0 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [1,0,0,0,0,0|1,0,2]=4 1 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [1,0,0,0,0,0|0,0,2]=3 2 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [1,0,0,0,0,0|0,0,2]=3 3 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [1,0,0,0,0,0|1,0,1]=3 5 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 PI-43827 [0,1,0,0,0,0|2,0,1]=4 6 B15R2.325 CC1=NC(=CC2=CC=CC=C2)C(=O)O1 PI-33805 [0,0,0,1,0,0|1,0,1]=3 7 B15R2.327 CC1(C(NC(=O)O1)C2=CC=CC=C2)C PI-42030 [0,0,0,1,0,0|1,0,1]=3 8 B15R2.327 CC1(C(NC(=O)O1)C2=CC=CC=C2)C PI-42031 [0,0,0,1,0,0|1,0,1]=3 9 B15R2.1668 CC(=O)OC1=CC2=CC=CC=C2C=C1 PI-26164 [0,0,0,1,0,0|2,0,1]=4 10 B15R2.1668 CC(C)CC1=CC2=C(C=C1)N=CC=C2 PI-16452 [0,0,0,1,0,0|3,0,0]=4 11 B13R1.348 CC(C)NC(=S)NC1=CC=CC=C1 PI-19151 [0,0,0,0,1,0|2,1,0]=4 12 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N PI-14323 [0,0,0,0,1,0|2,0,1]=4 13 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)O PI-42713 [0,0,0,0,1,0|2,0,1]=4 14 B13R1.351 CC(C(=O)OCc1ccccc1)N PI-37613 [0,0,0,0,1,0|2,0,1]=4 15 B13R1.351 O=C([C@H](N)C)OCc1ccccc1 PI-18535 [0,0,0,0,1,0|2,0,1]=4 16 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [2,0,0,0,0,0|0,0,2]=4 17 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [2,0,0,0,0,0|1,0,1]=4 18 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 PI-22099 [1,1,0,0,0,0|1,0,1]=4 19 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 PI-36978 [1,1,0,0,0,0|0,0,1]=3 20 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 PI-31836 [1,1,0,0,0,0|0,0,2]=4 21 B14R1.29 CCOC(=O)C[C@H](N)c1ccccc1 PI-31837 [1,1,0,0,0,0|0,0,2]=4 22 B14R1.32 CCOC(=O)COC1=CC(=CC=C1)Cl PI-50553 [1,1,0,0,0,0|1,0,1]=4 23 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N PI-30470 [1,1,0,0,0,0|0,0,2]=4 24 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 PI-44477 [1,1,0,0,0,0|0,0,1]=3 25 B14R1.156 O=C(NCCO)\C=C\C1=CC=CC=C1 PI-42736 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C PI-32828 [1,1,0,0,0,0|0,0,0]=2 27 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)N PI-31211 [1,1,0,0,0,0|0,0,0]=2 28 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PI-50268 [1,1,0,0,0,0|1,0,1]=4 29 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)F PI-50276 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)F PI-38867 [1,1,0,0,0,0|0,0,0]=2 31 B14R1.502 CCOC(=O)\N=C\c1ccc(Cl)cc1 PI-23173 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.502 CCOC(=O)\N=C\c1ccc(F)cc1 PI-23487 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.598 CCOC(=O)COc1ccccc1C PI-29982 [1,1,0,0,0,0|1,0,1]=4 34 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 PI-40005 [0,1,0,0,1,0|2,0,0]=4 35 B14R1.433 O=C(Nc1ccccn1)OC(C)(C)C PI-36523 [0,1,0,0,1,0|2,0,0]=4 36 B14R1.698 CC(C)CC(OC1=CC=C(C)C=C1)=O