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P38458 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P36517 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O O27942 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.43 N[C@H](CC1=CN=CN=C1)C(=O)O Q63781 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O P38457 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.43 O=C(O)C(=O)CC1=CC=CC=N1 Q58255 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.43 O=C(O)C(=O)NC1=CN=CC=C1 L18737 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.43 O=C(O)\C(F)=C\C1=CC=CN=C1 Q58319 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.107 CC(CC(=O)O)C1=CC=CC=N1 Q60567 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Q60575 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 M23149 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.107 CN(CC(=O)O)C1=NC=CC=N1 S72633 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 P37013 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 P38684 [0,1,0,0,0,0|2,0,0]=3 87 B12R1.107 NC(CC(=O)O)C1=NC=CC=C1 P41103 [0,1,0,0,0,0|2,0,0]=3 88 B12R1.125 CC(=O)NCC1=CC=CC=C1Br P36330 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.125 CC1=C(CCC(=O)O)C=CC=N1 Q60514 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.125 CC1=CC=CC=C1NCC(=O)O M22929 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.125 CC1=CC=NC=C1CCC(=O)O Q60489 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.125 CC1=CN=CC=C1CCC(=O)O Q60512 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.125 CC1=NC=NC=C1CCC(=O)O Q60696 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.125 NC(=O)CCC1=CC=CC=C1Br P37474 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.125 NC1=CC=CC=C1CCC(=O)[O-] M22770 [0,1,0,0,0,0|1,0,1]=3 96 B12R1.125 O=C(O)CCC1=CC=NC=C1Cl Q60724 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.125 O=C(O)CNC1=CC=CC=C1Br P38198 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.125 O=C(O)CNC1=CC=CC=C1F P37600 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.125 O=C(O)COC1=CC=CC=C1Cl M22951 [0,1,0,0,0,0|0,0,0]=1 100 B12R1.125 O=C(O)COC1=NC=CC=C1F Q70039 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 P38728 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 P38460 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.226 CC1=CC(CCC(=O)O)=CC=N1 Q60479 [0,1,0,0,0,0|2,0,0]=3 104 B12R1.226 CC1=CC(CCC(=O)O)=CN=C1 Q60486 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.226 CC1=CC(CCC(=O)O)=NC=C1 Q60480 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.226 CC1=CC(NCC(=O)O)=NC=N1 Q58536 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 P40758 [0,1,0,0,0,0|0,0,0]=1 108 B12R1.226 CC1=NC(CCC(=O)O)=CC=C1 Q60488 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.226 CC1=NC(\C=C\C(=O)O)=CC=C1 Q60610 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 P37053 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.226 NC1=NC=CC(CCC(=O)O)=C1 O29533 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.226 O=C(O)CCC1=CC(F)=CN=C1 Q60660 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 P38005 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 P36632 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.226 O=C(O)CCC1=NC=CC(F)=C1 Q60481 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.226 O=C(O)CNC1=CC=CC(Br)=C1 P38138 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 O28084 [0,1,0,0,0,0|0,0,0]=1 118 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 P38226 [0,1,0,0,0,0|0,0,0]=1 119 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 P50423 [0,1,0,0,0,0|1,0,1]=3 120 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [0,0,0,1,0,0|2,0,0]=3 121 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [0,0,0,1,0,0|2,0,0]=3 122 B12R2.22 OC1CN(C2=CC=CC=C2)C1 L18106 [0,0,0,1,0,0|2,0,1]=4 123 B12R2.24 NC1COC2=C(C=CC=C2)C1 O34395 [0,0,0,1,0,0|2,0,1]=4 124 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 O34281 [0,0,0,1,0,0|2,0,1]=4 125 B12R2.24 N[C@H]1COC2=C(C=CC=C2)C1 O34576 [0,0,0,1,0,0|2,0,1]=4 126 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 P39429 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 I-9788 [0,0,0,1,0,0|3,0,0]=4 128 B12R2.24 O=C1CCC2=CC=CN=C2N1 C-3538 [0,0,0,1,0,0|3,0,0]=4 129 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 O34499 [0,0,0,1,0,0|2,0,0]=3 130 B12R2.24 O=C1COC2=NC=CC=C2N1 Q70041 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 P51461 [0,0,0,1,0,0|1,1,0]=3 132 B12R2.24 O=C1CSC2=NC=CC=C2N1 L19465 [0,0,0,1,0,0|2,1,0]=4 133 B12R2.24 OC1=CC2=CC=CC=C2C=N1 G-6644 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.24 OC1=CC2=CC=CC=C2N=C1 Q67519 [0,0,0,1,0,0|2,0,1]=4 135 B12R2.24 OC1CNC2=C(C=CC=C2)C1 O33538 [0,0,0,1,0,0|2,0,1]=4 136 B12R2.24 O[C@@H]1CCC2=C(C=CC=C2)C1 Q69508 [0,0,0,1,0,0|2,0,1]=4 137 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 O33190 [0,0,0,1,0,0|2,0,1]=4 138 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 O32386 [0,0,0,1,0,0|2,0,1]=4 139 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 O33189 [0,0,0,1,0,0|2,0,1]=4 140 B10R1.18 CC(=O)CC1=CC=CN=C1 P36950 [0,0,0,0,1,0|2,0,0]=3 141 B10R1.18 NC(=S)CC1=CC=NC=C1 Q58253 [0,0,0,0,1,0|2,1,0]=4 142 B10R1.18 O=C(O)CC1=CC=NC=N1 Q51816 [0,0,0,0,1,0|2,0,0]=3 143 B10R1.18 