0 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 AC-4450 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 AC-4451 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 AC-25338 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.3 COC1=CC=C(C[C@@H](N)C(=O)O)C=C1 AC-25554 [0,0,0,0,0,0|1,0,1]=2 4 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 AC-25337 [0,0,0,0,0,0|1,0,1]=2 5 B14R1.3 N#CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 AC-7941 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 AC-7943 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 AC-2921 [1,0,0,0,0,0|0,0,1]=2 8 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 AC-10371 [1,0,0,0,0,0|0,0,1]=2 9 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O AC-8180 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 AC-9927 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 AC-9926 [1,0,0,0,0,0|1,0,1]=3 12 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 AC-13399 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O AC-13535 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O AC-9879 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O AC-9899 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O AC-24050 [1,0,0,0,0,0|1,0,1]=3 17 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 AC-5869 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 AC-13622 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 AC-5868 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O AC-25561 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O AC-5844 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O AC-12374 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O AC-5833 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O AC-5858 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O AC-28732 [1,0,0,0,0,0|1,0,1]=3 26 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O AC-25560 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O AC-25559 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O AC-5845 [1,0,0,0,0,0|2,0,1]=4 29 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O AC-5834 [1,0,0,0,0,0|2,0,1]=4 30 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O AC-5859 [1,0,0,0,0,0|2,0,1]=4 31 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O AC-8668 [1,0,0,0,0,0|1,0,1]=3 32 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 AC-7498 [1,0,0,0,0,0|0,0,0]=1 33 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 AC-29812 [1,0,0,0,0,0|1,0,2]=4 34 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 AC-29813 [1,0,0,0,0,0|1,0,2]=4 35 B13R1.133 [C@@H](N)(CC1=CC=C(Br)C=C1)C(=O)O AC-5857 [1,0,0,0,0,0|2,0,1]=4 36 B13R1.133 [C@H](C)(OC1=CC=C(O)C=C1)C(=O)O AC-19754 [1,0,0,0,0,0|2,0,1]=4 37 B13R1.133 [C@H](N)(CC1=CC=C(Br)C=C1)C(=O)O AC-5856 [1,0,0,0,0,0|2,0,1]=4 38 B13R1.133 [C@H](N)(CC1=CC=C(F)C=C1)C(=O)O AC-8681 [1,0,0,0,0,0|2,0,1]=4 39 B13R1.133 [C@H](N)(CC1=CC=C(O)C=C1)C(=O)O AC-11295 [1,0,0,0,0,0|1,0,1]=3 40 B15R1.16 CCOC1=CC=C(C[C@H](N)C(=O)O)C=C1 AC-26597 [0,1,0,0,0,0|1,0,1]=3 41 B15R2.4834 COC1=CC2=C(C=C1)N=C(C(N)=O)S2 AC-31259 [0,0,0,1,0,0|2,1,0]=4 42 B15R2.4834 COC1=CC=C2C=C(C(=O)O)NC2=C1 AC-9837 [0,0,0,1,0,0|1,0,1]=3 43 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=C1 AC-19422 [0,0,0,1,0,0|2,0,0]=3 44 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=C1 AC-9836 [0,0,0,1,0,0|2,0,0]=3 45 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 AC-23606 [0,0,0,0,1,0|1,0,1]=3 46 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 AC-23823 [0,0,0,0,1,0|0,0,2]=3 47 B13R1.36 COC1=CC=C(C(O)C(C)=O)C=C1 AC-20917 [0,0,0,0,1,0|1,0,2]=4 48 B13R1.36 COC1=CC=C([C@@H](O)C(=O)O)C=C1 AC-23824 [0,0,0,0,1,0|0,0,2]=3 49 B13R1.36 COC1=CC=C([C@H](O)C(=O)O)C=C1 AC-23825 [0,0,0,0,1,0|0,0,2]=3 50 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 AC-24193 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 AC-2401 [2,0,0,0,0,0|0,0,1]=3 52 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 AC-8263 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 AC-7414 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 AC-5144 [2,0,0,0,0,0|0,0,1]=3 55 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 AC-10323 [2,0,0,0,0,0|1,0,1]=4 56 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 AC-10322 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 AC-10329 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC-34130 [2,0,0,0,0,0|0,0,1]=3 59 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC-34133 [2,0,0,0,0,0|0,0,1]=3 60 B12R1.71 COC1=CC=C(CCCO)C=C1 AC-8529 [2,0,0,0,0,0|0,0,2]=4 61 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 AC-2432 [2,0,0,0,0,0|0,0,0]=2 