0 B15R2.1342 CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 S367249 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.958 CNC(=O)C1CC1C2=CC=CC=C2 T199354 [1,0,0,0,0,0|2,0,0]=3 2 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 S353248 [1,0,0,0,0,0|0,0,0]=1 3 B16R2.779 CCOC(=O)C1(OC1C2=CC=CC=C2)C PH001385 [0,1,0,0,0,0|0,0,0]=1 4 B14R1.29 CCCN(C)CC(O)C1=CC=CC=C1 PH014920 [0,0,1,0,0,0|3,0,0]=4 5 B14R1.29 CCOC(=O)CC(=O)C1=NC=CC=C1 CDS019925 [0,0,1,0,0,0|1,0,2]=4 6 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 CDS011316 [0,0,1,0,0,0|1,0,0]=2 7 B14R1.29 CCOC(=O)CC(N)C1=CC=NC=C1 PH016205 [0,0,1,0,0,0|2,0,0]=3 8 B14R1.29 CCOC(=O)CC(O)C1=CC=CC=C1 S521000 [0,0,1,0,0,0|0,0,0]=1 9 B14R1.29 CCOC(=O)CN(C)C1=CC=CC=C1 PH010482 [0,0,1,0,0,0|2,0,0]=3 10 B14R1.29 CCOC(=O)OC(=O)C1=CC=CC=C1 PH008263 [0,0,1,0,0,0|1,0,2]=4 11 B14R1.60 CCNC(=O)N(C)CC1=CC=CC=C1 S775401 [0,0,1,0,0,0|3,0,0]=4 12 B14R1.60 CCOC(=O)C(C)SC1=CC=CC=C1 S799912 [0,0,1,0,0,0|2,0,0]=3 13 B14R1.60 CCOC(=O)C(N)CC1=CC=NC=C1 CDS020927 [0,0,1,0,0,0|2,0,0]=3 14 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 R343404 [0,0,1,0,0,0|3,0,0]=4 15 B14R1.520 CCOC(=O)/C=C/NC1=CC=CC=C1 PH000578 [0,0,1,0,0,0|2,0,1]=4 16 B14R1.520 CCOC(=O)/C=N/NC1=CC=CC=C1 PH003756 [0,0,1,0,0,0|2,0,1]=4 17 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 S349542 [0,0,1,0,0,0|1,0,0]=2 18 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 S380792 [0,0,1,0,0,0|2,0,0]=3 19 B14R1.520 CCOC(=O)CCSC1=CC=CC=C1 PH010286 [0,0,1,0,0,0|2,0,0]=3 20 B14R1.520 CCOC(=O)CCSC1=CC=CC=N1 TMT00642 [0,0,1,0,0,0|3,0,0]=4 21 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CDS003234 [0,0,1,0,0,0|1,0,0]=2 22 B14R1.520 CCOC(=O)CNCC1=CC=CC=N1 PH011724 [0,0,1,0,0,0|2,0,0]=3 23 B14R1.520 CCOC(=O)N/N=C/C1=CC=CC=C1 S953458 [0,0,1,0,0,0|2,0,1]=4 24 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 S366129 [0,0,1,0,0,0|2,0,0]=3 25 B16R2.725 CCOC(=O)C1CC1CC2=CC=CC=C2 S348120 [0,0,0,0,0,1|1,0,0]=2 26 B16R2.789 CCOC(=O)NC1CC1C2=CC=CC=C2 PH007466 [0,0,0,0,0,1|1,0,0]=2 27 B13R1.11 CCN(C)CC(O)C1=CC=CC=C1 PH014915 [1,0,1,0,0,0|2,0,0]=4 28 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 R127094 [1,0,1,0,0,0|1,0,0]=3 29 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [1,0,1,0,0,0|0,0,2]=4 