0 B12R1.252 CC(=O)COCC1=CC=CC=C1 AC-33619 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(=O)NCCC1=NC=CC=C1 AC-90299 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.252 CN(C)CCOC1=CC=CC=C1 AC-79849 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AC-38854 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.252 O=C(O)CCNC1=CC=CC=C1 AC-42393 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AC-17267 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.252 O=C(O)CNCC1=NC=CC=C1 AC-94260 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.252 O=C(O)COCC1=CC=CC=C1 AC-51588 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.252 OB(O)CCCC1=CC=CC=C1 AC-95611 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.28 BrCCCOC1=CC=CC=C1 AC-34539 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 BrCCOCC1=CC=CC=C1 AC-73705 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 NCCNCC1=CC=CC=C1 AC-22878 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 NCCOCC1=CC=CC=C1 AC-76963 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 O=CCOCC1=CC=CC=C1 AC-81292 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.28 OCCCCC1=CC=NC=C1 AC-41310 [1,0,0,0,0,0|1,0,1]=3 15 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 AC-90975 [0,1,0,0,0,0|1,0,1]=3 16 B13R1.45 CN(C)CCC(Cl)C1=CC=CC=C1 AC-84683 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 AC-81636 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 AC-87984 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 AC-22857 [0,1,0,0,0,0|0,0,1]=2 20 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 AC-81902 [0,1,0,0,0,0|1,0,1]=3 21 B13R1.149 NC1=CC(CCCC(=O)O)=CC=C1 AC-86697 [0,1,0,0,0,0|0,0,0]=1 22 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 AC-33531 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.149 O=C(O)CCOC1=CC=CC(Cl)=C1 AC-35165 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 AC-38440 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.158 CC1=CC=CC=C1CCCC(=O)O AC-82439 [0,1,0,0,0,0|0,0,0]=1 26 B13R1.158 NC1=CC=CC=C1OCCC(=O)O AC-32414 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.158 NC1=CC=CC=C1OCCC(=O)O AC-90420 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.158 O=C(O)CCCC1=CC=CC=C1O AC-91141 [0,1,0,0,0,0|0,0,0]=1 29 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 AC-15170 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 AC-15171 [0,1,0,0,0,0|0,0,0]=1 31 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 AC-56539 [0,1,0,0,0,0|0,0,1]=2 32 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 AC-65432 [0,1,0,0,0,0|0,0,0]=1 33 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 AC-65431 [0,1,0,0,0,0|0,0,0]=1 34 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 AC-72140 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.513 CC1=CC=C(CCCC(=O)O)C=C1 AC-71448 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 AC-81015 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.718 COC(=O)COCC1=CC=CC=C1 AC-83236 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.718 COC(=O)\C=C\NC1=CC=CC=C1 AC-82158 [0,1,0,0,0,0|1,0,2]=4 39 