62 B12R1.4 COC1=CC=C(CC(=O)O)C=N1 AC-23454 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 AC-5625 [2,0,0,0,0,0|0,0,1]=3 64 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 AC-22906 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 AC-1560 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 AC-17002 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 AC-14361 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O AC-24032 [2,0,0,0,0,0|1,0,1]=4 69 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O AC-22417 [2,0,0,0,0,0|1,0,1]=4 70 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O AC-11292 [2,0,0,0,0,0|1,0,1]=4 71 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O AC-8664 [2,0,0,0,0,0|1,0,1]=4 72 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 AC-116009 [2,0,0,0,0,0|0,0,0]=2 73 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 AC-5645 [2,0,0,0,0,0|0,0,2]=4 74 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 AC-5644 [2,0,0,0,0,0|0,0,2]=4 75 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 AC-5733 [2,0,0,0,0,0|0,0,1]=3 76 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 AC-23773 [1,1,0,0,0,0|0,0,1]=3 77 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 AC-6599 [1,1,0,0,0,0|0,0,1]=3 78 B14R1.2 COC1=CC=C([C@H](N)CC(=O)O)C=C1 AC-6598 [1,1,0,0,0,0|0,0,1]=3 79 B14R1.5 COC(=O)\C=C\C1=CC=C(OC)C=C1 AC-12823 [1,1,0,0,0,0|0,0,1]=3 80 B14R1.103 COC1=CC=C(\C=C\C(=O)O)C(F)=C1 AC-4179 [1,1,0,0,0,0|0,0,1]=3 81 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1O AC-34927 [1,1,0,0,0,0|0,0,1]=3 82 B14R1.6 COC1=CC=C(C\C(=C\F)CN)C=C1 AC-31511 [1,1,0,0,0,0|2,0,0]=4 83 B14R1.134 COC(=O)C(N)CC1=CC=C(O)C=C1 AC-19246 [1,1,0,0,0,0|1,0,1]=4 84 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 AC-14499 [1,1,0,0,0,0|1,0,1]=4 85 B14R1.686 NC1=C(O)C=CC(CC(N)C(=O)O)=C1 AC-19156 [1,1,0,0,0,0|1,0,1]=4 86 B14R1.686 N[C@@H](CC1=CC(I)=C(O)C=C1)C(=O)O AC-7495 [1,1,0,0,0,0|1,0,1]=4 87 B14R1.686 N[C@@H](CC1=CC=C(O)C(Cl)=C1)C(=O)O AC-14498 [1,1,0,0,0,0|1,0,1]=4 88 B14R1.686 N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)O AC-8432 [1,1,0,0,0,0|1,0,1]=4 89 B14R1.686 O=C(O)[C@H](O)CC1=CC(O)=C(O)C=C1 AC-7985 [1,1,0,0,0,0|0,0,2]=4 90 B14R1.6049 CC1=C(CC(N)C(=O)O)C=CC(O)=C1 AC-13253 [1,1,0,0,0,0|1,0,1]=4 91 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O AC-32982 [1,1,0,0,0,0|1,0,1]=4 92 B14R1.213 COC1=CC=C(C(F)(F)C(=O)O)C=C1 AC-29771 [0,1,0,0,1,0|1,0,1]=4 93 B16R1.4274 COC1=C(OC)C=C(C[C@H](N)C(=O)O)C=C1 AC-9278 [0,2,0,0,0,0|1,0,1]=4 94 B14R2.134 COC1=CC=C2C=CC(=O)OC2=C1 AC-34354 [1,0,0,1,0,0|0,0,1]=3 95 B14R2.134 COC1=CC=C2CCC(=O)CC2=C1 AC-3268 [1,0,0,1,0,0|1,0,1]=4 96 B14R2.2332 COC1=CC=C2CC(=O)CCC2=C1 AC-4363 [1,0,0,1,0,0|1,0,1]=4 97 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 AC-28109 [1,0,0,1,0,0|1,0,0]=3 98 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 AC-6367 [1,0,0,1,0,0|1,0,1]=4 99 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 AC-22683 [1,0,0,1,0,0|2,0,0]=4 100 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 AC-27953 [0,0,0,1,1,0|1,0,0]=3 101 B16R2.3108 COC(=O)[C@@H]1O[C@H]1C2=CC=C(OC)C=C2 AC-22558 [0,1,0,1,0,0|0,0,2]=4 102 B16R2.7604 COC(=O)C1=CC2=CC=C(OC)C=C2N1 AC-23009 [0,1,0,1,0,0|1,0,1]=4 103 B16R2.7486 COC1=CC=C2N=C(C(=O)O)C=CC2=C1 AC-18565 [0,1,0,1,0,0|2,0,0]=4 104 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 AC-7084 [1,0,0,0,1,0|2,0,0]=4 105 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 AC-2404 [1,0,0,0,1,0|1,0,1]=4 106 B12R1.5 COC1=CC=C(C(=O)CI)C=C1 AC-20915 [1,0,0,0,1,0|1,0,1]=4 107 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 AC-5485 [1,0,0,0,1,0|1,0,1]=4 108 B12R1.20 CC1=CC=C(C(N)C(=O)O)C=C1 AC-24598 [1,0,0,0,1,0|1,0,1]=4 109 B12R1.20 CC1=CC=C(C(O)C(=O)O)C=C1 AC-19772 [1,0,0,0,1,0|0,0,2]=4 110 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(O)C=C1 AC-1085 [1,0,0,0,1,0|1,0,1]=4 111 B12R1.20 N[C@H](C(=O)O)C1=CC=C(O)C=C1 AC-24628 [1,0,0,0,1,0|1,0,1]=4 112 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 AC-19775 [1,0,0,0,1,0|0,0,2]=4 113 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 AC-3356 [1,0,0,0,0,1|0,0,1]=3 114 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O AC-10485 [1,0,0,0,0,1|1,0,1]=4 115 B14R1.679 [C@H](N)(CCC1=CC=C(O)C=C1)C(=O)O AC-19160 [1,0,0,0,0,1|1,0,1]=4 116 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 AC-22235 [1,0,0,0,0,1|1,0,1]=4 117 B14R1.698 CC1=CC=C(C[C@H](N)CC(=O)O)C=C1 AC-22234 [1,0,0,0,0,1|1,0,1]=4 118 B14R1.698 NC(CC(=O)O)CC1=CC=C(O)C=C1 AC-30076 [1,0,0,0,0,1|1,0,1]=4 119 B14R1.75 COC1=CC=CC(C[C@@H](N)C(=O)O)=C1 AC-24594 [0,0,0,0,1,1|1,0,1]=4 120 B16R1.5 COC1=CC=C(CSCC(N)C(=O)O)C=C1 AC-19194 [0,0,0,0,0,2|1,0,1]=4