0 B11R1.29 CCCCC(=O)C1=CC=CO1 N14288 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16698 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16699 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16700 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.29 CCCC[C@H](N)C1=COC=C1 N16729 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.29 CCCC[C@H](N)C1=COC=C1 N16730 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.29 CCCC[C@H](N)C1=COC=C1 N16731 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.29 NCCNC(=O)C1=CC=CO1 F21147 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.29 NCCNC(=O)C1=CC=CS1 F21146 [0,0,0,0,0,0|2,1,0]=3 9 B11R1.29 NCCNC(=O)C1=CSC=C1 F21225 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [1,0,0,0,0,0|0,0,0]=1 11 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [1,0,0,0,0,0|1,0,1]=3 14 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y14857 [1,0,0,0,0,0|1,1,1]=4 15 B10R1.11 COCC(=O)C1=CC=CO1 AT17460 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N13126 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16710 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16711 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.11 O=C(CCCl)C1=CC=CS1 D76604 [1,0,0,0,0,0|1,1,0]=3 20 B10R1.21 OCCNCC1=CC=CO1 F16080 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.15 COC(=O)CC(=O)C1=CC=CS1 84769 [0,1,0,0,0,0|1,1,1]=4 22 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16753 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16754 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16755 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.35 CCCCOC(=O)C1=CSC=C1 T72281 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.35 NCCCNC(=O)C1=CC=CS1 F21100 [0,1,0,0,0,0|1,1,0]=3 27 B12R1.55 CCC[C@H](Br)C(=O)C1=CC=CS1 C11139 [0,1,0,0,0,0|0,1,0]=2 28 B12R2.2 C1=COC([C@@H]2CCCCN2)=C1 N12707 [0,0,0,1,0,0|1,0,1]=3 29 B12R2.2 C1=CSC(N2CCCCC2)=C1 RB3228 [0,0,0,1,0,0|2,1,0]=4 30 B12R2.2 C1=CSC([C@@H]2CCCCN2)=C1 N12927 [0,0,0,1,0,0|1,1,1]=4 31 B12R2.229 O=C1NCCCC2=C1C=CO2 D86986 [0,0,0,1,0,0|3,0,0]=4 32 B12R1.30 CCCCC(=O)C1=CC=NC=C1 N14246 [0,0,0,0,0,1|1,0,0]=2 33 B12R1.30 CCCCC(=O)C1=NC=CC=C1 N12234 [0,0,0,0,0,1|1,0,0]=2 34 B12R1.30 CCCC[C@H](N)C1=CC=NC=C1 N12642 [0,0,0,0,0,1|2,0,1]=4 35 B12R1.30 CCCC[C@H](N)C1=NC=CC=C1 N12541 [0,0,0,0,0,1|2,0,1]=4 36 B12R1.30 NCCCC(=O)C1=CN=CC=C1 D84284 [0,0,0,0,0,1|2,0,0]=3 37 B12R1.30 O=C(NCCO)C1=NC=CC=C1 C73151 [0,0,0,0,0,1|3,0,0]=4 38 B12R1.30 O=C(OCCO)C1=CC=CC=C1 E72195 [0,0,0,0,0,1|3,0,0]=4 39 B12R1.30 O=C(SCCS)C1=CC=CC=C1 D76612 [0,0,0,0,0,1|3,0,0]=4 40 B9R1.11 O=C(CCl)C1=CN=CO1 AT18682 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [2,0,0,0,0,0|1,1,0]=4 42 B9R1.12 CNCCC1=CC=CS1 AT16732 [2,0,0,0,0,0|1,1,0]=4 43 B9R1.12 ICCCC1=CC=CS1 AC6959 [2,0,0,0,0,0|1,1,0]=4 44 B11R1.15 CCCC(=O)C1=CC=C(Cl)S1 L10051 [1,1,0,0,0,0|0,1,0]=3 45 B11R1.15 CCC[C@H](N)C1=CC=C(C)O1 N16750 