30 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CDS021823 [1,0,1,0,0,0|1,0,0]=3 31 B13R1.11 NNC(=O)CC(O)C1=CC=CC=C1 PH008854 [1,0,1,0,0,0|2,0,0]=4 32 B13R1.42 CCCC(=O)NCC1=CC=CC=C1 R343269 [1,0,1,0,0,0|2,0,0]=4 33 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 PH003746 [1,0,1,0,0,0|1,0,0]=3 34 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CDS003195 [1,0,1,0,0,0|1,0,0]=3 35 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 PH005137 [1,0,1,0,0,0|1,0,0]=3 36 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [1,0,1,0,0,0|1,0,0]=3 37 B13R1.42 CCOC(=O)NNC1=CC=CC=C1 S512680 [1,0,1,0,0,0|2,0,0]=4 38 B13R1.44 CCCCC(O)CC1=CC=CC=C1 S782025 [1,0,1,0,0,0|1,0,1]=4 39 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [1,0,1,0,0,0|2,0,0]=4 40 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [1,0,1,0,0,0|2,0,0]=4 41 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [1,0,1,0,0,0|1,0,0]=3 42 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [1,0,1,0,0,0|2,0,0]=4 43 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [1,0,1,0,0,0|0,0,0]=2 44 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [1,0,1,0,0,0|1,0,0]=3 45 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [1,0,1,0,0,0|2,0,0]=4 46 B13R1.28 OC/C=C/COCC1=CC=CC=C1 T274372 [1,0,1,0,0,0|2,0,0]=4 47 B13R1.718 COC(=O)CCCC1=CC=CC=C1 PH010421 [1,0,1,0,0,0|1,0,0]=3 48 B13R1.718 COC(=O)CCOC1=CC=CC=C1 S363723 [1,0,1,0,0,0|2,0,0]=4 49 B13R1.718 COC(=O)CCSC1=CC=CC=C1 S614378 [1,0,1,0,0,0|2,0,0]=4 50 B13R1.718 COC(=O)CSCC1=CC=CC=C1 S614149 [1,0,1,0,0,0|0,1,0]=3 51 B13R1.718 COC(=O)NNCC1=CC=CC=C1 PH007736 [1,0,1,0,0,0|2,0,0]=4 52 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 CDS022741 [2,0,0,0,0,0|2,0,0]=4 53 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 S354562 [2,0,0,0,0,0|0,0,1]=3 54 B15R1.23 CCOC(=O)CC(N)C1=CC=C(C=C1)C PH015772 [0,1,1,0,0,0|1,0,0]=3 55 B15R1.23 CCOC(=O)CC(N)C1=CC=C(C=C1)Cl PH016707 [0,1,1,0,0,0|1,0,0]=3 56 B15R1.23 CCOC(=O)CS(=O)C1=CC=C(C=C1)Cl T267449 [0,1,1,0,0,0|1,0,1]=4 57 B15R1.24 CCOC(=O)CC(N)C1=CC(=CC=C1)C PH014909 [0,1,1,0,0,0|1,0,0]=3 58 B15R1.24 CCOC(=O)CC(N)C1=CC(=CC=C1)Cl PH018214 [0,1,1,0,0,0|1,0,0]=3 59 B15R1.115 CCCNC(=O)CC(C)C1=CC=CC=C1 R348759 [0,1,1,0,0,0|2,0,0]=4 60 B15R1.578 