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 AC-79565 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.718 OCC(O)COCC1=CC=CC=C1 AC-79740 [0,1,0,0,0,0|1,0,2]=4 41 B13R1.3523 O=S(=O)(Cl)CCCC1=CC=CC=C1 AC-59463 [0,1,0,0,0,0|1,0,1]=3 42 B13R1.3523 O=S(=O)([O-])CCC[N+]1=CC=CC=C1 AC-63755 [0,1,0,0,0,0|2,0,1]=4 43 B13R2.10 CC1COC(C2=CC=CC=C2)O1 AC-91745 [0,0,0,1,0,0|2,0,1]=4 44 B13R2.10 O=C1CNC(C2=CC=CC=C2)C1 AC-86215 [0,0,0,1,0,0|2,0,0]=3 45 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 AC-11526 [0,0,0,1,0,0|2,0,0]=3 46 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 AC-26533 [0,0,0,1,0,0|2,0,0]=3 47 B13R2.72 CC(=O)N1CCC2=C1C=CC=C2 AC-13477 [0,0,0,1,0,0|2,0,0]=3 48 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 AC-92688 [0,0,0,1,0,0|1,0,0]=2 49 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 AC-93239 [0,0,0,1,0,0|2,0,1]=4 50 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 AC-10158 [0,0,0,1,0,0|1,0,2]=4 51 B13R2.72 O=C(O)C1=NOC2=CC=CC=C21 AC-60275 [0,0,0,1,0,0|2,0,1]=4 52 B13R2.72 O=C(O)C1=NSC2=CC=CC=C21 AC-90931 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 AC-61836 [0,0,0,1,0,0|0,0,0]=1 54 B13R2.72 O=C(O)C1CCC2=CC=CN=C21 AC-88151 [0,0,0,1,0,0|1,0,0]=2 55 B13R2.163 O=C1CCCC2=CC=CC=C2N1 AC-19159 [0,0,0,1,0,0|1,0,0]=2 56 B13R2.163 O=C1CCNC2=CC=CC=C2N1 AC-57392 [0,0,0,1,0,0|2,0,0]=3 57 B13R2.163 O=C1CCNC2=NC=CC=C2N1 AC-83979 [0,0,0,1,0,0|3,0,0]=4 58 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 AC-71462 [0,0,0,1,0,0|1,0,0]=2 59 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 AC-75586 [0,0,0,1,0,0|2,0,1]=4 60 B11R1.91 CC(=O)OCC1=CC=NC=C1 AC-24117 [0,0,0,0,1,0|3,0,0]=4 61 B11R1.91 NC(=O)NCC1=CC=CC=C1 AC-85594 [0,0,0,0,1,0|2,0,0]=3 62 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 AC-37551 [0,0,0,0,1,0|1,0,2]=4 63 B11R1.91 O=C(O)C#CC1=CC=CC=C1 AC-12737 [0,0,0,0,1,0|0,0,2]=3 64 B11R1.91 O=C(O)C#CC1=NC=CC=C1 AC-93902 [0,0,0,0,1,0|1,0,2]=4 65 B11R1.91 O=C(O)CCC1=CC=CN=C1 AC-24033 [0,0,0,0,1,0|1,0,0]=2 66 B11R1.91 O=C(O)CCC1=CC=NC=C1 AC-44325 [0,0,0,0,1,0|1,0,0]=2 67 B11R1.91 O=C(O)COC1=CC=CC=C1 AC-64140 [0,0,0,0,1,0|1,0,0]=2 68 B11R1.91 O=C(O)COC1=NC=CC=C1 AC-63733 [0,0,0,0,1,0|2,0,0]=3 69 B11R1.91 O=C(O)CSC1=CC=NC=C1 AC-61576 [0,0,0,0,1,0|2,0,0]=3 70 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 AC-75552 [0,0,0,0,1,0|1,0,2]=4 71 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 AC-85071 [0,0,0,0,1,0|0,0,3]=4 72 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 AC-15127 [0,0,0,0,1,0|0,0,3]=4 73 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 AC-80706 [0,0,0,0,1,0|1,0,1]=3 74 B11R1.91 OB(O)CCC1=CC=CC=C1 AC-20976 [0,0,0,0,1,0|1,0,1]=3 75 B13R1.337 CC(=O)OCCOC1=CC=CC=C1 AC-86736 [0,0,0,0,0,1|2,0,0]=3 76 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 AC-76778 [0,0,0,0,0,1|1,0,2]=4 77 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 AC-64133 [0,0,0,0,0,1|2,0,0]=3 78 B10R1.17 BrCCOC1=CC=CC=C1 AC-23943 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.17 CCCCC1=CC=NC=C1 AC-79321 [2,0,0,0,0,0|1,0,1]=4 80 B10R1.17 CCNCC1=CC=CC=C1 AC-23535 [2,0,0,0,0,0|1,0,1]=4 81 B10R1.17 ClCSCC1=CC=CC=C1 