0 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 PI-22099 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 PI-36978 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 PI-31836 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.29 CCOC(=O)C[C@H](N)c1ccccc1 PI-31837 [0,0,0,0,0,0|1,0,1]=2 4 B13R1.11 COC(=O)CC(=O)C1=CN=CC=C1 PI-24484 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [1,0,0,0,0,0|0,0,2]=3 7 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [1,0,0,0,0,0|0,0,1]=2 8 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [1,0,0,0,0,0|1,0,0]=2 10 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(C=C1)Br PI-22524 [0,1,0,0,0,0|0,0,0]=1 11 B15R1.23 CCOC(=O)CC(=O)C1=CC=C(C=C1)F PI-50629 [0,1,0,0,0,0|0,0,0]=1 12 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)C PI-14692 [0,1,0,0,0,0|0,0,0]=1 13 B15R1.23 CCOC(=O)CC(=O)c1ccc(cc1)Cl PI-38744 [0,1,0,0,0,0|0,0,0]=1 14 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)Br PI-22523 [0,1,0,0,0,0|0,0,0]=1 15 B15R1.24 CCOC(=O)CC(=O)c1cccc(c1)C PI-14691 [0,1,0,0,0,0|0,0,0]=1 16 B15R1.807 CCOC(=O)CS(=O)(=O)C1=CC=CC=C1 PI-46927 [0,1,0,0,0,0|1,0,0]=2 17 B15R1.947 COC(=O)C(=O)CC(=O)C1=CC=CC=C1 PI-18319 [0,1,0,0,0,0|2,0,0]=3 18 B15R1.3722 CCOC(=O)CC(=O)C1=CC=CC=C1F PI-44583 [0,1,0,0,0,0|0,0,0]=1 19 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1Br PI-22522 [0,1,0,0,0,0|0,0,0]=1 20 B15R1.3722 CCOC(=O)CC(=O)c1ccccc1C PI-14690 [0,1,0,0,0,0|0,0,0]=1 21 B15R2.395 C1CSC(=S)N1C(=O)C2=CC=CC=C2 PI-35145 [0,0,0,1,0,0|1,2,0]=4 22 B13R1.33 CCOC(=O)CC(=O)C1=CC=CS1 PI-14686 [0,0,0,0,1,0|1,0,0]=2 23 B13R1.33 CCOC(=O)CC(=O)c1ccco1 PI-17873 [0,0,0,0,1,0|1,0,0]=2 24 B13R1.33 CCOC(=O)CC(=O)c1ccoc1 PI-17875 [0,0,0,0,1,0|1,0,0]=2 25 B13R1.47 CCOC(=O)C(=C)C1=CC=CC=C1 PI-46945 [0,0,0,0,1,0|1,0,0]=2 26 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 PI-28187 [0,0,0,0,1,0|0,0,0]=1 27 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)Br PI-26529 [0,0,0,0,1,0|1,0,1]=3 28 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N PI-17842 [0,0,0,0,1,0|1,0,1]=3 29 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N PI-22047 [0,0,0,0,1,0|1,0,1]=3 30 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-47031 [0,0,0,0,1,0|0,0,2]=3 31 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-50235 [0,0,0,0,1,0|0,0,2]=3 32 B15R1.89 CCOC(=O)\C=C\C(=O)c1ccccc1 PI-10938 [0,0,0,0,0,1|0,0,1]=2 33 B15R1.809 CCOC(=O)C=C(C)NC1=CC=CC=C1 PI-19786 [0,0,0,0,0,1|1,0,1]=3 34 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [2,0,0,0,0,0|0,0,1]=3 35 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [2,0,0,0,0,0|0,0,1]=3 37 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.107 