O=C(O)CC1=CN=CN=C1 O33591 [0,0,0,0,1,0|2,0,0]=3 144 B10R1.18 O=C(O)CC1=CN=NC=C1 G-5165 [0,0,0,0,1,0|2,0,0]=3 145 B10R1.18 O=C(O)CC1=NC=CC=N1 G-5171 [0,0,0,0,1,0|2,0,0]=3 146 B10R1.18 O=C([O-])CC1=CC=NN=C1 L13382 [0,0,0,0,1,0|2,0,1]=4 147 B10R1.18 O=C([O-])CC1=NC=CC=N1 Q51814 [0,0,0,0,1,0|2,0,1]=4 148 B10R1.18 O=C([O-])CC1=NN=CC=C1 L13418 [0,0,0,0,1,0|2,0,1]=4 149 B10R1.66 O=C(O)CCC1=CNC=N1 O30645 [0,0,0,0,1,0|3,0,0]=4 150 B10R1.66 O=C(O)CCC1=CNN=C1 Q60485 [0,0,0,0,1,0|3,0,0]=4 151 B10R1.66 O=C(O)CCC1=CSC=C1 P40765 [0,0,0,0,1,0|2,0,0]=3 152 B10R1.66 O=C(O)CCN1C=CC=C1 P35344 [0,0,0,0,1,0|2,0,0]=3 153 B10R1.66 O=C(O)CCN1C=CC=N1 P35313 [0,0,0,0,1,0|3,0,0]=4 154 B10R1.66 O=C(O)CCN1C=CN=C1 P40203 [0,0,0,0,1,0|3,0,0]=4 155 B10R1.66 O=C(O)\C=C\C1=CC=CO1 P45498 [0,0,0,0,1,0|2,0,1]=4 156 B12R1.252 CC(O)CNCC1=CC=CC=C1 Q66161 [0,0,0,0,0,1|2,0,1]=4 157 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 Q66162 [0,0,0,0,0,1|2,0,1]=4 158 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 Q66163 [0,0,0,0,0,1|2,0,1]=4 159 B12R1.252 O=C(O)CCCC1=CN=CC=C1 Q60813 [0,0,0,0,0,1|2,0,0]=3 160 B12R1.252 O=C(O)CCOC1=CC=CC=C1 P36446 [0,0,0,0,0,1|0,0,0]=1 161 B9R1.8 C=CCC1=CC=CC=N1 Q62450 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.8 NNCC1=CC=CC=C1 P43525 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.8 O=CCC1=CN=CC=C1 Q60356 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.8 OCCC1=CC=CN=C1 O28068 [2,0,0,0,0,0|1,0,1]=4 165 B9R1.8 OCCC1=CC=NC=C1 P37585 [2,0,0,0,0,0|1,0,1]=4 166 B11R1.1 BrCCOC1=CC=C(Br)C=C1 P40240 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.1 C#CCOC1=CC=C(Br)C=C1 P38782 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.1 C#CCOC1=CC=C(C)C=C1 P37379 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.1 C#CCOC1=CC=C(Cl)C=C1 P40177 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.1 C#CCOC1=CC=C(F)C=C1 P42073 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.1 C#CCOC1=CC=C(N)C=C1 P39226 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.1 C=CCOC1=CC=C(Br)C=C1 M22970 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.1 C=CCOC1=CC=C(Cl)C=C1 P41385 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.1 CC1=CC=C(CCCO)C=C1 P37548 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.1 CC1=CC=C(OCCN)C=C1 P39224 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.1 CC1=CC=C(OCCO)C=C1 P41034 [1,1,0,0,0,0|0,0,1]=3 177 B11R1.1 COCOC1=CC=C(Br)C=C1 Q66626 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.1 COCOC1=CC=C(C)C=C1 Q67077 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.1 COCOC1=CC=C(Cl)C=C1 Q66756 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.1 COCOC1=CC=C(F)C=C1 Q66729 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.1 ClC1=CC=C(OCCBr)C=C1 P39956 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.1 ClCCOC1=CC=C(Br)C=C1 Q66285 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.1 FCCOC1=CC=C(Br)C=C1 Q66290 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.1 N#CCOC1=CC=C(F)C=C1 P39441 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.1 NC1=CC=C(CCCO)C=C1 O28226 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.1 NC1=CC=C(NCCO)C=C1 P40155 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.1 NC1=CC=C(OCCO)C=C1 P36875 [1,1,0,0,0,0|0,0,1]=3 188 B11R1.1 NCCOC1=CC=C(Br)C=C1 P39225 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.1 NCCOC1=CC=C(Cl)C=C1 P39041 [1,1,0,0,0,0|1,0,1]=4 190 B11R1.1 NCCOC1=CC=C(F)C=C1 P37101 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.1 NCCOC1=CC=C(N)C=C1 P36425 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.1 NCCOC1=CC=C(O)C=C1 P37780 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.1 OCCCC1=CC=C(Br)C=C1 P39318 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.1 OCCCC1=CC=C(F)C=C1 P36540 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.1 OCCOC1=CC=C(Br)C=C1 P38648 [1,1,0,0,0,0|0,0,1]=3 196 B11R1.1 OCCOC1=CC=C(Cl)C=C1 P40217 [1,1,0,0,0,0|0,0,1]=3 197 B11R1.1 OCCOC1=CC=C(F)C=C1 P39022 [1,1,0,0,0,0|0,0,1]=3 198 B11R1.1 OCCOC1=CC=C(I)C=C1 P39004 [1,1,0,0,0,0|0,0,1]=3 199 B11R1.1 OCCOC1=NC=C(Br)C=C1 N25245 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 P35908 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 P40616 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.17 C#CCOC1=CC=CC=C1C P37378 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.17 CC1=CC=CC=C1OCCBr P40239 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.17 CC1=CC=CC=C1OCCN P39223 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.17 CC1=CC=CC=C1OCCO P37048 [1,1,0,0,0,0|0,0,1]=3 206 B11R1.17 COCOC1=C(N)C=CC=C1 L20232 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.17 COCOC1=CC=CC=C1Br Q66625 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.17 COCOC1=CC=CC=C1C Q68157 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.17 COCOC1=CC=CC=C1Cl N25780 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.17 COCOC1=CC=CC=C1F Q66727 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.17 ClC1=CC=CC=C1OCCBr P40241 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.17 N#CCOC1=CC=CC=C1N P38881 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.17 NC1=CC=CC=C1OCCO P38113 [1,1,0,0,0,0|0,0,1]=3 214 B11R1.17 NCCOC1=CC=CC=C1Br P39218 