AC-94728 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.17 NCCCC1=CC=NC=C1 AC-58135 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.17 NCCCC1=NC=CC=C1 AC-81362 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.17 NCCNC1=CC=CC=C1 AC-23964 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.17 O=CC#CC1=CC=CC=C1 AC-61166 [2,0,0,0,0,0|0,0,2]=4 86 B10R1.17 OCCCC1=CC=CC=C1 AC-90879 [2,0,0,0,0,0|0,0,0]=2 87 B10R1.17 OCCCC1=CC=CN=C1 AC-63756 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.17 OCCCC1=NC=CC=C1 AC-72227 [2,0,0,0,0,0|1,0,0]=3 89 B10R1.17 OC\C=C\C1=CC=CC=C1 AC-96518 [2,0,0,0,0,0|0,0,2]=4 90 B12R1.1 OCCCCC1=CC=C(Br)C=C1 AC-81536 [1,1,0,0,0,0|0,0,1]=3 91 B12R1.1 OCCCOC1=CC=C(F)C=C1 AC-82676 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.1 OCCNCC1=CC=C(F)C=C1 AC-94725 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.8 BrCCCCCC1=CC=CC=C1 AC-16353 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.8 NCCCNCC1=CC=CC=C1 AC-52358 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.8 NCCCOCC1=CC=CC=C1 AC-58975 [1,1,0,0,0,0|1,0,1]=4 96 B12R1.8 O=CCCCOC1=CC=CC=C1 AC-90359 [1,1,0,0,0,0|0,0,0]=2 97 B12R1.8 O=COC\C=C\C1=CC=CC=C1 AC-83683 [1,1,0,0,0,0|0,0,2]=4 98 B12R1.8 OCCCNCC1=CC=CC=C1 AC-12719 [1,1,0,0,0,0|0,0,1]=3 99 B12R1.8 OCCCOCC1=CC=CC=C1 AC-24730 [1,1,0,0,0,0|0,0,1]=3 100 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 AC-75587 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.27 OCC(O)COC1=CC=CC=C1 AC-23947 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.28 CCCCCC1=CC(F)=CC=C1 AC-84400 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.30 CNCC[C@@H](O)C1=CC=CC=C1 AC-75382 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.32 CN(CCO)CC1=CC=CC=C1 AC-80118 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.267 OCCNCC1=CC=CC=C1F AC-95604 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 AC-89210 [0,1,0,0,1,0|1,0,0]=3 107 B12R1.21 CC(=O)CCC1=CC=C(N)C=C1 AC-87381 [0,1,0,0,1,0|1,0,0]=3 108 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 AC-62175 [0,1,0,0,1,0|1,0,0]=3 109 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 AC-79315 [0,1,0,0,1,0|1,0,0]=3 110 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AC-18562 [0,1,0,0,1,0|0,0,0]=2 111 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AC-14340 [0,1,0,0,1,0|0,0,0]=2 112 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 AC-11965 [0,1,0,0,1,0|0,0,0]=2 113 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AC-29981 [0,1,0,0,1,0|0,0,0]=2 114 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AC-14246 [0,1,0,0,1,0|0,0,0]=2 115 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 AC-16794 [0,1,0,0,1,0|1,0,0]=3 116 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 AC-26506 [0,1,0,0,1,0|1,0,0]=3 117 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 AC-26507 [0,1,0,0,1,0|1,0,0]=3 118 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 AC-11805 [0,1,0,0,1,0|1,0,0]=3 119 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 AC-65427 [0,1,0,0,1,0|1,0,0]=3 120 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 AC-65428 [0,1,0,0,1,0|1,0,0]=3 121 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AC-26444 [0,1,0,0,1,0|1,0,0]=3 122 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 AC-14338 [0,1,0,0,1,0|0,0,2]=4 123 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 AC-76803 [0,1,0,0,1,0|0,0,2]=4 124 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC-13909 [0,1,0,0,1,0|0,0,2]=4 125 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O AC-14523 [0,1,0,0,1,0|0,0,1]=3 126 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O AC-64126 [0,1,0,0,1,0|1,0,0]=3 127 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O AC-23950 [0,1,0,0,1,0|0,0,0]=2 128 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O AC-89007 [0,1,0,0,1,0|0,0,0]=2 129 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O AC-90689 [0,1,0,0,1,0|1,0,0]=3 130 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O AC-94314 [0,1,0,0,1,0|1,0,0]=3 131 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O AC-94234 [0,1,0,0,1,0|1,0,0]=3 132 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O AC-77394 [0,1,0,0,1,0|1,0,0]=3 133 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O AC-75590 [0,1,0,0,1,0|1,0,0]=3 134 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O AC-10595 [0,1,0,0,1,0|0,0,0]=2 135 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 AC-93737 [0,1,0,0,1,0|0,0,0]=2 136 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 AC-67256 [0,1,0,0,1,0|0,0,0]=2 137 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC-12701 [0,1,0,0,1,0|0,0,0]=2 138 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 AC-12702 [0,1,0,0,1,0|0,0,0]=2 139 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 AC-22851 [0,1,0,0,1,0|1,0,1]=4 140 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 AC-54968 [0,1,0,0,1,0|1,0,0]=3 141 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 AC-32477 [0,1,0,0,1,0|1,0,0]=3 142 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 AC-82940 [0,1,0,0,1,0|1,0,0]=3 143 B12R1.125 CC(=O)CCC1=CC=CC=C1N AC-88817 [0,1,0,0,1,0|1,0,0]=3 144 B12R1.125 CC1=CC=CC=C1CCC(=O)O AC-20107 [0,1,0,0,1,0|0,0,0]=2 145 B12R1.125 O=C(O)C#CC1=CC=CC=C1F AC-87408 [0,1,0,0,1,0|0,0,2]=4 146 B12R1.125 O=C(O)CCC1=CC=CC=C1I AC-91029 [0,1,0,0,1,0|0,0,0]=2 147 B12R1.125 O=C(O)CCN1C=CC=CC1=O AC-57410 [0,1,0,0,1,0|1,0,0]=3 148 B12R1.125 O=C(O)CNC1=C(Cl)C=CN=C1 AC-85048 [0,1,0,0,1,0|2,0,0]=4 149 B12R1.125 O=C(O)CNC1=CC=CC=C1F AC-76022 [0,1,0,0,1,0|1,0,0]=3 150 B12R1.125 O=C(O)COC1=CC=CC=C1F AC-38430 [0,1,0,0,1,0|1,0,0]=3 151 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br AC-89273 [0,1,0,0,1,0|0,0,2]=4 152 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl AC-19585 [0,1,0,0,1,0|0,0,2]=4 153 B12R1.226 CC(=O)CCC1=CC=CC(Br)=C1 AC-42792 [0,1,0,0,1,0|1,0,0]=3 154 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 AC-20108 [0,1,0,0,1,0|0,0,0]=2 155 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 AC-38605 [0,1,0,0,1,0|0,0,2]=4 156 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AC-18563 [0,1,0,0,1,0|0,0,0]=2 157 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 AC-26679 [0,1,0,0,1,0|0,0,0]=2 