C1=CC=C(C=C1)C(=O)C[N+](=O)[O-] PI-21378 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-18757 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.107 C1=CC=C(C=C1)C(CC(=O)O)N PI-32818 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.107 CC(c1ccccc1)CC(=O)O PI-25588 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23896 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 PI-23897 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.107 N[C@H](c1ccccc1)CC(=O)O PI-18530 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18173 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18923 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.107 OC(=O)C[C@@H](N)c1ccccc1 PI-18924 [2,0,0,0,0,0|1,0,1]=4 48 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)F PI-50497 [1,1,0,0,0,0|0,0,0]=2 49 B14R1.10 COC(=O)CC(=O)c1ccc(Br)cc1 PI-22527 [1,1,0,0,0,0|0,0,0]=2 50 B14R1.11 CC1=CC(=CC=C1)C(=O)CC(=O)OC PI-14694 [1,1,0,0,0,0|0,0,0]=2 51 B14R1.11 COC(=O)CC(=O)c1cccc(Br)c1 PI-22526 [1,1,0,0,0,0|0,0,0]=2 52 B14R1.415 FC(C(=O)CC(=O)c1ccccc1)F PI-34812 [1,1,0,0,0,0|1,0,0]=3 53 B14R1.587 COC(=O)CC(=O)c1ccccc1Br PI-22525 [1,1,0,0,0,0|0,0,0]=2 54 B14R1.741 COC(=O)CS(=O)(=O)C1=CC=CC=C1 PI-24335 [1,1,0,0,0,0|1,0,0]=3 55 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)O PI-12828 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.32 CCOC(=O)COC1=CC(=CC=C1)Cl PI-50553 [1,1,0,0,0,0|1,0,0]=3 57 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N PI-30470 [1,1,0,0,0,0|0,0,1]=3 58 B14R1.156 C=CCOC(=O)C=CC1=CC=CC=C1 PI-44477 [1,1,0,0,0,0|0,0,2]=4 59 B14R1.156 O=C(NCCO)\C=C\C1=CC=CC=C1 PI-42736 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C PI-32828 [1,1,0,0,0,0|0,0,1]=3 61 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)N PI-31211 [1,1,0,0,0,0|0,0,1]=3 62 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PI-50268 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)F PI-50276 [1,1,0,0,0,0|1,0,0]=3 64 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)F PI-38867 [1,1,0,0,0,0|0,0,1]=3 65 B14R1.502 CCOC(=O)\N=C\c1ccc(Cl)cc1 PI-23173 [1,1,0,0,0,0|1,0,0]=3 66 B14R1.502 CCOC(=O)\N=C\c1ccc(F)cc1 PI-23487 [1,1,0,0,0,0|1,0,0]=3 67 B14R1.598 CCOC(=O)COc1ccccc1C PI-29982 [1,1,0,0,0,0|1,0,0]=3 68 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)Cl PI-28423 [0,1,0,0,1,0|0,0,0]=2 69 B14R1.35 CCOC(=O)C(C1=CC=C(C=C1)O)O PI-19841 [0,1,0,0,1,0|0,0,2]=4 70 B14R1.35 O=C(OCC)C(C1=CC=C(Br)C=C1)=O PI-40030 [0,1,0,0,1,0|0,0,0]=2 71 B14R1.36 CCOC(=O)C(=O)C1=CC(=CC=C1)Cl PI-28696 [0,1,0,0,1,0|0,0,0]=2 72 B14R1.604 CCC(C1=CC=CC=C1)C(=O)OCC PI-50256 [0,1,0,0,1,0|1,0,1]=4 73 