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.17 NCCOC1=CC=CC=C1Cl P39230 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.17 NCCOC1=CC=CC=C1F P42323 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.17 O=C\C=C\C1=CC=CC=C1F O29957 [1,1,0,0,0,0|1,0,1]=4 218 B11R1.17 OCCCC1=CC=CC=C1Cl P36965 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.17 OCCCC1=CC=CC=C1F P36169 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.17 OCCOC1=CC=CC=C1Br P38647 [1,1,0,0,0,0|0,0,1]=3 221 B11R1.17 OCCOC1=CC=CC=C1Cl P40969 [1,1,0,0,0,0|0,0,1]=3 222 B11R1.17 OCCOC1=CC=CC=C1F P39023 [1,1,0,0,0,0|0,0,1]=3 223 B11R1.17 OCCOC1=CC=CC=C1I P36652 [1,1,0,0,0,0|0,0,1]=3 224 B11R1.24 C#CCOC1=CC=CC(C)=C1 P37380 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.24 CC1=CC(CCCO)=CC=C1 P42630 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.24 CC1=CC(OCCN)=CC=C1 P36838 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.24 CC1=CC(OCCO)=CC=C1 P41522 [1,1,0,0,0,0|0,0,1]=3 228 B11R1.24 CCCOC1=CC(Br)=CC=C1 Q66928 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.24 COCOC1=CC(Br)=CC=C1 Q66574 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.24 COCOC1=CC(Cl)=CC=C1 Q66406 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.24 COCOC1=CC(F)=CC=C1 Q66728 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.24 N#CCOC1=CC=CC(Br)=C1 P34857 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.24 N#CCOC1=CC=CC(F)=C1 P41549 [1,1,0,0,0,0|1,0,1]=4 234 B11R1.24 N#CCOC1=CC=CC(O)=C1 P42751 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.24 NC1=CC=CC(OCCO)=C1 P37761 [1,1,0,0,0,0|0,0,1]=3 236 B11R1.24 NCCOC1=CC(O)=CC=C1 Q66030 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.24 NCCOC1=CC=CC(Br)=C1 P35063 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.24 NCCOC1=CC=CC(Cl)=C1 P36837 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.24 NCCOC1=CC=CC(F)=C1 P42322 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.24 OCCCC1=CC=CC(Br)=C1 P36802 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.24 OCCCC1=CC=CC(Cl)=C1 P39520 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.24 OCCCC1=CC=CC(F)=C1 P40929 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.24 OCCCC1=CC=CC(O)=C1 P41291 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.24 OCCOC1=CC=CC(Br)=C1 P36001 [1,1,0,0,0,0|0,0,1]=3 245 B11R1.24 OCCOC1=CC=CC(Cl)=C1 P37049 [1,1,0,0,0,0|0,0,1]=3 246 B11R1.24 OCCOC1=CC=CC(Cl)=N1 Q58465 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.24 OCCOC1=CC=CC(F)=C1 P41246 [1,1,0,0,0,0|0,0,1]=3 248 B11R1.24 OCCOC1=CC=CC(I)=C1 P36653 [1,1,0,0,0,0|0,0,1]=3 249 B11R1.28 ClCCOCC1=CC=CC=C1 P40573 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.28 ICCOCC1=CC=CC=C1 P37513 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.28 N#CCOCC1=CC=CC=C1 P41519 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.28 NCCCOC1=CC=CC=C1 P36207 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.28 O=CCOCC1=CC=CC=C1 P37120 [1,1,0,0,0,0|0,0,0]=2 254 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.40 CC(CN)OC1=CC=CC=C1 P36860 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 P40160 [0,1,0,0,1,0|1,0,0]=3 258 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 P41430 [0,1,0,0,1,0|1,0,0]=3 259 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [0,1,0,0,1,0|1,0,0]=3 260 B11R1.20 NC1=CN=C(CC(=O)O)N=C1 F-4355 [0,1,0,0,1,0|2,0,0]=4 261 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 Q62419 [0,1,0,0,1,0|1,0,0]=3 262 B11R1.20 O=C(O)CC1=CC=C(Br)N=C1 P38230 [0,1,0,0,1,0|1,0,0]=3 263 B11R1.20 O=C(O)CC1=CC=C(F)C=N1 I-9943 [0,1,0,0,1,0|1,0,0]=3 264 B11R1.20 O=C(O)CC1=CC=C(I)C=N1 P49243 [0,1,0,0,1,0|1,0,0]=3 265 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 L13539 [0,1,0,0,1,0|1,0,0]=3 266 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 G-6586 [0,1,0,0,1,0|2,0,0]=4 267 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 Q52525 [0,1,0,0,1,0|1,0,0]=3 268 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 L14934 [0,1,0,0,1,0|2,0,0]=4 269 B11R1.36 CC(C(=O)O)C1=CC=CN=C1 O29526 [0,1,0,0,1,0|1,0,0]=3 270 B11R1.36 CC(C(=O)O)C1=NC=CC=C1 O29926 [0,1,0,0,1,0|1,0,0]=3 271 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 P37697 [0,1,0,0,1,0|1,0,0]=3 272 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 Q63762 [0,1,0,0,1,0|1,0,0]=3 273 B11R1.36 NC(C(=O)O)C1=CN=CN=C1 Q63768 [0,1,0,0,1,0|2,0,0]=4 274 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 Q63763 [0,1,0,0,1,0|1,0,0]=3 275 B11R1.36 N[C@@H](C(=O)O)C1=CN=CN=C1 Q63769 [0,1,0,0,1,0|2,0,0]=4 276 B11R1.36 N[C@H](C(=O)O)C1=CC=NC=C1 Q63764 [0,1,0,0,1,0|1,0,0]=3 277 B11R1.36 N[C@H](C(=O)O)C1=CN=CN=C1 Q63770 [0,1,0,0,1,0|2,0,0]=4 278 B11R1.36 O=C(O)C(O)C1=CC=CN=C1 Q58337 [0,1,0,0,1,0|1,0,0]=3 279 B11R1.36 O=C(O)C(O)C1=CC=CN=C1 Q58338 [0,1,0,0,1,0|1,0,0]=3 280 B11R1.86 CC(=O)CC1=NC=CC=C1Br Q58439 [0,1,0,0,1,0|2,0,0]=4 281 B11R1.86 CC(=O)CC1=NC=CC=C1Cl Q58438 [0,1,0,0,1,0|2,0,0]=4 282 B11R1.86 CC(=O)OC1=CC=CC=C1Br P40333 [0,1,0,0,1,0|1,0,0]=3 283 B11R1.86 CC1=C(CC(=O)O)C=CC=N1 H-8205 [0,1,0,0,1,0|1,0,0]=3 284 B11R1.86 CC1=CC=NC=C1CC(=O)O Q60617 [0,1,0,0,1,0|1,0,0]=3 285 B11R1.86 NC1=CC=CC=C1CC(=O)O P38750 [0,1,0,0,1,0|0,0,0]=2 286 B11R1.86 O=C(O)CC1=C(Cl)C=CC=N1 Q60647 [0,1,0,0,1,0|1,0,0]=3 287 B11R1.86 O=C(O)CC1=CC=CN=C1Cl G-5570 [0,1,0,0,1,0|1,0,0]=3 