0 B14R1.686 NC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)O AC-27784 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.686 NC(CC1=CC=C(F)C(F)=C1)C(=O)O AC-18235 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.686 NC(CC1=CC=C(O)C(I)=C1)C(=O)O AC-89976 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O AC-76053 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O AC-26461 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O AC-94496 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O AC-21529 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 AC-91824 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O AC-12690 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O AC-25404 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O AC-26475 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O AC-12691 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O AC-29622 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O AC-79490 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O AC-12686 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O AC-12695 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O AC-12694 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O AC-12697 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O AC-62333 [1,0,0,0,0,0|0,0,0]=1 19 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 AC-59058 [1,0,0,0,0,0|1,0,1]=3 20 B13R1.148 NC(CC1=CC=CC(I)=C1)C(=O)O AC-94548 [1,0,0,0,0,0|1,0,0]=2 21 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 AC-76484 [1,0,0,0,0,0|2,0,0]=3 22 B13R1.511 O=C(O)CCC1=CC=C(F)C(Cl)=C1 AC-95696 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 AC-13915 [1,0,0,0,0,0|0,0,2]=3 24 B15R2.1102 O=C(O)C1=CC2=C(C=C(O)C(O)=C2)N1 AC-80742 [0,0,0,1,0,0|0,0,2]=3 25 B15R2.7254 O=C(O)C1CC2=CC=C(Cl)C(Cl)=C2O1 AC-90121 [0,0,0,1,0,0|3,0,0]=4 26 B15R2.18974 O=C(O)C1CC1C2=CC=C(F)C(Br)=C2 AC-76031 [0,0,0,1,0,0|3,0,0]=4 27 B13R1.510 O=C(O)C(O)C1=CC=C(F)C(F)=C1 AC-11810 [0,0,0,0,1,0|3,0,0]=4 28 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 AC-89210 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.21 CC(=O)CCC1=CC=C(N)C=C1 AC-87381 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 AC-62175 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 AC-79315 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AC-18562 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 AC-14340 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 AC-11965 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 AC-29981 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AC-14246 [2,0,0,0,0,0|0,0,0]=2 37 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 AC-16794 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 AC-26506 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 AC-26507 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 AC-11805 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 AC-65427 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 AC-65428 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 AC-26444 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC-13909 [2,0,0,0,0,0|0,0,2]=4 45 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O AC-14523 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O AC-64126 [2,0,0,0,0,0|2,0,0]=4 47 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O AC-23950 [2,0,0,0,0,0|0,0,0]=2 48 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O AC-89007 [2,0,0,0,0,0|0,0,0]=2 49 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O AC-90689 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O AC-94314 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O AC-94234 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O AC-77394 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O AC-75590 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O AC-10595 [2,0,0,0,0,0|0,0,0]=2 55 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 AC-93737 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 AC-67256 [2,0,0,0,0,0|1,0,0]=3 57 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC-12701 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 AC-12702 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.50 