158 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AC-11964 [0,1,0,0,1,0|0,0,0]=2 159 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 AC-34555 [0,1,0,0,1,0|0,0,2]=4 160 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AC-14279 [0,1,0,0,1,0|0,0,2]=4 161 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AC-11968 [0,1,0,0,1,0|0,0,2]=4 162 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 AC-89406 [0,1,0,0,1,0|0,0,2]=4 163 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 AC-13911 [0,1,0,0,1,0|0,0,2]=4 164 B14R1.148 O=C(O)CCCCC1=CC=CC(Br)=C1 AC-95373 [0,1,0,0,0,1|0,0,0]=2 165 B14R1.420 C\C(=N\OCC(=O)O)C1=CC=CC=C1 AC-75598 [0,1,0,0,0,1|1,0,1]=4 166 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 AC-54423 [0,1,0,0,0,1|0,0,1]=3 167 B14R1.423 CC(=O)CCN(C)CC1=CC=CC=C1 AC-92702 [0,1,0,0,0,1|1,0,0]=3 168 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 AC-57754 [0,1,0,0,0,1|0,0,1]=3 169 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 AC-41642 [0,1,0,0,0,1|0,0,0]=2 170 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 AC-85260 [0,1,0,0,0,1|0,0,0]=2 171 B14R1.716 COC(=O)CCCOC1=CC=CC=C1 AC-90360 [0,1,0,0,0,1|0,0,0]=2 172 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O AC-60050 [0,1,0,0,0,1|0,0,0]=2 173 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O AC-87863 [0,1,0,0,0,1|0,0,0]=2 174 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O AC-77162 [0,1,0,0,0,1|0,0,0]=2 175 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O AC-58448 [0,1,0,0,0,1|0,0,0]=2 176 B14R1.6449 O=C(O)C(O)COCC1=CC=CC=C1 AC-76487 [0,1,0,0,0,1|0,0,0]=2 177 B14R1.149 O=C(O)CCC(=O)C1=CC=CC(Cl)=C1 AC-96328 [0,2,0,0,0,0|0,0,1]=3 178 B14R1.160 O=C(O)CCC(=O)C1=CC=CC=C1Cl AC-96327 [0,2,0,0,0,0|0,0,1]=3 179 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl AC-93538 [0,2,0,0,0,0|1,0,1]=4 180 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O AC-55909 [0,2,0,0,0,0|1,0,1]=4 181 B14R1.415 N[C@@H](CC(=O)C1=CC=CC=C1)C(=O)O AC-77220 [0,2,0,0,0,0|0,0,1]=3 182 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 AC-32478 [0,2,0,0,0,0|1,0,1]=4 183 B14R1.678 CC(=O)CCC(=O)C1=CC=C(Cl)C=C1 AC-85396 [0,2,0,0,0,0|1,0,1]=4 184 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 AC-20241 [0,2,0,0,0,0|1,0,1]=4 185 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 AC-31457 [0,2,0,0,0,0|0,0,1]=3 186 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 AC-72914 [0,2,0,0,0,0|1,0,1]=4 187 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 AC-87915 [0,2,0,0,0,0|2,0,0]=4 188 B14R1.76 N#CC1=CC(OCCC(=O)O)=CC=C1 AC-35162 [0,2,0,0,0,0|1,0,0]=3 189 B14R1.1025 COC(=O)CCSC1=NC=CC(Cl)=C1 AC-95832 [0,2,0,0,0,0|2,0,0]=4 190 B14R1.1025 COC(=O)NCCC1=CC=CC(O)=C1 AC-77211 [0,2,0,0,0,0|1,0,0]=3 191 B14R1.96 N#CC1=CC=CC=C1OCCC(=O)O AC-35161 [0,2,0,0,0,0|1,0,0]=3 192 B14R1.837 COC(=O)CCNC1=NC=CC=C1Cl AC-82342 [0,2,0,0,0,0|2,0,0]=4 193 B14R1.4194 O=C(O)C(CO)NCC1=CC=CC=C1 AC-38081 [0,2,0,0,0,0|1,0,0]=3 194 B14R1.6395 CC(C)(OCC1=CC=CC=C1)C(=O)O AC-76079 [0,2,0,0,0,0|1,0,0]=3 195 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 AC-84475 [0,2,0,0,0,0|0,0,0]=2 196 