288 B11R1.86 O=C(O)CC1=CC=NC=C1Cl Q60592 [0,1,0,0,1,0|1,0,0]=3 289 B11R1.86 O=C(O)CC1=NC=CC=C1Br I-9578 [0,1,0,0,1,0|1,0,0]=3 290 B11R1.86 O=C(O)CC1=NC=CC=C1O F-4648 [0,1,0,0,1,0|1,0,0]=3 291 B11R1.86 OB(O)CC1=C(Cl)C=CC=C1 L20522 [0,1,0,0,1,0|1,0,1]=4 292 B11R1.157 CC(=O)OC1=CC=CC(Br)=C1 P38633 [0,1,0,0,1,0|1,0,0]=3 293 B11R1.157 CC1=CC(CB(O)O)=CC=C1 L20484 [0,1,0,0,1,0|1,0,1]=4 294 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 L21790 [0,1,0,0,1,0|1,0,0]=3 295 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 Q60602 [0,1,0,0,1,0|1,0,0]=3 296 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 M15842 [0,1,0,0,1,0|1,0,0]=3 297 B11R1.157 CC1=CC=NC(CC(=O)O)=C1 Q52544 [0,1,0,0,1,0|1,0,0]=3 298 B11R1.157 CC1=NC=CC(CC(=O)O)=C1 Q52656 [0,1,0,0,1,0|1,0,0]=3 299 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 C-3500 [0,1,0,0,1,0|1,0,0]=3 300 B11R1.157 O=C(O)CC1=NC(Br)=CC=C1 P42693 [0,1,0,0,1,0|1,0,0]=3 301 B11R1.157 O=C(O)CC1=NC(F)=CC=C1 L21789 [0,1,0,0,1,0|1,0,0]=3 302 B11R1.157 O=C(O)CC1=NC(O)=CC=C1 S72816 [0,1,0,0,1,0|1,0,0]=3 303 B11R1.157 O=C(O)CC1=NC=CC(Cl)=C1 Q60753 [0,1,0,0,1,0|1,0,0]=3 304 B11R1.157 O=C(O)CC1=NC=CC(F)=C1 Q60777 [0,1,0,0,1,0|1,0,0]=3 305 B11R1.509 O=S(=O)(O)CC1=CC=CC=N1 Q62430 [0,1,0,0,1,0|2,0,0]=4 306 B11R1.35 NC(CC1=CSC=C1)C(=O)O O27897 [0,1,0,0,1,0|2,0,0]=4 307 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O O28616 [0,1,0,0,1,0|2,0,0]=4 308 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O O28900 [0,1,0,0,1,0|2,0,0]=4 309 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O O28615 [0,1,0,0,1,0|2,0,0]=4 310 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O O28680 [0,1,0,0,1,0|2,0,0]=4 311 B11R1.35 N[C@H](CC1=CSC=C1)C(=O)O O28617 [0,1,0,0,1,0|2,0,0]=4 312 B11R1.35 O=C(O)[C@H](O)CC1=CC=CS1 P35098 [0,1,0,0,1,0|2,0,0]=4 313 B11R1.75 CN1C=C(OCC(=O)O)C=N1 Q60656 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.77 NC(CC(=O)O)C1=CC=CS1 P40323 [0,1,0,0,1,0|2,0,0]=4 315 B11R1.77 NC(CC(=O)O)C1=CSC=C1 M22979 [0,1,0,0,1,0|2,0,0]=4 316 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 M23204 [0,1,0,0,0,1|1,0,0]=3 317 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 P51582 [0,1,0,0,0,1|1,0,0]=3 318 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 P35292 [0,1,0,0,0,1|1,0,0]=3 319 B13R1.149 O=C(O)CCCC1=CC=CC(Cl)=C1 P39519 [0,1,0,0,0,1|1,0,0]=3 320 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 P36520 [0,1,0,0,0,1|1,0,0]=3 321 B13R1.149 O=C(O)CCNC1=CC=CC(F)=C1 P35453 [0,1,0,0,0,1|1,0,0]=3 322 B13R1.158 NC1=CC=CC=C1OCCC(=O)O P51204 [0,1,0,0,0,1|0,0,0]=2 323 B13R1.158 O=C(O)CCCC1=CC=CC=C1Br P35220 [0,1,0,0,0,1|1,0,0]=3 324 B13R1.158 O=C(O)CCCC1=CC=CC=C1Cl P36596 [0,1,0,0,0,1|1,0,0]=3 325 B13R1.158 O=C(O)CCCC1=CC=CC=C1F P41252 [0,1,0,0,0,1|1,0,0]=3 326 B13R1.158 O=C(O)CCCN1C=CC=CC1=O L20059 [0,1,0,0,0,1|2,0,0]=4 327 B13R1.158 O=C(O)CCOC1=CC=CC=C1Br M23351 [0,1,0,0,0,1|0,0,0]=2 328 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 P38766 [0,1,0,0,0,1|2,0,0]=4 329 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 O28897 [0,1,0,0,0,1|1,0,0]=3 330 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 P41730 [0,1,0,0,0,1|1,0,0]=3 331 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 Q68980 [0,1,0,0,0,1|1,0,0]=3 332 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 P39247 [0,1,0,0,0,1|1,0,0]=3 333 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 Q68981 [0,1,0,0,0,1|1,0,0]=3 334 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 P40954 [0,1,0,0,0,1|1,0,0]=3 335 B13R1.351 CC(NCC1=CC=CC=N1)C(=O)O Q58247 [0,1,0,0,0,1|2,0,0]=4 336 B13R1.351 CC(NCC1=CC=CC=N1)C(=O)O Q58248 [0,1,0,0,0,1|2,0,0]=4 337 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 P41038 [0,1,0,0,0,1|1,0,0]=3 338 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 P37987 [0,1,0,0,0,1|1,0,0]=3 339 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 O30863 [0,1,0,0,0,1|1,0,0]=3 340 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 P36541 [0,1,0,0,0,1|1,0,0]=3 341 B13R1.513 O=C(O)CCNC1=CC=C(Br)C=C1 P35245 [0,1,0,0,0,1|1,0,0]=3 342 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 P38796 [0,1,0,0,0,1|0,0,0]=2 343 B13R1.513 O=C(O)CNCC1=CC=C(Br)C=C1 P40564 [0,1,0,0,0,1|1,0,0]=3 344 B13R1.513 O=C(O)CNCC1=CC=C(F)C=C1 P37829 [0,1,0,0,0,1|1,0,0]=3 345 B13R1.513 O=C(O)CNCC1=CC=C(O)C=C1 P39618 [0,1,0,0,0,1|1,0,0]=3 346 B13R1.718 COC(=O)COCC1=CC=CC=C1 Q66011 [0,1,0,0,0,1|0,0,0]=2 347 B13R1.718 NC(CO)COCC1=CC=CC=C1 P42920 [0,1,0,0,0,1|1,0,1]=4 348 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 P37225 [0,1,0,0,0,1|1,0,1]=4 349 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 P37226 [0,1,0,0,0,1|1,0,1]=4 350 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 P45466 [0,1,0,0,0,1|0,0,2]=4 351 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 P47292 [0,1,0,0,0,1|0,0,2]=4 352 B13R1.3 COC1=NC=C(CCC(=O)O)C=C1 Q60513 [0,2,0,0,0,0|2,0,0]=4 353 B13R1.3 N#CC1=CC=C(OCC(=O)O)C=C1 O28052 [0,2,0,0,0,0|0,0,0]=2 354 B13R1.3 NCC1=CC=C(CCC(=O)O)C=C1 P37476 [0,2,0,0,0,0|1,0,0]=3 355 B13R1.14 CC1=CC=C(OCC(=O)NN)C=N1 Q58467 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 P36526 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.14 COC(=O)CCC1=CC=C(Br)C=C1 P36248 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 P39021 