0 B11R1.15 C=CC[C@H](N)C1=CC=C(C)O1 N16768 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.15 C=CC[C@H](N)C1=CC=C(C)O1 N16769 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.15 C=CC[C@H](N)C1=CC=C(C)O1 N16770 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.15 CC1=CC=C([C@@H](N)CCO)O1 N16777 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.15 CC1=CC=C([C@@H](N)CCO)O1 N16778 [0,0,0,0,0,0|1,0,2]=3 5 B11R1.15 CC1=CC=C([C@@H](N)CCO)O1 N16779 [0,0,0,0,0,0|1,0,2]=3 6 B11R1.15 CCC[C@H](N)C1=CC=C(C)O1 N16750 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.15 CCC[C@H](N)C1=CC=C(C)O1 N16751 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.15 CCC[C@H](N)C1=CC=C(C)O1 N16752 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.15 N[C@@H](CCO)C1=CC=C(Br)O1 N14884 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.15 N[C@@H](CCO)C1=CC=C(Br)O1 N14885 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16704 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.11 C=CC[C@H](N)C1=CC=CO1 N16705 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N13126 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16710 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16711 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.14 C=C[C@H](N)C1=CC=C(C)O1 N16764 [1,0,0,0,0,0|1,0,1]=3 20 B10R1.14 C=C[C@H](N)C1=CC=C(C)O1 N16766 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.14 C=C[C@H](N)C1=CC=C(C)O1 N16767 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.14 CC1=CC=C(C(=O)CO)O1 AC5801 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.14 CC1=CC=C([C@@H](N)CO)O1 N16761 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.14 CC1=CC=C([C@@H](N)CO)O1 N16762 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.14 CC1=CC=C([C@@H](N)CO)O1 N16763 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.14 NC[C@H](N)C1=CC=C(Br)O1 N14886 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.16 CC1=CC=C(CCCN)S1 W12103 [1,0,0,0,0,0|1,1,1]=4 28 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16753 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16754 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16755 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.103 CC1=CC=C([C@@H](N)CC(=O)O)O1 N12287 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.103 CC1=CC=C([C@@H](N)CC(=O)O)O1 N16774 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.103 CC1=CC=C([C@@H](N)CC(=O)O)O1 N16776 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.103 CC1=CC=C([C@@H](N)CC(=O)O)S1 AC7487 [0,1,0,0,0,0|1,1,0]=3 35 B12R1.103 N[C@@H](CC(=O)O)C1=CC=C(Br)O1 N12416 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.103 N[C@@H](CC(=O)O)C1=CC=C(Br)O1 N14881 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.103 N[C@@H](CC(=O)O)C1=CC=C(Br)O1 N14882 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16701 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16702 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.11 C=C[C@H](N)C1=CC=CO1 N16703 [2,0,0,0,0,0|1,0,1]=4 41 B9R1.11 N[C@@H](CO)C1=CC=CO1 C78116 [2,0,0,0,0,0|1,0,1]=4 42 B9R1.12 O=CCCN1C=CC=N1 H11819 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.7 CC1=CC=C(CCN)S1 31616 [2,0,0,0,0,0|1,1,0]=4 44 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [2,0,0,0,0,0|1,0,1]=4 45 B9R1.35 CC(C)C1=CN=C(Br)O1 AT18460 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.35 CC(C)C1=CN=C(Cl)O1 AT18556 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.35 CC(C)C1=CN=C(N)O1 AT18720 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.35 CC(C)C1=NC=C(Br)O1 AT18554 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.35 CC1=CC=C([C@H](C)N)O1 N12562 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12182 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.35 CC1=CN=C([C@H](C)N)O1 F53855 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.35 C[C@H](Cl)C1=CC=C(Cl)O1 55261 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y12846 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.35 C[C@H](O)C1=CC=C(Cl)O1 55260 [2,0,0,0,0,0|1,0,1]=4 55 B11R1.33 C#CC[C@](C)(O)C1=CC=CO1 AC7501 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 D76619 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 N12538 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CO1 N12564 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.77 O=[N+]([O-])C[C@H](O)C1=CC=CO1 AC6290 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.314 CC1=CC=C(C(N)C(C)O)O1 N16780 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.314 CC1=CC=C([C@@H](N)C(C)C)O1 N16756 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.314 CC1=CC=C([C@@H](N)C(C)C)O1 N16757 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.314 CC1=CC=C([C@@H](N)C(C)C)O1 N16758 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.314 CC1=CC=C([C@@H](N)[C@@H](C)O)O1 N16781 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.314 CC1=CC=C([C@@H](N)[C@@H](C)O)O1 N16783 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.314 CC1=CC=C([C@@H](N)[C@H](C)O)O1 N16782 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.314 CC1=CC=C([C@@H](N)[C@H](C)O)O1 N16784 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.314 CC1=NN([C@@H](C)C(=O)O)C=C1 AT10921 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.75 CC1=NC(CCC(=O)O)=CS1 AT24339 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.75 CC1=NC(CCC(=O)O)=CS1 AT24340 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.132 CC1=NC=C([C@@H](N)CC(=O)O)C=C1 N11364 [0,1,0,0,0,1|2,0,0]=4 72 B13R1.147 CC1=CC=CC([C@@H](N)CC(=O)O)=N1 N10922 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.147 C[C@@H](CC(=O)O)C1=CC(O)=CC=C1 AC6266 [0,1,0,0,0,1|2,0,0]=4 74 B13R1.10 COC(=O)C[C@H](N)C1=CC=C(Br)O1 N14883 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.10 COC(=O)C[C@H](N)C1=CC=C(C)O1 N16771 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.10 COC(=O)C[C@H](N)C1=CC=C(C)O1 N16772 [0,2,0,0,0,0|1,0,0]=3 77 B13R1.10 COC(=O)C[C@H](N)C1=CC=C(C)O1 N16773 [0,2,0,0,0,0|1,0,0]=3 78 B11R2.352 CC1=CN=C(C2CNC2)O1 50242 [1,0,0,1,0,0|2,0,0]=4 79 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)C1 91860 [0,0,0,1,0,1|2,0,0]=4 80 B13R2.151 O=C1CC(C2=CC=CC(F)=C2)C1 91864 [0,0,0,1,0,1|2,0,0]=4 81 B11R1.24 CC1=CC=CC(CCC=O)=C1 C10532 [1,0,0,0,0,1|1,0,0]=3 82 B11R1.24 O=CCCC1=CC(O)=CC=C1 F19734 [1,0,0,0,0,1|2,0,0]=4