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.15 CCC[C@H](N)C1=CC=C(C)O1 N16751 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.15 CCC[C@H](N)C1=CC=C(C)O1 N16752 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.15 CCOC(=O)C1=CC(C)=NO1 26405 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.15 CCOC(=O)C1=CC(Cl)=CN1 68050 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.15 CCOC(=O)C1=CC(I)=CN1 86090 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.15 CCOC(=O)C1=CN=C(C)O1 F14065 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.199 CCOC(=O)C1=C(C)C=NO1 A51018 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.199 CCOC(=O)C1=C(Cl)N=CO1 S11634 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.199 CCOC(=O)C1=C(N)C=CS1 50682 [1,1,0,0,0,0|1,1,0]=4 55 B11R1.4 CCCCOCC1=CC=CO1 S11931 [1,1,0,0,0,0|0,0,1]=3 56 B13R1.17 O=C(CCCI)C1=CC=C(F)C=C1 AC9670 [0,1,0,0,0,1|2,0,0]=4 57 B13R1.18 CCCCC(=O)C1=CC(Br)=CN=C1 N14271 [0,1,0,0,0,1|1,0,0]=3 58 B13R1.18 CCCCC(=O)C1=CC(C)=CC=C1 N13970 [0,1,0,0,0,1|1,0,0]=3 59 B13R1.18 CCCCC(=O)C1=CC(Cl)=NC=C1 N14280 [0,1,0,0,0,1|1,0,0]=3 60 B13R1.18 CCCCC(=O)C1=CC=CC(Br)=C1 N13964 [0,1,0,0,0,1|1,0,0]=3 61 B13R1.18 CCCCC(=O)C1=CC=CC(Cl)=C1 N13956 [0,1,0,0,0,1|1,0,0]=3 62 B13R1.18 CCCCC(=O)C1=NC=CC(Cl)=C1 N14250 [0,1,0,0,0,1|1,0,0]=3 63 B13R1.18 O=C(CCCCl)C1=CC(Br)=CN=C1 C11589 [0,1,0,0,0,1|2,0,0]=4 64 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 96853 [0,1,0,0,0,1|1,0,1]=4 65 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 F21154 [0,1,0,0,0,1|2,0,0]=4 66 B13R1.24 O=C(OCCCCl)C1=CC=CC=C1 N10696 [0,1,0,0,0,1|2,0,0]=4 67 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 76887 [0,1,0,0,0,1|2,0,0]=4 68 B13R1.45 C[C@H](O)CNC(=O)C1=CC=CC=C1 32386 [0,1,0,0,0,1|2,0,0]=4 69 B13R1.674 CCCCC(=O)C1=C(C)C=CC=C1 N13967 [0,1,0,0,0,1|1,0,0]=3 70 B13R1.674 CCCCC(=O)C1=C(Cl)C=CC=C1 N13953 [0,1,0,0,0,1|1,0,0]=3 71 B13R1.674 CCCCC(=O)C1=NC=CC=C1C N12293 [0,1,0,0,0,1|1,0,0]=3 72 B13R1.674 CCCNC(=O)C1=CC=CN=C1Cl 77547 [0,1,0,0,0,1|2,0,0]=4 73 B13R1.65 CC[C@@H](CO)NC(=O)C1=CC=CO1 31755 [0,2,0,0,0,0|1,0,0]=3 74 B11R1.17 OCCCC1=C(O)C=CC=N1 85302 [0,0,1,1,0,0|2,0,0]=4 75 B11R1.24 NCCCC1=CC=CC(O)=C1 C78310 [0,0,1,1,0,0|2,0,0]=4 76 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N16712 [1,0,0,1,0,0|1,0,1]=4 77 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N16713 [1,0,0,1,0,0|1,0,1]=4 78 B11R2.106 O=C1CCCC2=C1NC=C2 F30748 [1,0,0,1,0,0|1,0,0]=3 79 B11R2.106 O=C1CCCN2C=CN=C12 AT24571 [1,0,0,1,0,0|2,0,0]=4 80 B11R2.1031 O=C(C1=CC=CO1)C2CC2 D85654 [1,0,0,1,0,0|0,0,0]=2 81 B13R2.371 CN1CCC(=O)C2=C1C=CC=C2 93242 [0,0,0,1,0,1|2,0,0]=4 82 B13R2.371 N[C@H]1CCC(=O)C2=C1C=CC=C2 73528 [0,0,0,1,0,1|2,0,0]=4 83 B13R2.371 O=C1CC[C@H](Br)C2=C1C=CC=C2 AT21616 [0,0,0,1,0,1|2,0,0]=4 84 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 O11475 [0,0,0,1,0,1|2,0,0]=4 85 B13R2.8137 O=C(C1=CC=CC=C1)C2CNC2 P14545 [0,0,0,1,0,1|2,0,0]=4