0 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 AC-83113 [1,0,0,0,0,0|2,0,0]=3 1 B12R1.16 CN(CCO)C1=CC=C(N)N=C1 AC-83417 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 AC-15819 [1,0,0,0,0,0|3,0,0]=4 3 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 AC-63329 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 AC-66804 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 AC-13613 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 AC-80968 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 AC-26011 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 AC-20237 [1,0,0,0,0,0|0,0,0]=1 9 B11R1.1 CCCCC1=CC=C(Br)C=C1 AC-33706 [2,0,0,0,0,0|2,0,0]=4 10 B11R1.1 CCCCC1=CC=C(I)C=C1 AC-77139 [2,0,0,0,0,0|2,0,0]=4 11 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 AC-34962 [2,0,0,0,0,0|2,0,0]=4 12 B11R1.1 NCCCC1=CC=C(Cl)C=C1 AC-59478 [2,0,0,0,0,0|2,0,0]=4 13 B11R1.1 NCCOC1=CC=C(N)C=C1 AC-87046 [2,0,0,0,0,0|2,0,0]=4 14 B11R1.16 N#CCC(O)C1=CC=CC=C1 AC-59838 [2,0,0,0,0,0|1,0,1]=4 15 B11R1.16 NC(CCO)C1=CC=CC=C1 AC-32476 [2,0,0,0,0,0|1,0,0]=3 16 B11R1.16 NCCC(O)C1=CC=CC=C1 AC-79691 [2,0,0,0,0,0|1,0,0]=3 17 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AC-66687 [2,0,0,0,0,0|1,0,0]=3 18 B11R1.16 OCCC(O)C1=NC=CC=C1 AC-88985 [2,0,0,0,0,0|1,0,0]=3 19 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 AC-14427 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.22 CC1=CC=C(C(O)CN)C=C1 AC-32074 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.22 CCC(N)C1=CC=C(F)C=C1 AC-91805 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 AC-86145 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.22 NC(CO)C1=CC=C(F)C=C1 AC-43874 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 AC-84462 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 AC-86438 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.22 OC(CCl)C1=CC=C(Cl)C=C1 AC-88884 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.20 CC(C)CC1=CC=C(N)C=C1 AC-83816 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 AC-76049 [2,0,0,0,0,0|0,0,2]=4 29 B11R1.36 CC(C)C(Br)C1=CC=CC=C1 AC-88554 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 AC-76874 [2,0,0,0,0,0|1,0,1]=4 31 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 AC-11550 [2,0,0,0,0,0|1,0,1]=4 32 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 AC-11551 [2,0,0,0,0,0|1,0,1]=4 33 B11R1.40 NC(CO)CC1=CC=CC=C1 AC-76906 [2,0,0,0,0,0|0,0,0]=2 34 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC-11522 [2,0,0,0,0,0|0,0,0]=2 35 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 AC-12922 [1,1,0,0,0,0|0,0,2]=4 36 B13R1.36 COC1=CC=C(C(O)C(C)C)C=C1 AC-84909 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.5 COC1=CC=C(CC(N)CO)C=C1 AC-91553 [1,1,0,0,0,0|1,0,0]=3 38 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O AC-94496 [1,1,0,0,0,0|1,0,1]=4 39 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O AC-21529 [1,1,0,0,0,0|1,0,1]=4 40 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 AC-91824 [1,1,0,0,0,0|0,0,1]=3 41 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O AC-12690 [1,1,0,0,0,0|1,0,1]=4 42 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O AC-25404 [1,1,0,0,0,0|1,0,1]=4 43 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O AC-26475 [1,1,0,0,0,0|1,0,1]=4 44 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O AC-12691 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O AC-29622 [1,1,0,0,0,0|1,0,1]=4 46 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O AC-79490 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O AC-12686 [1,1,0,0,0,0|1,0,1]=4 48 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O AC-12695 [1,1,0,0,0,0|1,0,1]=4 49 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O AC-12694 [1,1,0,0,0,0|1,0,1]=4 50 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O AC-12697 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O AC-62333 [1,1,0,0,0,0|1,0,1]=4 52 B15R1.1333 N[C@@H](CO)[C@@H](O)C1=CC=C([N+](=O)[O-])C=C1 AC-61517 [0,2,0,0,0,0|0,0,1]=3 53 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(F)=C2 AC-80366 [1,0,0,1,0,0|2,0,0]=4 54 B13R2.3683 NC1CCC2=C(C=CC(Br)=C2)C1 AC-33601 [1,0,0,1,0,0|2,0,0]=4 55 B13R2.3683 NC1CCC2=C(C=CC(Cl)=C2)C1 AC-26916 [1,0,0,1,0,0|2,0,0]=4 56 B13R2.3683 NC1CCC2=C(C=CC(Cl)=C2)C1 AC-35326 [1,0,0,1,0,0|2,0,0]=4 57 B13R2.3683 NC1CCC2=C(C=CC(F)=C2)C1 AC-92638 [1,0,0,1,0,0|2,0,0]=4 58 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 AC-82131 [1,0,0,1,0,0|2,0,0]=4 59 B13R1.14 OCC(O)COC1=CC=C(Br)C=C1 AC-76483 [1,0,0,0,0,1|2,0,0]=4 60 B13R1.14 OCC(O)COC1=CC=C(Cl)C=C1 AC-59110 [1,0,0,0,0,1|2,0,0]=4