B16R1.700 C1=CC=C(C=C1)C(=O)NCC(=O)NCCO PI-19862 [0,1,0,0,0,1|1,0,0]=3 74 B16R1.955 CCOC(=O)CC(=O)CC1=CC=C(C=C1)C PI-26808 [0,1,0,0,0,1|0,0,0]=2 75 B16R1.956 CCOC(=O)CC(=O)CC1=CC=CC(=C1)C PI-26937 [0,1,0,0,0,1|0,0,0]=2 76 B16R1.1162 COC(=O)C(=O)C(C(=O)C1=CC=CC=C1)Br PI-18728 [0,2,0,0,0,0|2,0,0]=4 77 B14R2.260 CC1C(=O)OC(=N1)C2=CC=CC=C2 PI-24662 [1,0,0,1,0,0|2,0,0]=4 78 B14R2.114 O=C(C1CCCC1)C2=CC=CC=C2 PI-42718 [1,0,0,1,0,0|1,0,1]=4 79 B14R2.510 CCC=C1C2=CC=CC=C2C(=O)O1 PI-27256 [1,0,0,1,0,0|2,0,0]=4 80 B14R2.19306 CCN1C2=CC=CC=C2C(=O)C1=O PI-50649 [0,0,0,1,1,0|1,0,0]=3 81 B16R2.734 CCOC(=O)CC1=NC2=CC=CC=C2S1 PI-19397 [0,0,0,1,0,1|0,1,0]=3 82 B16R2.734 CCOC(=O)Cc1nc2ccccc2[nH]1 PI-36410 [0,0,0,1,0,1|1,0,0]=3 83 B16R2.734 O=C(OCC)CC=1NC2=C(C1)C=CC=C2 PI-46720 [0,0,0,1,0,1|1,0,0]=3 84 B16R2.757 CCOC(=O)C1=C(C2=CC=CC=C2N1)Br PI-21522 [0,1,0,1,0,0|1,0,1]=4 85 B16R2.757 CCOC(=O)C1=C(C2=CC=CC=C2O1)C PI-17478 [0,1,0,1,0,0|1,0,1]=4 86 B16R2.757 CCOC(=O)C1=C(C2=CC=CC=C2O1)N PI-26614 [0,1,0,1,0,0|1,0,1]=4 87 B16R2.757 CCOC(=O)c1[nH]c2c(c1N)cccc2 PI-38405 [0,1,0,1,0,0|1,0,1]=4 88 B16R2.5 CCOC(=O)CC1=CN=C2N1C=CC=C2 PI-39804 [0,1,0,1,0,0|2,0,0]=4 89 B16R2.5 CCOC(=O)CC1=CNC2=CC=CC=C21 PI-27909 [0,1,0,1,0,0|1,0,0]=3 90 B12R1.34 CC(C1=CC=CC=C1)C(=O)OC PI-50499 [1,0,0,0,1,0|1,0,1]=4 91 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 PI-11500 [1,0,0,0,1,0|0,0,0]=2 92 B12R1.34 COC(=O)C(C1=CC=CC=C1)Cl PI-12504 [1,0,0,0,1,0|1,0,1]=4 93 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31834 [1,0,0,0,1,0|0,0,2]=4 94 B12R1.34 COC(=O)C(C1=CC=CC=C1)O PI-31835 [1,0,0,0,1,0|0,0,2]=4 95 B12R1.34 COC(=O)[C@H](c1ccccc1)N PI-13398 [1,0,0,0,1,0|1,0,1]=4 96 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [1,0,0,0,1,0|1,0,0]=3 97 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [1,0,0,0,1,0|1,0,0]=3 98 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [1,0,0,0,1,0|1,0,0]=3 99 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [1,0,0,0,1,0|1,0,0]=3 100 B12R1.32 O=C(OCC)CC1=NC=CC=N1 PI-46779 [1,0,0,0,1,0|2,0,0]=4 101 B12R1.51 CCOC(=O)CCC1=CC=CO1 PI-19017 [1,0,0,0,1,0|1,0,1]=4 102 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 PI-14674 [1,0,0,0,0,1|0,0,0]=2 103 B14R1.520 CCOC(=O)CCNC1=CC=CC=N1 PI-44371 [1,0,0,0,0,1|1,0,1]=4 104 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 PI-48792 [1,0,0,0,0,1|0,0,1]=3 105 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 PI-50531 [1,0,0,0,0,1|0,0,1]=3 106 B14R1.100 CCOC(=O)CNC(=O)C1=CC=CS1 PI-13961 [0,0,0,0,1,1|1,0,0]=3 107 B16R1.1570 CCOC(=O)CC(=O)OCC1=CC=CC=C1 PI-18549 [0,0,0,0,0,2|0,0,0]=2 108 B16R1.1570 O=C(OCC)CC(NCC1=CC=CC=C1)=O PI-40765 [0,0,0,0,0,2|0,0,0]=2