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 AC-10430 [0,2,0,0,0,0|0,0,0]=2 197 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 AC-91023 [0,2,0,0,0,0|1,0,0]=3 198 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 AC-30169 [0,2,0,0,0,0|1,0,0]=3 199 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 AC-38541 [0,2,0,0,0,0|1,0,0]=3 200 B14R1.4 N#CC1=CC=C(OCCC(=O)O)C=C1 AC-35163 [0,2,0,0,0,0|1,0,0]=3 201 B14R1.4 O=C(O)CCOC1=CC=C(CO)C=C1 AC-82953 [0,2,0,0,0,0|1,0,0]=3 202 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 AC-64865 [0,2,0,0,0,0|0,0,0]=2 203 B14R1.13 COC(=O)CCNC1=NC=C(Br)C=C1 AC-86058 [0,2,0,0,0,0|2,0,0]=4 204 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 AC-29228 [0,2,0,0,0,0|0,0,0]=2 205 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 AC-22881 [0,2,0,0,0,0|1,0,0]=3 206 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 AC-83717 [0,2,0,0,0,0|1,0,0]=3 207 B12R2.1 BrCC1CCC2=C1C=CC=C2 AC-94008 [1,0,0,1,0,0|1,0,1]=4 208 B12R2.1 N#CC1CCC2=C1C=CC=C2 AC-80113 [1,0,0,1,0,0|1,0,1]=4 209 B12R2.1 NCC1CCC2=C1C=CC=C2 AC-86444 [1,0,0,1,0,0|1,0,1]=4 210 B12R2.1 OCC1CCC2=C1C=CC=C2 AC-87580 [1,0,0,1,0,0|0,0,1]=3 211 B12R2.2 C1=CC=C(C2CCCN2)C=C1 AC-62045 [1,0,0,1,0,0|1,0,1]=4 212 B12R2.2 C1=CC=C(C2CCNC2)C=C1 AC-57402 [1,0,0,1,0,0|2,0,0]=4 213 B12R2.2 C1=CC=C(C2CCNC2)C=C1 AC-91187 [1,0,0,1,0,0|2,0,0]=4 214 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 AC-83118 [1,0,0,1,0,0|2,0,0]=4 215 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 AC-71372 [1,0,0,1,0,0|2,0,0]=4 216 B12R2.27 C#CC1CC1C2=CC=CC=C2 AC-93837 [1,0,0,1,0,0|1,0,1]=4 217 B12R2.41 C1=CC=C2NCCCCC2=C1 AC-34703 [1,0,0,1,0,0|1,0,1]=4 218 B12R2.1081 CC1=NCCC2=C1C=CC=C2 AC-79916 [1,0,0,1,0,0|2,0,0]=4 219 B12R2.1081 NC1CCCC2=C1C=CC=C2 AC-88620 [1,0,0,1,0,0|1,0,1]=4 220 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC-31405 [1,0,0,1,0,0|0,0,0]=2 221 B12R2.1081 O=C1CCCC2=C1C=CC=N2 AC-63020 [1,0,0,1,0,0|1,0,0]=3 222 B12R2.1081 O=C1CCCC2=C1C=CN=C2 AC-80182 [1,0,0,1,0,0|1,0,0]=3 223 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AC-28103 [1,0,0,1,0,0|1,0,0]=3 224 B12R2.1081 O=C1CCCC2=C1C=NC=C2 AC-82840 [1,0,0,1,0,0|1,0,0]=3 225 B12R2.1081 O=C1CCCC2=C1N=CC=C2 AC-28150 [1,0,0,1,0,0|1,0,0]=3 226 B12R2.1081 O=C1CCOC2=C1C=CC=C2 AC-11244 [1,0,0,1,0,0|1,0,0]=3 227 B12R2.1081 O=C1CNCC2=C1C=CC=C2 AC-84554 [1,0,0,1,0,0|1,0,0]=3 228 B12R2.1081 O=C1NCCC2=C1C=CC=C2 AC-28099 [1,0,0,1,0,0|1,0,0]=3 229 B12R2.1081 O=C1NCCC2=C1C=CC=N2 AC-83855 [1,0,0,1,0,0|2,0,0]=4 230 B12R2.1081 O=C1NCCC2=C1N=CC=C2 AC-94411 [1,0,0,1,0,0|2,0,0]=4 231 B12R2.1081 OC1CCCC2=C1C=CC=C2 AC-21976 [1,0,0,1,0,0|0,0,1]=3 232 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 AC-86625 [0,0,0,1,1,0|1,0,0]=3 233 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 AC-89608 [0,0,0,1,1,0|0,0,2]=4 234 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 AC-10639 [0,0,0,1,1,0|2,0,0]=4 235 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 AC-21974 [0,0,0,1,1,0|1,0,0]=3 236 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 AC-45915 [0,0,0,1,1,0|1,0,0]=3 237 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 