NC(CO)CC1=CC=CC(F)=C1 AC-94723 [2,0,0,0,0,0|1,0,1]=4 60 B12R1.226 CC(=O)CCC1=CC=CC(Br)=C1 AC-42792 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 AC-20108 [2,0,0,0,0,0|1,0,0]=3 62 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 AC-18563 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 AC-26679 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 AC-11964 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 AC-13911 [2,0,0,0,0,0|0,0,2]=4 66 B12R1.19 O=C(O)CC1=CC=C(O)C(O)=C1 AC-23319 [2,0,0,0,0,0|1,0,1]=4 67 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Br)C=C1 AC-86686 [1,1,0,0,0,0|1,0,0]=3 68 B14R1.134 COC(=O)[C@H](N)CC1=CC=C(O)C=C1 AC-77105 [1,1,0,0,0,0|0,0,0]=2 69 B14R1.6049 CC1=CC=C(CC(N)C(=O)O)C(F)=C1 AC-92828 [1,1,0,0,0,0|1,0,0]=3 70 B14R1.6049 NC(CC1=CC=C(O)C=C1Br)C(=O)O AC-82307 [1,1,0,0,0,0|0,0,0]=2 71 B14R1.6049 N[C@@H](CC1=CC=C(Cl)C=C1Cl)C(=O)O AC-23136 [1,1,0,0,0,0|1,0,0]=3 72 B14R1.6049 N[C@@H](CC1=CC=C(Cl)C=C1Cl)C(=O)O AC-27786 [1,1,0,0,0,0|1,0,0]=3 73 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O AC-79764 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.7626 CC(N)(CC1=CC=C(O)C=C1)C(=O)O AC-32014 [1,1,0,0,0,0|0,0,0]=2 75 B14R1.75 COC1=CC(C[C@@H](N)C(=O)O)=CC=C1 AC-77171 [1,1,0,0,0,0|0,0,0]=2 76 B14R1.75 COC1=CC(C[C@H](N)C(=O)O)=CC=C1 AC-80159 [1,1,0,0,0,0|0,0,0]=2 77 B14R1.75 N#CC1=CC(CC(N)C(=O)O)=CC=C1 AC-27143 [1,1,0,0,0,0|1,0,0]=3 78 B14R1.153 NC(CC1=CC=CC(F)=C1F)C(=O)O AC-86799 [1,1,0,0,0,0|1,0,0]=3 79 B14R1.153 N[C@H](CC1=CC=CC(F)=C1F)C(=O)O AC-28000 [1,1,0,0,0,0|1,0,0]=3 80 B14R1.542 NCC(CC1=CC=CC(Br)=C1)C(=O)O AC-92945 [1,1,0,0,0,0|1,0,0]=3 81 B14R1.4257 NC(CC1=CC(Cl)=CC(Cl)=C1)C(=O)O AC-93651 [1,1,0,0,0,0|1,0,0]=3 82 B14R1.4257 NC(CC1=CC(F)=CC(F)=C1)C(=O)O AC-18236 [1,1,0,0,0,0|1,0,0]=3 83 B14R1.4474 NC(CC1=CC(O)=CC=C1O)C(=O)O AC-93585 [1,1,0,0,0,0|0,0,0]=2 84 B14R1.4474 N[C@@H](CC1=CC(Cl)=CC=C1Cl)C(=O)O AC-86673 [1,1,0,0,0,0|1,0,0]=3 85 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1C AC-82171 [1,1,0,0,0,0|1,0,0]=3 86 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1O AC-81295 [1,1,0,0,0,0|0,0,0]=2 87 B14R1.42 COC1=CC(CC[N+](=O)[O-])=CC=C1O AC-30379 [1,1,0,0,0,0|1,0,1]=4 88 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O AC-10793 [1,1,0,0,0,0|0,0,2]=4 89 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O AC-23757 [1,1,0,0,0,0|0,0,2]=4 90 B14R1.833 COC(=O)\C=C\C1=CC=C(O)C(O)=C1 AC-89580 [1,1,0,0,0,0|0,0,2]=4 91 B16R1.11361 NC(CC(=O)O)CC1=CC(F)=C(F)C=C1F AC-88092 [0,1,0,0,0,1|2,0,0]=4 92 B16R1.11361 N[C@H](CC(=O)O)CC1=CC(F)=C(F)C=C1F AC-86434 [0,1,0,0,0,1|2,0,0]=4 93 B16R1.4274 COC1=CC=C(C[C@H](N)C(=O)O)C=C1OC AC-23355 [0,2,0,0,0,0|0,0,0]=2 94 B16R1.1058 NC(CC1=CC=C(O)C([N+](=O)[O-])=C1)C(=O)O AC-94108 [0,2,0,0,0,0|0,0,1]=3 95 B16R1.1627 COC(=O)[C@@H](N)CC1=CC(Br)=C(O)C(Br)=C1 AC-83494 [0,2,0,0,0,0|1,0,0]=3 96 B14R2.4402 O=C(O)C1CC1C2=CC=C(F)C=C2 AC-76061 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Br)=C2 AC-83478 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.7969 CC1=C2OC(C(=O)O)CC2=CC=C1 AC-86038 [1,0,0,1,0,0|2,0,0]=4 99 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 AC-81468 [1,0,0,1,0,0|0,0,2]=4 100 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 AC-29657 [1,0,0,0,1,0|2,0,0]=4 101 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 AC-89985 [1,0,0,0,1,0|1,0,0]=3 102 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 AC-83059 [1,0,0,0,1,0|1,0,0]=3 103 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 AC-88040 [1,0,0,0,1,0|2,0,0]=4 104 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 AC-13613 [1,0,0,0,1,0|2,0,0]=4 105 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 AC-80968 [1,0,0,0,1,0|2,0,0]=4 106 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 AC-26011 [1,0,0,0,1,0|2,0,0]=4 107 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 AC-96133 [1,0,0,0,1,0|2,0,0]=4 108 B12R1.225 CC1=CC(C(N)C(=O)O)=CC=C1 AC-92254 [1,0,0,0,1,0|1,0,0]=3 109 B12R1.225 NC(C(=O)O)C1=CC=CC(Br)=C1 AC-24324 [1,0,0,0,1,0|1,0,0]=3 110 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 AC-90271 [1,0,0,0,1,0|1,0,0]=3 111 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 AC-45416 [1,0,0,0,1,0|1,0,0]=3