0 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 18243 [1,0,0,0,0,0|3,0,0]=4 1 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 20483 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 26486 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.34 N[C@@H](CO)[C@@H](O)c1ccccc1 6415 [1,0,0,0,0,0|0,0,0]=1 4 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 16203 [1,0,0,0,0,0|0,0,0]=1 5 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 23966 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 23081 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.1 CCCCC1=CC=C(Br)C=C1 15109 [2,0,0,0,0,0|2,0,0]=4 8 B11R1.1 CCCCC1=CC=C(I)C=C1 3969 [2,0,0,0,0,0|2,0,0]=4 9 B11R1.1 CCCCC1=CC=C(N)C=C1 23885 [2,0,0,0,0,0|1,0,0]=3 10 B11R1.1 CCCCC1=CC=C(N)C=N1 26081 [2,0,0,0,0,0|2,0,0]=4 11 B11R1.1 ClC1=CC=C(CCCBr)C=C1 25685 [2,0,0,0,0,0|2,0,0]=4 12 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 23877 [2,0,0,0,0,0|2,0,0]=4 13 B11R1.1 NC1=CC=C(NCCO)C=C1 20871 [2,0,0,0,0,0|1,0,0]=3 14 B11R1.1 NCCCC1=CC=C(O)C=C1 35658 [2,0,0,0,0,0|2,0,0]=4 15 B11R1.1 OCCCC1=CC=C(Br)C=C1 3984 [2,0,0,0,0,0|1,0,0]=3 16 B11R1.1 OCCCC1=CC=C(Cl)C=C1 9806 [2,0,0,0,0,0|1,0,0]=3 17 B11R1.1 OCCCC1=CC=C(O)C=C1 25607 [2,0,0,0,0,0|1,0,0]=3 18 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 24143 [2,0,0,0,0,0|2,0,0]=4 19 B11R1.16 NC(CCO)C1=CC=CC=C1 13908 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 13854 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 13853 [2,0,0,0,0,0|1,0,0]=3 22 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 16121 [2,0,0,0,0,0|1,0,0]=3 23 B11R1.16 OC(CCCl)C1=CC=CC=C1 14094 [2,0,0,0,0,0|1,0,0]=3 24 B11R1.16 OC(CCCl)C1=CC=CC=C1 6275 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 5738 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.22 CC1=CC=C([C@H](O)CN)C=C1 19376 [2,0,0,0,0,0|1,0,0]=3 27 B11R1.22 CCC(=O)C1=CC=C(N)C=C1 35537 [2,0,0,0,0,0|0,0,2]=4 28 B11R1.22 CC[C@@H](O)C1=CC=C(Br)C=C1 15566 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.22 CC[C@@H](O)C1=CC=C(Cl)C=C1 15579 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.22 CC[C@@H](O)C1=CC=C(F)C=C1 15586 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 19370 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.22 NCC(O)C1=CC=C(O)C=C1 18242 [2,0,0,0,0,0|1,0,0]=3 33 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 27665 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 27490 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.20 CC(C)OC1=CC=C(N)C=C1 28330 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.20 CC(N)CC1=CC=C(F)C=C1 19961 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.20 Nc1ccc(CC(=O)O)cc1 22147 [2,0,0,0,0,0|1,0,1]=4 38 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 6066 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.36 O=C(O)[C@@H](O)c1ccccc1 6067 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 21083 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.40 NC(CO)CC1=CC=CC=C1 30327 [2,0,0,0,0,0|0,0,0]=2 42 B11R1.40 N[C@@H](CO)Cc1ccccc1 6909 [2,0,0,0,0,0|0,0,0]=2 43 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 5724 [2,0,0,0,0,0|0,0,0]=2 44 B13R1.452 COC1=CC=C([C@H](N)CCO)C=C1 35532 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.133 CC1=CC=C(CC(N)B(O)O)C=C1 33623 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29803 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 29802 [1,1,0,0,0,0|1,0,1]=4 48 B13R1.133 NC(CC1=CC=C(F)C=C1)B(O)O 33624 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 14882 [1,1,0,0,0,0|1,0,1]=4 50 B13R1.133 NC(CC1=CC=C(I)C=C1)C(=O)O 14881 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 19059 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.133 NC1=CC=C(C[C@@H](N)C(=O)O)C=C1 29898 [1,1,0,0,0,0|0,0,1]=3 53 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 12019 [1,1,0,0,0,0|0,0,1]=3 54 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 13161 [1,1,0,0,0,0|0,0,1]=3 55 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 18012 [1,1,0,0,0,0|1,0,1]=4 56 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 17995 [1,1,0,0,0,0|1,0,1]=4 57 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 23297 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17502 [1,1,0,0,0,0|1,0,1]=4 59 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 17965 [1,1,0,0,0,0|1,0,1]=4 60 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 12040 [1,1,0,0,0,0|1,0,1]=4 61 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 14347 [1,1,0,0,0,0|1,0,1]=4 62 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 18011 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O 23285 [1,1,0,0,0,0|1,0,1]=4 64 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 12305 [1,1,0,0,0,0|1,0,1]=4 65 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 23298 [1,1,0,0,0,0|1,0,1]=4 66 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 12021 [1,1,0,0,0,0|1,0,1]=4 67 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O 18647 [1,1,0,0,0,0|1,0,1]=4 68 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O 13030 [1,1,0,0,0,0|1,0,1]=4 69 B15R1.1333 N[C@H](CO)[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 29013 [0,2,0,0,0,0|0,0,1]=3 70 B13R2.5179 NC1CCOC2=CC(Br)=CC=C21 31660 [1,0,0,1,0,0|2,0,0]=4 71 B13R2.5179 NC1CCOC2=CC(F)=CC=C21 25816 [1,0,0,1,0,0|2,0,0]=4 72 B13R2.5179 OC1CCOC2=CC(Br)=CC=C21 31659 [1,0,0,1,0,0|1,0,0]=3 73 B13R2.3683 NC1CCC2=CC(Br)=CC=C2C1 16651 [1,0,0,1,0,0|2,0,0]=4 74 B13R2.3683 NC1CCC2=CC(Br)=CC=C2C1 16652 [1,0,0,1,0,0|2,0,0]=4 75 B13R2.3683 NC1CCC2=CC(Cl)=CC=C2C1 16619 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.3683 NC1CCC2=CC(Cl)=CC=C2C1 16621 [1,0,0,1,0,0|2,0,0]=4 77 B13R2.3683 N[C@H]1CCC2=CC(Br)=CC=C2C1 23248 [1,0,0,1,0,0|2,0,0]=4