AC-28072 [0,0,0,1,1,0|0,0,0]=2 238 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 AC-28118 [0,0,0,1,1,0|2,0,0]=4 239 B12R2.24 O=C1CCN2C=CC=CC2=N1 AC-83000 [0,0,0,1,1,0|2,0,0]=4 240 B12R2.24 O=C1COC2=CC=CC=C2N1 AC-22850 [0,0,0,1,1,0|2,0,0]=4 241 B12R2.24 O=C1CSC2=CC=CC=C2N1 AC-16563 [0,0,0,1,1,0|2,0,0]=4 242 B12R2.24 OC1=CC2=CC=CC=C2OC1 AC-85783 [0,0,0,1,1,0|2,0,0]=4 243 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 AC-10920 [0,0,0,1,0,1|0,0,2]=4 244 B14R2.2 O=C(O)CC1=COC2=CC=CC=C12 AC-34303 [0,0,0,1,0,1|0,0,2]=4 245 B14R2.2 O=C(O)CC1=CSC2=CC=CC=C12 AC-83669 [0,0,0,1,0,1|0,0,2]=4 246 B14R2.2 O=C(O)CC1=NNC2=C1C=CC=C2 AC-87347 [0,0,0,1,0,1|1,0,1]=4 247 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 AC-11500 [0,0,0,1,0,1|1,0,0]=3 248 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 AC-11499 [0,0,0,1,0,1|1,0,0]=3 249 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 AC-11531 [0,0,0,1,0,1|1,1,0]=4 250 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 AC-80738 [0,0,0,1,0,1|1,0,0]=3 251 B14R2.21 O=C1CCCC(C2=CC=CC=C2)C1 AC-84803 [0,0,0,1,0,1|1,0,0]=3 252 B14R2.21 O=C1CCCC(C2=CC=CN=C2)C1 AC-76514 [0,0,0,1,0,1|2,0,0]=4 253 B14R2.21 O=C1CCCC(C2=CC=NC=C2)C1 AC-76517 [0,0,0,1,0,1|2,0,0]=4 254 B14R2.21 O=C1CCCN(C2=CC=CC=C2)C1 AC-63991 [0,0,0,1,0,1|1,0,0]=3 255 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 AC-40757 [0,0,0,1,0,1|1,0,0]=3 256 B14R2.21 OC1CCCN(C2=CC=CC=C2)C1 AC-63992 [0,0,0,1,0,1|1,0,1]=4 257 B14R2.21 OC1CCCN(C2=CC=CC=C2)C1 AC-94137 [0,0,0,1,0,1|1,0,1]=4 258 B14R2.21 OC1CCOC(C2=CC=CC=C2)C1 AC-93926 [0,0,0,1,0,1|1,0,1]=4 259 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 AC-44807 [0,0,0,1,0,1|1,0,0]=3 260 B14R2.436 OC1CC(OCC2=CC=CC=C2)C1 AC-73585 [0,0,0,1,0,1|1,0,1]=4 261 B14R2.31359 CC(=O)N1CCNC2=C1C=CC=C2 AC-96564 [0,0,0,1,0,1|2,0,0]=4 262 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 AC-15241 [0,0,0,1,0,1|0,0,0]=2 263 B14R2.68 O=C1CCN(C2=CC=CC=C2)CC1 AC-85360 [0,1,0,1,0,0|2,0,0]=4 264 B14R2.287 O=C1CCC(=O)C2=CC=CC=C2N1 AC-85877 [0,1,0,1,0,0|1,0,1]=4 265 B14R2.25733 O=C1CC(C(=O)O)C2=C1C=CC=C2 AC-64231 [0,1,0,1,0,0|0,0,1]=3 266 B14R2.22 NC1=CC(C2CNC(=O)C2)=CC=C1 AC-45641 [0,1,0,1,0,0|2,0,0]=4 267 B14R2.22 O=C1CC(C2=CC=CC(Br)=C2)CN1 AC-45653 [0,1,0,1,0,0|2,0,0]=4 268 B14R2.22 O=C1CCC(C2=CC=CC(Br)=C2)N1 AC-92435 [0,1,0,1,0,0|1,0,0]=3 269 B14R2.300 CC(=O)N1CCC2=C1C=CC(N)=C2 AC-15909 [0,1,0,1,0,0|2,0,0]=4 270 B14R2.390 O=C1CCCC2=CC=CC(Cl)=C2N1 AC-85902 [0,1,0,1,0,0|1,0,0]=3 271 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Br)=C2 AC-83478 [0,1,0,1,0,0|0,0,0]=2 272 B14R2.8053 CC(=O)N1CCC2=C1C(Br)=CC=C2 AC-90256 [0,1,0,1,0,0|2,0,0]=4 273 B14R2.8053 CC(=O)N1CCC2=C1C(N)=CC=C2 AC-24134 [0,1,0,1,0,0|2,0,0]=4 274 B14R2.256 O=C1CCC(C2=CC=CC=C2Br)N1 AC-82708 [0,1,0,1,0,0|1,0,0]=3 275 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 AC-29849 [0,1,0,1,0,0|0,0,2]=4 276 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2S1 AC-93877 [0,1,0,1,0,0|0,0,2]=4 277 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2S1 AC-76077 [0,1,0,1,0,0|1,0,1]=4 278 B14R2.768 O=C(O)CN1C=C2C=CC=CC2=N1 AC-46409 [0,1,0,1,0,0|1,0,1]=4 