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.14 COC(=O)CCC1=CC=C(I)C=C1 P38714 [0,2,0,0,0,0|1,0,0]=3 360 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 P35204 [0,2,0,0,0,0|1,0,0]=3 361 B13R1.14 COC(=O)CCC1=CC=C(N)N=C1 P51670 [0,2,0,0,0,0|2,0,0]=4 362 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 P41704 [0,2,0,0,0,0|1,0,0]=3 363 B13R1.14 COC(=O)CNC1=CC=C(N)C=C1 Q66035 [0,2,0,0,0,0|1,0,0]=3 364 B13R1.14 COC(=O)COC1=CC=C(Br)C=C1 P37906 [0,2,0,0,0,0|0,0,0]=2 365 B13R1.14 COC(=O)\C=C\C1=CC=C(F)C=C1 P34794 [0,2,0,0,0,0|1,0,1]=4 366 B13R1.14 OCC(O)COC1=CC=C(Br)C=C1 O31232 [0,2,0,0,0,0|0,0,2]=4 367 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 P38253 [0,2,0,0,0,0|2,0,0]=4 368 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 P38255 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 O34260 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 P39000 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.132 CC1=CC=C([C@@H](N)CC(=O)O)C=C1 O28951 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.132 CC1=CC=C([C@H](N)CC(=O)O)C=C1 O28914 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.132 CN(CC(N)=O)C1=CC=C(N)C=C1 P41381 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 P40045 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 P37138 [0,2,0,0,0,0|1,0,0]=3 376 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 O28809 [0,2,0,0,0,0|1,0,0]=3 377 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Cl)C=C1 P41709 [0,2,0,0,0,0|1,0,0]=3 378 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(F)C=C1 O28893 [0,2,0,0,0,0|1,0,0]=3 379 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 O28469 [0,2,0,0,0,0|1,0,0]=3 380 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Br)C=C1 O28606 [0,2,0,0,0,0|1,0,0]=3 381 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(F)C=C1 P41027 [0,2,0,0,0,0|1,0,0]=3 382 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(O)C=C1 O28468 [0,2,0,0,0,0|1,0,0]=3 383 B13R1.132 O=C(O)CC(O)C1=CC=C(O)C=C1 M23080 [0,2,0,0,0,0|1,0,0]=3 384 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O O31634 [0,2,0,0,0,0|1,0,0]=3 385 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O O28024 [0,2,0,0,0,0|0,0,0]=2 386 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O O28065 [0,2,0,0,0,0|0,0,0]=2 387 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)O O28022 [0,2,0,0,0,0|0,0,0]=2 388 B13R1.133 CC(SC1=CC=C(Cl)C=C1)C(=O)O P40295 [0,2,0,0,0,0|0,1,0]=3 389 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 O27945 [0,2,0,0,0,0|0,0,0]=2 390 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 10746 [0,2,0,0,0,0|1,0,0]=3 391 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 O28340 [0,2,0,0,0,0|1,0,1]=4 392 B13R1.133 O=C(O)C(=O)CC1=CC=C(F)C=C1 O28428 [0,2,0,0,0,0|1,0,1]=4 393 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 P40943 [0,2,0,0,0,0|1,0,1]=4 394 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(O)C=C1 O32356 [0,2,0,0,0,0|1,0,0]=3 395 B13R1.164 CC(=O)CCC1=CC=C(Cl)C=C1F O29579 [0,2,0,0,0,0|2,0,0]=4 396 B13R1.164 CC1=CC(Cl)=CC=C1CCC(=O)O P35524 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.164 CC1=CC(F)=CC=C1OCC(=O)O P38024 [0,2,0,0,0,0|0,0,0]=2 398 B13R1.164 CC1=CC=C(CCC(=O)O)C(Br)=C1 M23365 [0,2,0,0,0,0|1,0,0]=3 399 B13R1.164 CC1=CC=C(OCC(=O)O)C(Cl)=C1 M23362 [0,2,0,0,0,0|0,0,0]=2 400 B13R1.164 O=C(O)CCC1=CC=C(Br)C=C1F P41604 [0,2,0,0,0,0|1,0,0]=3 401 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl P40517 [0,2,0,0,0,0|1,0,0]=3 402 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1F P41574 [0,2,0,0,0,0|1,0,0]=3 403 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1O P37397 [0,2,0,0,0,0|1,0,0]=3 404 B13R1.164 O=C(O)CNC1=CC=C(F)C=C1F O29630 [0,2,0,0,0,0|1,0,0]=3 405 B13R1.164 O=C(O)COC1=CC=C(Cl)C=C1F P38806 [0,2,0,0,0,0|0,0,0]=2 406 B13R1.164 O=C(O)COC1=CC=C(F)C=C1Cl P38309 [0,2,0,0,0,0|0,0,0]=2 407 B13R1.164 O=C(O)\C=C\C1=CC=C(Cl)C=C1Cl P39902 [0,2,0,0,0,0|1,0,1]=4 408 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl M23363 [0,2,0,0,0,0|0,0,0]=2 409 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1C P39352 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 P39354 [0,2,0,0,0,0|1,0,0]=3 411 B13R1.511 O=C(O)CCC1=CC=C(F)C(Br)=C1 M23186 [0,2,0,0,0,0|1,0,0]=3 412 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 P42738 [0,2,0,0,0,0|1,0,0]=3 413 B13R1.511 O=C(O)CNC1=CC=C(Cl)C(Cl)=C1 P36828 [0,2,0,0,0,0|1,0,0]=3 414 B13R1.511 O=C(O)COC1=CC=C(Cl)C(Cl)=C1 O28032 [0,2,0,0,0,0|0,0,0]=2 415 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 P40074 [0,2,0,0,0,0|2,0,0]=4 416 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 10666 [0,2,0,0,0,0|1,0,0]=3 417 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 P37489 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 P35904 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 P36252 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 M22874 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.11 COC(=O)CC(N)C1=CC=NC=C1 Q58292 [0,2,0,0,0,0|2,0,0]=4 422 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 M23064 [0,2,0,0,0,0|1,0,0]=3 423 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23616 [0,2,0,0,0,0|1,0,0]=3 424 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 M23881 [0,2,0,0,0,0|1,0,0]=3 425 