0 B12R1.32 C#CCN(C)CC1=CC=CC=C1 P8832 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.28 C=CCNCC1=CC=CC=C1 A18060 [1,0,0,0,0,0|3,0,0]=4 2 B11R1.40 C(=O)\C(Br)=C\C1=CC=CC=C1 B0897 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 M17930 [1,0,0,0,0,0|0,0,2]=3 4 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 A2030 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 P5891 [1,0,0,0,0,0|1,0,2]=4 7 B13R1.135 CNC(=O)C(C)CC1=CC=CC=C1 M13164 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 H9711 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 A9710 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 B15290 [0,0,0,1,0,0|1,0,1]=3 11 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 B16950 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.135 CC1=C(C=O)C2=CC=CC=C2N1 M0458 [0,0,0,1,0,0|2,0,1]=4 13 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 M1949 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.328 NC1=NC2=C(C=CC=C2)C(=O)N1 A15472 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 H7527 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 B6500 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.328 O=C1NC(Cl)=NC2=C1C=CC=C2 C19400 [0,0,0,1,0,0|2,0,1]=4 18 B10R1.17 CNCCC1=CC=CC=C1 M12421 [2,0,0,0,0,0|0,0,1]=3 19 B10R1.17 CNCCC1=CC=NC=C1 M12425 [2,0,0,0,0,0|1,0,1]=4 20 B10R1.17 CNCCC1=NC=CC=C1 B5398 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.17 CNCCC1=NC=CC=C1 B6262 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.252 CC(=O)CSCC1=CC=CC=C1 B8221 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.252 NC(=O)CNCC1=CC=CC=C1 B13928 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B3212 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.252 O=C(O)CNCC1=CC=CC=C1 B9099 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O B7538 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.43 CC(CC1=CC=NC=N1)C(=O)O M14751 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.43 CC(CC1=NC=CC=N1)C(=O)O M14643 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O P0034 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O A5988 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O P0032 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O P7721 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O P7717 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O P0823 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O P7716 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O P0033 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O P7720 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 P7705 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 H7711 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 P1200 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.118 CNC(CO)CC1=CC=CC=C1 M7684 [1,1,0,0,0,0|0,0,1]=3 44 B12R1.118 CNC(CO)CC1=CC=CC=C1 M9105 [1,1,0,0,0,0|0,0,1]=3 45 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 A12635 [0,1,0,0,1,0|2,0,0]=4 46 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 H14844 [0,1,0,0,1,0|2,0,0]=4 47 B14R1.425 C[C@@H](SC1=CC=CC=C1)[C@@H](N)C(=O)O A9510 [0,2,0,0,0,0|2,0,0]=4 48 B14R1.425 C[C@H](SC1=CC=CC=C1)[C@H](N)C(=O)O A9509 [0,2,0,0,0,0|2,0,0]=4 49 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O A17912 [0,2,0,0,0,0|2,0,0]=4 50 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O A17912 [0,2,0,0,0,0|2,0,0]=4 51 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P12433 [1,0,0,1,0,0|1,0,1]=4 52 B12R2.1081 CC1NCCC2=C1C=CC=C2 M19306 [1,0,0,1,0,0|1,0,1]=4 53 B12R2.1081 O=C1CCCC2=C1C=CC=N2 T13200 [1,0,0,1,0,0|2,0,0]=4 54 B12R2.1081 O=C1CCCC2=C1C=CN=C2 D19323 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.1081 O=C1CCCC2=C1N=CC=C2 D11093 [1,0,0,1,0,0|2,0,0]=4 56 B12R2.1081 O=C1NN=CC2=CC=CC=C12 P11077 [1,0,0,1,0,0|1,0,1]=4 57 B12R2.1081 O=C1NN=NC2=CC=CC=C12 B16499 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.18 CC1CC2=C(C=CC=C2)N1N M11609 [1,0,0,1,0,0|1,0,0]=3 59 B12R2.18 CC1CC2=C(C=CC=C2)N1N M11610 [1,0,0,1,0,0|1,0,0]=3 60 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O I12742 [1,0,0,1,0,0|1,0,1]=4 61 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 P16661 [0,0,0,1,1,0|1,0,1]=4 62 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 B9580 [0,0,0,1,1,0|2,0,0]=4 63 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 B8035 [0,1,0,1,0,0|1,0,1]=4 64 B14R2.6 C1=CC=C(CC2CCCNC2)C=C1 B8036 [0,1,0,1,0,0|1,0,1]=4 65 B14R2.6 C1=CC=C(CC2COCCN2)C=C1 B12900 [0,1,0,1,0,0|0,0,2]=4 66 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,1,0,1,0,0|0,0,0]=2 67 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 B5889 [0,1,0,1,0,0|0,0,0]=2 68 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,1,0,1,0,0|0,0,0]=2 69 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 B7103 [0,1,0,1,0,0|0,0,0]=2 70 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 B8746 [0,1,0,1,0,0|0,0,1]=3 71 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CS1 B9424 [0,1,0,1,0,0|0,1,0]=3 72 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 B8747 [0,1,0,1,0,0|0,0,1]=3 73 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 B9425 [0,1,0,1,0,0|0,1,0]=3