PI-18677 [0,1,0,0,1,0|2,0,0]=4 37 B14R1.5978 CC(C)OC(=O)NC1=CC(=CC=C1)Cl PI-31756 [0,1,0,0,1,0|1,0,0]=3 38 B16R1.7422 CC(C)(C)OC(=O)NCC1=CC=CC=C1Br PI-33958 [0,2,0,0,0,0|1,0,1]=4 39 B16R1.12572 N[C@H](C(=O)OC(C)(C)C)Cc1ccccc1 PI-31070 [0,2,0,0,0,0|0,0,2]=4 40 B16R1.12572 O=C(OC(C)(C)C)[C@@H](O)CC1=CC=CC=C1 PI-38133 [0,2,0,0,0,0|0,0,2]=4 41 B16R1.1040 O=C(OC(C)(C)C)NCc1ccc(cc1)N PI-22479 [0,2,0,0,0,0|1,0,1]=4 42 B14R2.598 C1=CC=C(C=C1)C2=CC(=O)OC2=O PI-17953 [1,0,0,1,0,0|1,0,1]=4 43 B14R2.31359 CC(C)C1=CC=CC2=CC=CC=C21 PI-18760 [1,0,0,1,0,0|1,0,0]=3 44 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)N PI-25560 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)O PI-18216 [1,0,0,1,0,0|2,0,0]=4 46 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)O PI-42551 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.31359 CN(C)C1=C2C=CC=CC2=CC=C1 PI-13031 [1,0,0,1,0,0|2,0,0]=4 48 B14R2.31359 C[C@@H](N)c1cccc2ccccc12 PI-18515 [1,0,0,1,0,0|2,0,0]=4 49 B14R2.31359 C[C@@H](O)C1=CC=CC2=C1C=CC=C2 PI-42553 [1,0,0,1,0,0|2,0,0]=4 50 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N PI-18066 [1,0,0,1,0,0|2,0,0]=4 51 B14R2.260 CC1C(=O)OC(=N1)C2=CC=CC=C2 PI-24662 [0,0,0,1,1,0|2,0,0]=4 52 B14R2.260 CC1CN(NC1=O)C2=CC=CC=C2 PI-14300 [0,0,0,1,1,0|2,0,0]=4 53 B14R2.781 CC(C)C1=CC2=C(C=C1)N=CC=C2 PI-16453 [0,0,0,1,1,0|2,0,0]=4 54 B14R2.781 CC(C)C1=CC2=CC=CC=C2C=C1 PI-25313 [0,0,0,1,1,0|1,0,0]=3 55 B14R2.781 CC(C1=CC2=CC=CC=C2C=C1)N PI-48836 [0,0,0,1,1,0|2,0,0]=4 56 B14R2.781 CC(C1=CC2=CC=CC=C2C=C1)O PI-18428 [0,0,0,1,1,0|2,0,0]=4 57 B14R2.781 CC(C1=CC2=CC=CC=C2C=C1)O PI-25544 [0,0,0,1,1,0|2,0,0]=4 58 B14R2.781 CC(C1=CC2=CC=CC=C2C=C1)O PI-32012 [0,0,0,1,1,0|2,0,0]=4 59 B14R2.781 CC(C1=CC2=CC=NC=C2C=C1)C PI-46564 [0,0,0,1,1,0|2,0,0]=4 60 B14R2.781 CN(C)C1=CC2=CC=CC=C2C=C1 PI-18383 [0,0,0,1,1,0|2,0,0]=4 61 B14R2.781 C[C@H](C1=CC2=CC=CC=C2C=C1)N PI-48837 [0,0,0,1,1,0|2,0,0]=4 62 B16R2.2903 CC1(C(NC(=O)O1)CC2=CC=CC=C2)C PI-42028 [0,0,0,1,0,1|0,0,2]=4 63 B16R2.2903 CC1(C(NC(=O)O1)CC2=CC=CC=C2)C PI-42029 [0,0,0,1,0,1|0,0,2]=4 64 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [1,0,0,0,1,0|1,0,1]=4 65 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [1,0,0,0,1,0|1,0,1]=4 66 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [1,0,0,0,1,0|1,0,1]=4 67 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [1,0,0,0,1,0|1,0,0]=3 68 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [0,0,0,0,2,0|0,0,0]=2 69 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [0,0,0,0,2,0|2,0,0]=4 70 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [0,0,0,0,2,0|2,0,0]=4 71 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 PI-48792 [1,0,0,0,0,1|0,0,2]=4 72 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 PI-50531 [1,0,0,0,0,1|0,0,2]=4