B13R1.15 COC(=O)CCC1=CC=CC(N)=C1 P42938 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.15 COC(=O)CNC1=CC=CC(Br)=C1 P41893 [0,2,0,0,0,0|1,0,0]=3 427 B13R1.15 COC(=O)COC1=CC=CC(N)=C1 P40905 [0,2,0,0,0,0|0,0,0]=2 428 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 P39137 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 P40579 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 P42628 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 P43149 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.528 COC(=O)CCC1=CC=CC=C1Br P36769 [0,2,0,0,0,0|1,0,0]=3 433 B13R1.528 COC(=O)CCC1=CC=CC=C1F P41253 [0,2,0,0,0,0|1,0,0]=3 434 B13R1.528 COC(=O)CNC1=CC=CC=C1F P41703 [0,2,0,0,0,0|1,0,0]=3 435 B13R1.148 CC(OC1=CC=CC(F)=C1)C(=O)O M23298 [0,2,0,0,0,0|0,0,0]=2 436 B13R1.148 CC1=CC(C[C@@H](N)C(=O)O)=CC=C1 P42532 [0,2,0,0,0,0|1,0,0]=3 437 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 P42534 [0,2,0,0,0,0|1,0,0]=3 438 B13R1.148 NC(CC1=CC=CC(I)=C1)C(=O)O O28939 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.148 N[C@@H](CC1=CC=CC(I)=C1)C(=O)O P39861 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.148 N[C@@H](CC1=CC=CC(O)=C1)C(=O)O M15660 [0,2,0,0,0,0|1,0,0]=3 441 B13R1.148 N[C@H](CC1=CC=CC(I)=C1)C(=O)O P42108 [0,2,0,0,0,0|1,0,0]=3 442 B13R1.148 N[C@H](CC1=CC=CC(O)=C1)C(=O)O O28389 [0,2,0,0,0,0|1,0,0]=3 443 B13R1.148 O=C(O)C(=O)CC1=CC=CC(Cl)=C1 P34795 [0,2,0,0,0,0|1,0,1]=4 444 B13R1.148 O=C(O)C(=O)CC1=CC=CC(O)=C1 P37992 [0,2,0,0,0,0|1,0,1]=4 445 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O O28105 [0,2,0,0,0,0|0,0,0]=2 446 B13R1.202 CC1=CC=CC=C1C[C@@H](N)C(=O)O O28101 [0,2,0,0,0,0|1,0,0]=3 447 B13R1.202 NC(CC1=CC=CC=C1I)C(=O)O O28928 [0,2,0,0,0,0|1,0,0]=3 448 B13R1.202 NC(CC1=CC=CC=C1O)C(=O)O P39476 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.202 NC1=CC=CC=C1CC(N)C(=O)O P40491 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.202 NC1=CC=CC=C1C[C@@H](N)C(=O)O P38558 [0,2,0,0,0,0|1,0,0]=3 451 B13R1.202 N[C@@H](CC1=CC=CC=C1I)C(=O)O P40681 [0,2,0,0,0,0|1,0,0]=3 452 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O P36335 [0,2,0,0,0,0|1,0,0]=3 453 B13R1.202 N[C@H](CC1=CC=CC=C1I)C(=O)O P36365 [0,2,0,0,0,0|1,0,0]=3 454 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O P39452 [0,2,0,0,0,0|1,0,0]=3 455 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1Cl P38429 [0,2,0,0,0,0|1,0,1]=4 456 B13R1.418 CNC(CC1=CC=CC=C1)C(=O)O P39307 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O P37373 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.418 NCC(CC1=CC=CC=C1)C(=O)O O28350 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.418 NCC(CC1=CC=CN=C1)C(=O)O Q58295 [0,2,0,0,0,0|2,0,0]=4 460 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O Q69028 [0,2,0,0,0,0|1,0,0]=3 461 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O Q69030 [0,2,0,0,0,0|1,0,0]=3 462 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O Q69024 [0,2,0,0,0,0|1,0,0]=3 463 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O Q69027 [0,2,0,0,0,0|1,0,0]=3 464 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O O28334 [0,2,0,0,0,0|1,0,0]=3 465 B13R1.1073 CC(C)(CC1=CC=CC=N1)C(=O)O Q60843 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.1073 CC(C)(CC1=CN=CC=C1)C(=O)O Q60820 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O O27989 [0,2,0,0,0,0|0,0,0]=2 468 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O P42590 [0,2,0,0,0,0|1,0,0]=3 469 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O P39504 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.147 CC(=O)CC(=O)C1=CC=CC(Br)=C1 P41012 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.147 CC(=O)CC(=O)C1=CC=CC(C)=C1 P37054 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.147 CC(=O)CC(=O)C1=CC=CC(Cl)=C1 P41819 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.147 CC(=O)CC(=O)C1=CC=CC(F)=C1 P36175 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.147 CC1=CC(C(N)CC(=O)O)=CC=C1 P36622 [0,2,0,0,0,0|1,0,0]=3 475 B13R1.147 CC1=CC([C@@H](N)CC(=O)O)=CC=C1 O28583 [0,2,0,0,0,0|1,0,0]=3 476 B13R1.147 CC1=CC([C@H](N)CC(=O)O)=CC=C1 O28895 [0,2,0,0,0,0|1,0,0]=3 477 B13R1.147 NC(CC(=O)O)C1=CC=CC(Br)=C1 P42459 [0,2,0,0,0,0|1,0,0]=3 478 B13R1.147 NC(CC(=O)O)C1=CC=CC(Cl)=C1 P36620 [0,2,0,0,0,0|1,0,0]=3 479 B13R1.147 NC(CC(=O)O)C1=CC=CC(O)=C1 P42950 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Br)=C1 M22611 [0,2,0,0,0,0|1,0,0]=3 481 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 O28581 [0,2,0,0,0,0|1,0,0]=3 482 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 O28608 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(O)=C1 O28449 [0,2,0,0,0,0|1,0,0]=3 484 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(Br)=C1 O28823 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(Cl)=C1 O28952 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(F)=C1 O28866 [0,2,0,0,0,0|1,0,0]=3 487 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(O)=C1 O28448 [0,2,0,0,0,0|1,0,0]=3 488 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1Br P37336 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1C O30227 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1Cl P37383 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1F P41717 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.201 