279 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 AC-57545 [0,1,0,1,0,0|1,0,1]=4 280 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 AC-14847 [0,1,0,1,0,0|1,0,0]=3 281 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)C1 AC-94428 [0,1,0,1,0,0|0,0,0]=2 282 B14R2.781 O=C(O)C1CCC2=C(C=CC=C2)O1 AC-35437 [0,1,0,1,0,0|0,0,0]=2 283 B14R2.781 O=C(O)C1CNC2=C(C=CC=C2)C1 AC-75793 [0,1,0,1,0,0|1,0,0]=3 284 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)C1 AC-92404 [0,1,0,1,0,0|1,0,0]=3 285 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 AC-76857 [0,1,0,1,0,0|1,0,0]=3 286 B14R2.781 O=C(O)[C@@H]1COC2=CC=CC=C2O1 AC-80656 [0,1,0,1,0,0|1,0,0]=3 287 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2F AC-73763 [0,1,0,1,0,0|0,0,0]=2 288 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2Br AC-90257 [0,1,0,1,0,0|2,0,0]=4 289 B14R2.8032 CC(=O)N1CCC2=C1C=CC=C2O AC-93463 [0,1,0,1,0,0|2,0,0]=4 290 B14R2.741 NC1CCC2=CC=CC=C2NC1=O AC-86197 [0,1,0,1,0,0|1,0,0]=3 291 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br AC-12990 [0,1,0,1,0,0|1,0,0]=3 292 B14R2.741 O=C1NC2=CC=CC=C2CCC1Cl AC-84250 [0,1,0,1,0,0|1,0,0]=3 293 B14R2.20 CC1=CC=C(C2CCC(=O)N2)C=C1 AC-89837 [0,1,0,1,0,0|1,0,0]=3 294 B14R2.20 O=C1CC(C2=CC=C(Cl)C=C2)CN1 AC-26700 [0,1,0,1,0,0|2,0,0]=4 295 B14R2.20 O=C1CC(C2=CC=C(F)C=C2)CN1 AC-82515 [0,1,0,1,0,0|2,0,0]=4 296 B14R2.20 O=C1CCC(C2=CC=C(Br)C=C2)N1 AC-79627 [0,1,0,1,0,0|1,0,0]=3 297 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 AC-76061 [0,1,0,1,0,0|0,0,0]=2 298 B14R2.5816 CC(=O)N1CCC2=C1C=C(Br)C=C2 AC-86242 [0,1,0,1,0,0|2,0,0]=4 299 B14R2.5816 CC(=O)N1CCC2=C1C=C(N)C=C2 AC-24136 [0,1,0,1,0,0|2,0,0]=4 300 B14R2.5816 NC(=O)C1CCC2=C1C=C(Cl)C=C2 AC-94362 [0,1,0,1,0,0|1,0,0]=3 301 B14R2.95 COC(=O)C1=CCC2=C1C=CC=C2 AC-93883 [0,1,0,1,0,0|0,0,2]=4 302 B10R1.18 CC(=O)CC1=CC=CN=C1 AC-86273 [0,0,0,0,2,0|2,0,0]=4 303 B10R1.18 CC(=O)CC1=CC=NC=C1 AC-20022 [0,0,0,0,2,0|2,0,0]=4 304 B10R1.18 CC(=O)CC1=NC=CC=C1 AC-56618 [0,0,0,0,2,0|2,0,0]=4 305 B10R1.18 NC(=O)CC1=CC=CC=C1 AC-64120 [0,0,0,0,2,0|1,0,0]=3 306 B10R1.18 NC(=O)CC1=CC=CN=C1 AC-82928 [0,0,0,0,2,0|2,0,0]=4 307 B10R1.18 NC(=O)NC1=CC=CC=C1 AC-76979 [0,0,0,0,2,0|2,0,0]=4 308 B10R1.18 O=C(Cl)OC1=CC=CC=C1 AC-64085 [0,0,0,0,2,0|2,0,0]=4 309 B10R1.18 O=C(O)CC1=CC=CN=C1 AC-11679 [0,0,0,0,2,0|1,0,0]=3 310 B10R1.18 O=C(O)CC1=CC=CN=C1 AC-12682 [0,0,0,0,2,0|1,0,0]=3 311 B10R1.18 O=C(O)CC1=CC=NC=C1 AC-11642 [0,0,0,0,2,0|1,0,0]=3 312 B10R1.18 O=C(O)CC1=CC=NC=C1 AC-81529 [0,0,0,0,2,0|1,0,0]=3 313 B10R1.18 O=C(O)CC1=CC=NC=N1 AC-86762 [0,0,0,0,2,0|2,0,0]=4 314 B10R1.18 O=C(O)CC1=NC=CC=C1 AC-11641 [0,0,0,0,2,0|1,0,0]=3 315 B10R1.18 O=C(O)CC1=NC=CC=C1 AC-45374 [0,0,0,0,2,0|1,0,0]=3 316 B10R1.66 O=C(O)CCC1=CC=CN1 AC-43159 [0,0,0,0,2,0|1,0,0]=3 317 B10R1.66 O=C(O)CCC1=CNC=C1 AC-93342 [0,0,0,0,2,0|1,0,0]=3 318 B10R1.66 O=C(O)CCC1=CNC=N1 AC-29787 [0,0,0,0,2,0|2,0,0]=4 319 B10R1.66 O=C(O)CCC1=NC=CN1 AC-84644 [0,0,0,0,2,0|2,0,0]=4 320 B10R1.66 O=C(O)CCC1=NC=CS1 AC-20018 [0,0,0,0,2,0|2,0,0]=4 321 B10R1.66 O=C(O)CCN1C=CC=N1 AC-50207 [0,0,0,0,2,0|2,0,0]=4 322 B10R1.66 O=C(O)CSC1=CC=CS1 AC-92866 [0,0,0,0,2,0|2,0,0]=4