0 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 PI-32071 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.818 C\C(N)=C\C(OCC1=CC=CC=C1)=O PI-46645 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.818 O=C(CC(O)=O)OCC1=CC=CC=C1 PI-18524 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [1,0,0,0,0,0|2,0,1]=4 5 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.42 NCCC(=O)OCc1ccccc1 PI-18422 [1,0,0,0,0,0|1,0,0]=2 9 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 PI-43827 [0,1,0,0,0,0|1,0,0]=2 10 B15R1.3678 CC(C(C(=O)OCC1=CC=CC=C1)N)O PI-27955 [0,1,0,0,0,0|1,0,0]=2 11 B15R2.327 CC1(C(NC(=O)O1)C2=CC=CC=C2)C PI-42030 [0,0,0,1,0,0|2,0,0]=3 12 B15R2.327 CC1(C(NC(=O)O1)C2=CC=CC=C2)C PI-42031 [0,0,0,1,0,0|2,0,0]=3 13 B13R1.348 C1=CC=C(C=C1)OC(=O)CC(=O)O PI-18496 [0,0,0,0,1,0|2,0,1]=4 14 B13R1.348 CC(C)NC(=S)NC1=CC=CC=C1 PI-19151 [0,0,0,0,1,0|2,1,0]=4 15 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N PI-14323 [0,0,0,0,1,0|1,0,0]=2 16 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)O PI-42713 [0,0,0,0,1,0|1,0,0]=2 17 B13R1.351 CC(C(=O)OCc1ccccc1)N PI-37613 [0,0,0,0,1,0|1,0,0]=2 18 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C PI-40376 [0,0,0,0,1,0|0,0,2]=3 19 B13R1.351 O=C([C@H](N)C)OCc1ccccc1 PI-18535 [0,0,0,0,1,0|1,0,0]=2 20 B15R1.5919 C1=CC=C(C=C1)COC(=O)NCC(=O)N PI-43908 [0,0,0,0,0,1|2,0,1]=4 21 B15R1.5919 C1=CC=C(C=C1)COC(=O)NCC(=O)O PI-31025 [0,0,0,0,0,1|2,0,1]=4 22 B15R1.5919 O=C(NCC(=S)N)OCc1ccccc1 PI-28581 [0,0,0,0,0,1|2,0,1]=4 23 B12R1.8 C1=CC=C(C=C1)COCCCBr PI-19703 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.8 C1=CC=C(C=C1)COCCCO PI-32367 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [2,0,0,0,0,0|0,0,2]=4 31 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [2,0,0,0,0,0|2,0,0]=4 35 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 PI-31836 [1,1,0,0,0,0|2,0,0]=4 36 B14R1.29 CCOC(=O)C[C@H](N)c1ccccc1 PI-31837 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N PI-30470 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.156 C1=CC=C(C=C1)COC(=O)NCC#N PI-17937 [1,1,0,0,0,0|1,0,1]=4 39 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCN PI-47088 [1,1,0,0,0,0|1,0,0]=3 40 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCO PI-43203 [1,1,0,0,0,0|1,0,0]=3 41 B14R1.156 O=C(OCC1=CC=CC=C1)NCCBr PI-37289 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 PI-19023 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.698 CC(C)CC(OC1=CC=C(C)C=C1)=O PI-18677 [0,1,0,0,1,0|0,0,0]=2 44 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 PI-14674 [0,1,0,0,1,0|1,0,1]=4 45 B14R1.5978 CC(C)OC(=O)NC1=CC(=CC=C1)Cl PI-31756 [0,1,0,0,1,0|2,0,0]=4 46 B16R1.1343 COC(=O)CNC(=O)OCC1=CC=CC=C1 PI-43442 [0,1,0,0,0,1|1,0,1]=4 47 B16R1.6944 CC(C)CC(C(=O)OCC1=CC=CC=C1)N PI-12754 [0,1,0,0,0,1|0,0,0]=2 48 B16R1.7422 CC(C)(C)OC(=O)NCC1=CC=CC=C1Br PI-33958 [0,2,0,0,0,0|2,0,0]=4 49 B16R1.12572 N[C@H](C(=O)OC(C)(C)C)Cc1ccccc1 PI-31070 [0,2,0,0,0,0|2,0,0]=4 50 B16R1.12572 O=C(OC(C)(C)C)[C@@H](O)CC1=CC=CC=C1 PI-38133 [0,2,0,0,0,0|2,0,0]=4 51 B16R1.1570 CCOC(=O)CC(=O)OCC1=CC=CC=C1 PI-18549 [0,2,0,0,0,0|1,0,1]=4 52 B16R1.1040 O=C(OC(C)(C)C)NCc1ccc(cc1)N PI-22479 [0,2,0,0,0,0|2,0,0]=4 53 B14R2.260 CC1C(=O)OC(=N1)C2=CC=CC=C2 PI-24662 [0,0,0,1,1,0|1,0,1]=4 54 B14R2.260 CC1CN(NC1=O)C2=CC=CC=C2 PI-14300 [0,0,0,1,1,0|2,0,0]=4 55 B16R2.3322 C1C(CC1=O)C(=O)OCC2=CC=CC=C2 PI-48952 [0,0,0,1,0,1|1,0,1]=4 56 B16R2.3322 C1C(NC1=O)C(=O)OCC2=CC=CC=C2 PI-44946 [0,0,0,1,0,1|1,0,1]=4 57 B16R2.3322 NC1CN(C1)C(=O)OCc2ccccc2 PI-36350 [0,0,0,1,0,1|1,0,0]=3 58 B16R2.3322 OC1CN(C1)C(=O)OCc2ccccc2 PI-36046 [0,0,0,1,0,1|1,0,0]=3 59 B16R2.2903 CC1(C(NC(=O)O1)CC2=CC=CC=C2)C PI-42028 [0,0,0,1,0,1|2,0,0]=4 60 B16R2.2903 CC1(C(NC(=O)O1)CC2=CC=CC=C2)C PI-42029 [0,0,0,1,0,1|2,0,0]=4 61 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [1,0,0,0,1,0|0,0,0]=2 62 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [1,0,0,0,1,0|2,0,0]=4 63 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [1,0,0,0,1,0|2,0,0]=4 64 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [1,0,0,0,1,0|2,0,0]=4 65 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 PI-42639 [1,0,0,0,1,0|1,0,0]=3 66 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,0,0,0,2,0|0,0,2]=4 67 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 PI-13338 [0,0,0,0,2,0|2,0,0]=4 68 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [0,0,0,0,2,0|1,0,0]=3 69 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [0,0,0,0,2,0|1,0,0]=3 70 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [0,0,0,0,2,0|1,0,0]=3 71 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 PI-48792 [1,0,0,0,0,1|2,0,0]=4 72 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 PI-50531 [1,0,0,0,0,1|1,0,0]=3