CC1=CC=CC=C1C(N)CC(=O)O O28033 [0,2,0,0,0,0|1,0,0]=3 493 B13R1.201 CC1=CC=CC=C1[C@@H](N)CC(=O)O P36366 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.201 CC1=CC=CC=C1[C@H](N)CC(=O)O P36265 [0,2,0,0,0,0|1,0,0]=3 495 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br P42461 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1F P42460 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1O P37359 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Br O28570 [0,2,0,0,0,0|1,0,0]=3 499 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1Cl O28580 [0,2,0,0,0,0|1,0,0]=3 500 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1F O28639 [0,2,0,0,0,0|1,0,0]=3 501 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Br O28889 [0,2,0,0,0,0|1,0,0]=3 502 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Cl O28807 [0,2,0,0,0,0|1,0,0]=3 503 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1F P41028 [0,2,0,0,0,0|1,0,0]=3 504 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 O31714 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.347 O=C(O)CC(F)(F)C1=CC=NC=C1 Q62388 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.90 COC1=C(CCC(=O)O)C=CC=N1 Q60515 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.90 COC1=C(CCC(=O)O)N=CC=C1 Q60509 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.90 COC1=CC=CC=C1NCC(=O)O P34882 [0,2,0,0,0,0|1,0,0]=3 509 B13R1.90 N#CC1=CC=CC=C1CCC(=O)O P39099 [0,2,0,0,0,0|1,0,0]=3 510 B13R1.150 CC1=C(C)C(CCC(=O)O)=CC=C1 P39353 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.150 CC1=C(Cl)C=CC=C1CCC(=O)O P35526 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.150 O=C(O)CCC1=CC=CC(F)=C1F O28357 [0,2,0,0,0,0|1,0,0]=3 513 B13R1.150 O=C(O)CCC1=CC=CC(O)=C1O P38477 [0,2,0,0,0,0|1,0,0]=3 514 B13R1.150 O=C(O)COC1=CC=CC(Cl)=C1Cl P38990 [0,2,0,0,0,0|0,0,0]=2 515 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1Cl P39903 [0,2,0,0,0,0|1,0,1]=4 516 B13R1.893 O=C(O)CCC1=CC(F)=CC=C1F O27988 [0,2,0,0,0,0|1,0,0]=3 517 B13R1.893 O=C(O)COC1=CC(Cl)=CC=C1Cl P37246 [0,2,0,0,0,0|0,0,0]=2 518 B13R1.893 O=C(O)\C=C\C1=CC(Cl)=CC=C1Cl P39901 [0,2,0,0,0,0|1,0,1]=4 519 B13R1.3787 CC(=O)COC1=C(C)C=CC=C1C O31296 [0,2,0,0,0,0|1,0,0]=3 520 B13R1.3787 CC1=CC=CC(C)=C1NCC(=O)O O29683 [0,2,0,0,0,0|1,0,0]=3 521 B13R1.3787 O=C(O)CCC1=C(F)C=CC=C1F O28239 [0,2,0,0,0,0|1,0,0]=3 522 B13R1.3787 O=C(O)COC1=C(Cl)C=CC=C1Cl P37301 [0,2,0,0,0,0|0,0,0]=2 523 B13R1.3787 O=C(O)\C=C\C1=C(Cl)C=CC=C1Cl P39900 [0,2,0,0,0,0|1,0,1]=4 524 B13R1.643 CCC1=CC(OCC(=O)O)=CC=C1 M23306 [0,2,0,0,0,0|0,0,0]=2 525 B13R1.643 COC1=CC(NCC(=O)O)=CC=C1 P35748 [0,2,0,0,0,0|1,0,0]=3 526 B13R1.643 COC1=CC(OCC(=O)O)=CC=C1 P39854 [0,2,0,0,0,0|0,0,0]=2 527 B13R1.643 COC1=CC=CC(CCC(=O)O)=N1 Q60507 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.643 COC1=CN=CC(CCC(=O)O)=C1 Q60511 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.643 COC1=NC=CC(CCC(=O)O)=C1 Q60484 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.643 N#CC1=CC(CCC(=O)O)=CC=C1 P38139 [0,2,0,0,0,0|1,0,0]=3 531 B13R1.643 O=CC1=CC(OCC(=O)O)=CC=C1 P38444 [0,2,0,0,0,0|0,0,0]=2 532 B13R1.3420 CC1=CC(C)=CC(CCC(=O)O)=C1 P38140 [0,2,0,0,0,0|1,0,0]=3 533 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(Cl)=C1 P34850 [0,2,0,0,0,0|1,0,0]=3 534 B13R1.3420 O=C(O)COC1=CC(Cl)=CC(Cl)=C1 O28019 [0,2,0,0,0,0|0,0,0]=2 535 B13R1.3420 O=C(O)COC1=CC(F)=CC(F)=C1 M23359 [0,2,0,0,0,0|0,0,0]=2 536 B13R1.3420 O=C(O)\C=C\C1=CC(Cl)=CC(Cl)=C1 P39899 [0,2,0,0,0,0|1,0,1]=4 537 B11R1.266 C=CC1=CC(C(=O)O)=CC=C1 P39070 [0,0,1,1,0,0|1,0,1]=4 538 B11R2.1 BrC1=COC2=CC=CC=C12 O30635 [1,0,0,1,0,0|1,0,1]=4 539 B11R2.1 CC1=NOC2=CC=CC=C21 O30125 [1,0,0,1,0,0|2,0,0]=4 540 B11R2.1 O=C1CCC2=C1C=CN=C2 L22316 [1,0,0,1,0,0|2,0,0]=4 541 B11R2.1 O=C1CCC2=NC=CC=C12 G-6870 [1,0,0,1,0,0|2,0,0]=4 542 B11R2.1 O=C1NCC2=C1C=CC=C2 I-9101 [1,0,0,1,0,0|2,0,0]=4 543 B11R2.1 O=C1SNC2=CC=CC=C12 L18705 [1,0,0,1,0,0|2,0,0]=4 544 B11R2.1 OC1=CNC2=CC=CC=C12 Q52523 [1,0,0,1,0,0|1,0,1]=4 545 B11R2.20 C1=CC2=C(C=C1)OCCC2 P37892 [1,0,0,1,0,0|1,0,1]=4 546 B11R2.20 C1=CC=C2OCCNC2=C1 P37325 [1,0,0,1,0,0|1,0,1]=4 547 B11R2.10 O=C1CC2=C(C=NC=C2)N1 L14128 [0,0,0,1,1,0|2,0,0]=4 548 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476 [0,0,0,1,1,0|2,0,0]=4 549 B11R2.10 O=C1CC2=CC=CN=C2N1 C-2476-01 [0,0,0,1,1,0|2,0,0]=4 550 B11R2.10 O=C1CC2=CC=NC=C2N1 C-2345 [0,0,0,1,1,0|2,0,0]=4 551 B11R2.10 O=C1CC2=CN=CC=C2N1 C-3239 [0,0,0,1,1,0|2,0,0]=4 552 B11R2.10 O=C1CC2=NC=CC=C2N1 C-2343 [0,0,0,1,1,0|2,0,0]=4 553 B11R2.10 O=C1CN2C=CC=CC2=N1 O31095 [0,0,0,1,1,0|2,0,0]=4 554 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [0,0,0,1,0,1|2,0,0]=4 555 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 I-9905 [0,0,0,1,0,1|1,0,0]=3 556 B13R2.72 O=C(O)C1=C2C=CC=CC2=CN1 Q60936 [0,0,0,1,0,1|1,0,1]=4 557 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 O30560 [0,0,0,1,0,1|0,0,1]=3 558 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 C-2074 [0,0,0,1,0,1|1,0,1]=4 559 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 P41249 [0,0,0,1,0,1|1,0,0]=3 560 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 M22700 [0,0,0,1,0,1|1,0,0]=3 561 B13R2.72 O=C(O)C1NCC2=C1C=CC=C2 P51546 [0,0,0,1,0,1|1,0,0]=3 562 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 P51529 [0,0,0,1,0,1|1,0,0]=3 563 