CCOC(=O)C(Br)C(Br)C1=CC=CC=C1 S616729 [0,1,1,0,0,0|1,0,0]=3 61 B15R1.578 CCOC(=O)[C@H](O)[C@@H](N)C1=CC=CC=C1 PH016268 [0,1,1,0,0,0|1,0,0]=3 62 B15R1.1257 CCOC(=O)C=C(O[TlH2])C1=CC=CC=C1 S443662 [0,1,1,0,0,0|0,0,2]=4 63 B15R1.3722 CCOC(=O)CC(N)C1=CC=CC=C1C PH018213 [0,1,1,0,0,0|1,0,0]=3 64 B15R1.3722 CCOC(=O)CC(N)C1=CC=CC=C1Cl PH015718 [0,1,1,0,0,0|1,0,0]=3 65 B15R1.11 CCOC(=O)CCNC1=CC=C(C=C1)Br PH010618 [0,1,1,0,0,0|2,0,0]=4 66 B15R1.11 CCOC(=O)CCNC1=CC=C(C=C1)Cl PH010337 [0,1,1,0,0,0|2,0,0]=4 67 B15R1.11 CCOC(=O)CNCC1=CC=C(C=C1)Cl PH010757 [0,1,1,0,0,0|1,0,0]=3 68 B15R1.89 CCOC(=O)CNC(=O)C1=CC=CC=C1 S677612 [0,1,1,0,0,0|1,0,1]=4 69 B15R1.89 CCOC(=O)NNC(C)C1=CC=CC=C1 PH000307 [0,1,1,0,0,0|2,0,0]=4 70 B15R1.633 CCOC(=O)NNCC1=CC=CC(=C1)N PH007758 [0,1,1,0,0,0|2,0,0]=4 71 B15R1.809 CCOC(=O)CC(C)NC1=CC=CC=C1 PH010336 [0,1,1,0,0,0|2,0,0]=4 72 B15R1.826 CCOC(=O)[C@@H](N)CCC1=CC=CC=C1 PH014393 [0,1,1,0,0,0|1,0,0]=3 73 B15R1.1252 CCOC(=O)NOCC1=C(C=CC=C1)Cl S893161 [0,1,1,0,0,0|1,0,0]=3 74 B15R2.1190 C/N=C(/OC)\C1CC1C2=CC=CC=C2 T199346 [1,1,0,0,0,0|2,0,0]=4 75 B15R2.1559 COC(=O)[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl PH008588 [1,1,0,0,0,0|1,0,0]=3 76 B17R2.45600 CC(C)(C)OC(=O)[C@@H]1N[C@@H]1C2=CC=CC=C2 BBO000421 [0,2,0,0,0,0|1,0,0]=3 77 B17R2.45600 CC(C)(C)OC(=O)[C@H]1N[C@@H]1C2=CC=CC=C2 BBO000420 [0,2,0,0,0,0|1,0,0]=3 78 B15R2.212 CCN1C(=O)C(C1C2=CC=CC=C2)C S838365 [0,0,1,1,0,0|2,0,0]=4 79 B15R2.325 CC1CC(C(=O)O1)OC2=CC=CC=C2 PH007891 [0,0,1,1,0,0|2,0,0]=4 80 B15R2.2349 CCN1C(=O)CSC1C2=CC=CC=C2 PH001049 [0,0,1,1,0,0|1,1,0]=4 81 B15R3.704 O=C1OCC2(C1C2)C3=CC=CC=N3 T311936 [1,0,0,1,0,0|2,0,0]=4 82 B13R1.47 CCOC(=N)C(Cl)C1=CC=CC=C1 S767735 [0,0,1,0,1,0|2,0,0]=4 83 B13R1.47 CCOC(=O)N(C)C1=CC=CC=C1 S353396 [0,0,1,0,1,0|2,0,0]=4 84 B13R1.47 CCOC(=O)N(O)C1=CC=CC=C1 S857505 [0,0,1,0,1,0|1,0,0]=3 85 B15R1.778 CCOC(=O)CCNCC1=CC=NC=C1 PH014279 [0,0,1,0,0,1|2,0,0]=4 86 B15R1.778 CCOC(=O)CSCCC1=CC=CC=C1 PH008303 [0,0,1,0,0,1|0,1,0]=3 87 B15R1.778 CCOC(=O)NCCCC1=CC=CC=C1 PH008019 [0,0,1,0,0,1|1,0,0]=3 88 B15R1.778 CCOC(=O)NNCCC1=CC=CC=C1 PH007776 [0,0,1,0,0,1|2,0,0]=4 89 B17R2.172 CCOC(=O)C1=NN=C(O1)C2=CC=CC=C2 JRD0442 [0,0,0,0,0,2|0,0,2]=4 90 B17R2.172 CCOC(=O)C1=NOC(=C1)C2=CC=CC=C2 JRD0219 [0,0,0,0,0,2|0,0,2]=4