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 O34538 [0,0,0,1,0,1|1,0,0]=3 564 B13R2.163 O=C1CC2=CC=CC=C2CCN1 M22915 [0,0,0,1,0,1|2,0,0]=4 565 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 Q56881 [0,0,0,1,0,1|1,0,0]=3 566 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 L19790 [0,0,0,1,0,1|2,0,0]=4 567 B13R2.423 O=C(O)C1CC1C2=CC=NC=C2 Q69973 [0,0,0,1,0,1|2,0,0]=4 568 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 O34337 [0,0,0,1,0,1|2,0,0]=4 569 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 L22498 [0,0,0,1,0,1|1,0,0]=3 570 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 O33398 [0,0,0,1,0,1|1,0,0]=3 571 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CN=C2 H-8208 [0,0,0,1,0,1|2,0,0]=4 572 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O33360 [0,0,0,1,0,1|1,0,0]=3 573 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 O34527 [0,0,0,1,0,1|1,0,0]=3 574 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 O32985 [0,0,0,1,0,1|1,0,0]=3 575 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 O33621 [0,0,0,1,0,1|1,0,0]=3 576 B13R2.147 CC1=CC=C(C2CC(=O)N2)C=C1 P39794 [0,1,0,1,0,0|2,0,0]=4 577 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 P39325 [0,1,0,1,0,0|2,0,0]=4 578 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)N1 L20848 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)N1 P39793 [0,1,0,1,0,0|2,0,0]=4 580 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)N1 P35036 [0,1,0,1,0,0|2,0,0]=4 581 B13R2.155 NC1=CC=C2OCC(=O)NC2=C1 P35289 [0,1,0,1,0,0|1,0,0]=3 582 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 M15801 [0,1,0,1,0,0|2,0,0]=4 583 B13R2.155 O=C1COC2=C(C=C(Br)N=C2)N1 S72754 [0,1,0,1,0,0|2,0,0]=4 584 B13R2.155 O=C1COC2=CC=C(Br)N=C2N1 M15618 [0,1,0,1,0,0|2,0,0]=4 585 B13R2.33 O=C1CCC2=CC=CC=C2CC1 Q70223 [0,1,0,1,0,0|2,0,0]=4 586 B13R2.57 NCC1COC2=CC=CC=C2O1 10060 [0,1,0,1,0,0|1,0,1]=4 587 B13R2.57 NC[C@H]1COC2=CC=CC=C2O1 10041 [0,1,0,1,0,0|1,0,1]=4 588 B13R2.57 O=CC1COC2=C(C=CC=C2)C1 O29337 [0,1,0,1,0,0|1,0,1]=4 589 B13R2.57 OC[C@H]1COC2=CC=CC=C2O1 10062 [0,1,0,1,0,0|0,0,2]=4 590 B13R2.369 CC1NC2=CC=CC=C2NC1=O C-2873 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O O31934 [0,1,0,1,0,0|1,0,1]=4 592 B13R2.435 NC(=O)C1=CC2=CC=CC=C2O1 P37809 [0,1,0,1,0,0|1,0,1]=4 593 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 L19588 [0,1,0,1,0,0|1,0,1]=4 594 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 Q60621 [0,1,0,1,0,0|1,0,1]=4 595 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 H-8587 [0,1,0,1,0,0|1,0,1]=4 596 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)O1 Q60865 [0,1,0,1,0,0|1,0,1]=4 597 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 M15185 [0,1,0,1,0,0|1,0,1]=4 598 B13R2.435 O=C(O)C1CC2=C(N=CC=C2)N1 Q52870 [0,1,0,1,0,0|2,0,0]=4 599 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 H-8757 [0,1,0,1,0,0|0,0,0]=2 600 B13R2.435 O=C(O)C1CC2=CC=CN=C2C1 L18992 [0,1,0,1,0,0|2,0,0]=4 601 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 Q62630 [0,1,0,1,0,0|1,0,0]=3 602 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 P34766 [0,1,0,1,0,0|1,0,0]=3 603 B13R2.216 CC1=CC=CC=C1C2CC(=O)N2 P35881 [0,1,0,1,0,0|2,0,0]=4 604 B13R2.216 O=C1CC(C2=CC=CC=C2Cl)N1 P35883 [0,1,0,1,0,0|2,0,0]=4 605 B13R2.216 O=C1CC(C2=CC=CC=C2F)N1 P35879 [0,1,0,1,0,0|2,0,0]=4 606 B13R2.5179 NC1=C2OCC(=O)NC2=CC=C1 O30405 [0,1,0,1,0,0|1,0,0]=3 607 B13R2.5179 O=C1CCC2=C(C=CC=C2Br)N1 O30080 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 O30284 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)N1 P35152 [0,1,0,1,0,0|2,0,0]=4 610 B13R2.151 O=C1CC(C2=CC=CC(Cl)=C2)N1 P35037 [0,1,0,1,0,0|2,0,0]=4 611 B13R2.162 CC1=CC=CC2=C1NC(=O)CC2 M22763 [0,1,0,1,0,0|2,0,0]=4 612 B13R2.162 O=C1CCC2=C(C1)C(O)=CC=C2 M15815 [0,1,0,1,0,0|2,0,0]=4 613 B13R2.162 O=C1COC2=CC=CC(Cl)=C2N1 K12403 [0,1,0,1,0,0|1,0,0]=3 614 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 P39589 [0,1,0,1,0,0|2,0,0]=4 615 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 P39254 [0,1,0,1,0,0|1,0,0]=3 616 B13R2.3683 O=C1COC2=CC(Br)=CC=C2N1 O34505 [0,1,0,1,0,0|1,0,0]=3 617 B13R2.3683 O=C1COC2=CC(Br)=CN=C2N1 H-8933 [0,1,0,1,0,0|2,0,0]=4 618 B9R1.6 CC(=O)C1=CC=CN=C1 P44672 [0,0,0,0,2,0|2,0,0]=4 619 B9R1.6 O=C(O)C1=CC=CN=N1 C-2266 [0,0,0,0,2,0|2,0,0]=4 620 B9R1.6 O=C(O)C1=CC=NC=N1 C-2226 [0,0,0,0,2,0|2,0,0]=4 621 B9R1.6 O=C(O)C1=CC=NN=C1 C-3207 [0,0,0,0,2,0|2,0,0]=4 622 B9R1.6 O=C(O)C1=CN=CC=N1 C-3429 [0,0,0,0,2,0|2,0,0]=4 623 B9R1.6 O=C(O)C1=CN=CN=C1 C-3274 [0,0,0,0,2,0|2,0,0]=4 624 B9R1.6 O=C(O)C1=NC=CC=N1 C-3378 [0,0,0,0,2,0|2,0,0]=4 625 B9R1.13 O=C(O)CC1=CC=CS1 I-9532 [0,0,0,0,2,0|1,0,0]=3 626 B9R1.13 O=C(O)CC1=CC=NN1 O29915 [0,0,0,0,2,0|2,0,0]=4 627 B9R1.13 O=C(O)CC1=CNC=N1 H-8782 [0,0,0,0,2,0|2,0,0]=4 628 B9R1.13 O=C(O)CC1=CNN=C1 Q60477 [0,0,0,0,2,0|2,0,0]=4 629 B9R1.13 O=C(O)CC1=CSC=N1 O30547 [0,0,0,0,2,0|2,0,0]=4 630 B9R1.13 O=C(O)CC1=NNC=C1 P51092 [0,0,0,0,2,0|2,0,0]=4 631 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 O31532 [0,0,0,0,0,2|1,0,0]=3 632 B13R1.337 O=C(O)CCNCC1=CC=CC=N1 Q58203 [0,0,0,0,0,2|2,0,0]=4 633 B13R1.337 O=C(O)CCNCC1=CC=CC=N1 Q58204 [0,0,0,0,0,2|2,0,0]=4 634 B13R1.337 O=C(O)CCNCC1=CC=NC=C1 Q58205 [0,0,0,0,0,2|2,0,0]=4 635 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 P39101 [0,0,0,0,0,2|0,0,0]=2